http://science.energy.gov/discovery-and-innovation/highlights/The Office of Science is the single largest supporter of basic research in the physical sciences in the United States, providing more than 40 percent of total funding for this vital area of national importance. It oversees - and is the principal federal funding agency of - the Nation's research programs in high-energy physics, nuclear physics, and fusion energy sciences.en{4DABE467-3780-4FDA-88D2-7B004B0ECE96}http://science.energy.gov/bes/highlights/2013/bes-2013-02-a/<img src='/~/media/C7B16C93B72C4DA895FFCD6323806573.ashx' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Exploiting the self-organizing nature of atoms to block heat transfer and improve thermal-to-electrical energy conversion.Fri, 10 May 2013 11:13:34 -0400<p>Like a coach in sports, making the right substitution can make the difference between winning and losing. Using a combination of theory and simulations, the researchers at the University of Michigan EFRC predicted that replacing some of the antimony (Sb) atoms in the skutterudite mineral, cobalt antimonide (CoSb₃), would disrupt the atomic vibrations that play a crucial role in transferring heat through the material &ndash; but only if the replacement atoms took up specific atomic locations in the crystal structure. Quantum mechanical calculations were used to predict that entire 4-member rings of Sb atoms (Sb4) would be replaced by cross-diagonal rings of Ge₂Te₂ due to the natural, atomic ordering tendencies of alloying elements. The consequences of this substitution order on the atomic vibrations responsible for heat transfer was verified by molecular dynamic simulations and then experimentally demonstrated by measuring the reduction in the thermal conductivity for the substituted material CoSb_3(1-x)Ge_1.5xTe_1.5x. This approach and resulting insights can be extended to other families of thermoelectric materials to reduce the thermal conductivity of these materials and increase the efficiency of heat-to-electricity conversion for thermoelectric devices.</p>{C0AB145B-3B67-4B29-987A-C745A176A198}http://science.energy.gov/bes/highlights/2013/bes-2013-02-b/<img src='/~/media/DCE164BCA2684EA89EDA0C6A53141472.ashx' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Nano-porous metal oxide coatings on carbon fiber dramatically enhance the electrical storage capacity for supercapacitors.Fri, 10 May 2013 11:13:35 -0400<p>Pseudocapacitors are supercapacitors that store electrical charge both like a capacitor (with the normal electrostatic double layer of charges at the electrode-electrolyte interface) and like a battery (with multiple chemical reaction mechanisms involving charge transport across the electrode-electrolyte interface).&nbsp; Metal oxides such as cobalt or manganese oxide (C_o3O4 or MnO₂) store pseudocapacitive charge via metal ions which change oxidation state (e.g., Mn⁺³ <span style="line-height: 115%; font-family: symbol; color: #363636; font-size: 10pt;">&Ucirc;</span> Mn⁺⁴) as a result of the charge transfer.&nbsp;Researchers at the Energy Frontier Research Center on Heterogeneous Functional Materials, the &ldquo;HeteroFoaM Center,&rdquo; have discovered how the relative sizes, shapes, atomic arrangements and interfaces of the materials in psuedocapacitors control the amount of charge that can be stored and even the mechanisms of charge storage.&nbsp;In fact, the electrochemical storage properties are not limited by the properties of the materials and can be radically different if the &ldquo;heterogeneity&rdquo; of the composite material is understood and optimized. For example, as-deposited MnO₂ on conductive carbon fiber showed high specific capacitance (333 F/g) due to psuedocapacitance of the manganese ions, but conversion of the material through heat treatment to a different heterogeneous arrangement &ndash; a mixed-valence, nano-porous MnOx coating &ndash; dramatically enhanced storage capacity, achieving very high specific capacitance (~2,500 F/g) while maintaining excellent power density (~98 kW/kg at ~122.7 A/g).</p>{A1F1F429-A46A-4970-9BC3-853158E1144B}http://science.energy.gov/bes/highlights/2013/bes-2013-02-c/<img src='/~/media/214E9D85FBC64973AC4D23F2E487EF31.ashx' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Charge-discharge chemistry for lithium ion batteries elucidated by theoretical calculations.Fri, 10 May 2013 11:13:35 -0400<p>Ethylene carbonate (EC) electrolytes and manganese spinel (Li_xMn₂O₄) positive electrodes are commonly used in lithium ion batteries.&nbsp;A comparison of the electrochemical potentials of EC and bulk Li_xMn₂O₄ suggests that decomposition of the electrolyte would not occur directly by electrons being transferred from EC to the electrode material, but the surface of a solid can have very different properties than its interior bulk.&nbsp;Researchers at Sandia National Laboratories, as part of the Nanostructures for Electrical Energy Storage (NEES) EFRC, have completed detailed coupled simulations of the molecules of the electrolyte and the surface of the positive electrode showing that the oxygen atoms on a Li_0.6Mn₂O₄ surface can deform and weakly bind the EC molecule when it is near the electrode surface. This initial interaction does not involve the transfer of electrons (i.e., oxidation) but does enable breaking of the carbon-oxygen bond and subsequent molecular rearrangements that result in two electrons and a proton being transferred to the electrode surface.&nbsp; Therefore, a predicted series of five steps breaks down the electrolyte molecule, leaving the oxidized EC fragment still bound to the now acidified electrode surface.&nbsp; Acidification of positive electrodes is widely believed to initiate corrosion of the electrode surface and possible dissolution of manganese atoms.&nbsp;The proposed acidification mechanism&nbsp;illustrates the importance of modeling the electrolyte and the electrode surface together.</p>{C6029213-9182-4952-B478-6CF336036F65}http://science.energy.gov/bes/highlights/2013/bes-2013-02-d/<img src='/~/media/8E64780517404923909574AF5FA3CDB3.ashx' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>First observation of key intermediate state in the conversion of one photon to two electrons.Fri, 10 May 2013 11:13:36 -0400<p>Multiple exciton generation (MEG) refers to the creation of two or more pairs of charge carriers (electron-hole pairs known as excitons) from the absorption of one photon. Although MEG holds great promise for improving the efficiency of organic solar cells, it has proven challenging to implement.&nbsp;Using a model system based on either pentacene or tetracene molecules deposited upon carbon fullerene bilayers, EFRC scientists have used femtosecond electron spectroscopy to directly observe a new multiexciton (ME) state ensuing from the absorption of a single photon in the molecular layer.&nbsp;Data for both systems indicate that the ME state can decay into two separate excitons and that one electron can be transferred into the fullerene layer from each exciton.&nbsp;For pentacene, two electrons can be directly transferred from the ME state to an adjacent fullerene layer on a sub-picosecond time scale, which is much faster than electron transfer from either of the two separate excitons from ME decay. In this mechanism, losses in photovoltaic efficiency due to unproductive decay or recombination of individual excitons can be avoided by directly extracting multiple electrons from the ME state at the fullerene surface.&nbsp;Investigation of these processes has generated a new set of design principles for harvesting energy through multiple exciton generation in molecular systems.</p>{05856B6A-AE72-474E-953F-A3832973C074}http://science.energy.gov/bes/highlights/2013/bes-2013-02-e/<img src='/~/media/330C7EBF533F46ACA50A13DC4DBE1D72.ashx' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Observation of wavelike heat conduction reveals new possibilities for tailoring thermal transport through wave effects.Fri, 10 May 2013 11:13:36 -0400<p>In many materials, thermal energy is transported by vibrations of the atomic lattice known as phonons. Similar to photons of light, these lattice vibrations can be treated as waves, but in most materials the phases of the phonon waves quickly randomize after interacting among themselves, with any imperfection or with any interface between two materials. This phase randomization means that the transport of heat becomes incoherent and difficult to predict or control. In this study, heat transport through superlattices (SL) made up of periodic stacks of semiconductor thin films was studied both experimentally and theoretically with a surprising result.&nbsp;A novel experimental approach indicated that the wave properties of some heat-carrying phonons &ndash; and their coherence &ndash; could be maintained even with the presence of several material interfaces. Theoretical studies supported the experimental conclusions that the low frequency phonons traveled through the SL stack in coherent fashion as if the layered structure was a homogeneous material. This scientific discovery and modeling capability opens new pathways for controlling heat transfer through materials by tailoring the lattice waves at the nanostructure scale.</p>{F2744DB8-8FA0-490B-A031-44FEEA748952}http://science.energy.gov/bes/highlights/2013/bes-2013-01-a/<img src='/~/media/1F6D9519A1064CCAA7E18958908C5C00.ashx' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>New computational technique creates high resolution maps of subsurface CO₂ after geologic sequestration.Fri, 10 May 2013 11:13:34 -0400<p>A powerful new &ldquo;seismic inversion&rdquo; technique&nbsp;&nbsp;uses time-lapse seismic data to make high resolution images useful for evaluating subsurface migration of CO₂ following geologic sequestration. Migration of CO₂ alters the mechanical properties of porous rocks which can be monitored from high frequency rock property variations embedded in the seismic amplitude data. The technique utilizes a dictionary of seismic &ldquo;wavelets&rdquo;, information derived from seismic data before CO₂ injection, and an optimization algorithm to identify the set of common wavelets that best describe the variations in seismic amplitudes observed pre- and post- CO₂ injection. The University of Texas-Austin team applied it to investigate the migration pathways of the CO₂ plume at the Cranfield, Mississippi field demonstration site where such time-lapse surface seismic surveys are available. The raw seismic data showed only a weak signature of CO₂ injection. However, &ldquo;seismic inversion&rdquo; of the data enhanced the information content, showing that the injected CO₂ migrated mostly along the top of the layer of rock into which it was injected, but there was no leakage through the reservoir seals. This technique affords an effective way to monitor potential leakage of CO₂ plumes at various reservoirs.</p>{4F6D157B-62D3-4F1D-9FE8-CDF05730AE81}http://science.energy.gov/bes/highlights/2012/bes-2012-12-b/<img src='/~/media/5A9D9A8DF1DF45FE8F45A41AC6B245E6.ashx' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>A simple, robust catalyst is capable of both water oxidation and carbon dioxide splitting, two difficult yet key reactions for solar energy conversion.Fri, 10 May 2013 11:21:36 -0400<p>In the field of artificial photosynthesis, solar fuels, generated by splitting water into hydrogen and oxygen or reducing carbon dioxide to carbon monoxide, methanol, or hydrocarbons, have great potential as alternative energy sources.&nbsp; Such fuels could further solve an energy storage problem by allowing solar energy collected during the day to be stored and used at night.&nbsp; A key challenge for solar fuel production is finding enough energy from sunlight to drive the complex water splitting oxidation and carbon dioxide reduction reactions. Researchers at the Solar Fuels EFRC at the University of North Carolina &ndash; Chapel Hill made an important discovery &ndash; a metal complex catalyst, a polypyridyl complex of ruthenium, catalyzed both water oxidation and carbon dioxide reduction. Using this catalyst, an electrochemical cell was developed that split carbon dioxide into carbon monoxide and oxygen.&nbsp; As ruthenium is rare and expensive, a cheaper, more widely available alternative was needed; EFRC researchers discovered simple salts of copper (II), under the right conditions, react as robust electrocatalysts for oxidizing water. These results are an important step in developing a simple, highly effective approach for solar fuel production.</p>{14FF3A14-5038-402A-B3D7-320BA7EEA712}http://science.energy.gov/bes/highlights/2012/bes-2012-12-a/<img src='/~/media/bes/images/highlights/2012/12/lee-mit-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>This observation paves the way for a deeper understanding of high-temperature superconductivity and future applications for quantum computing.Mon, 18 Mar 2013 10:16:52 -0400 <p>Confirming earlier theoretical predictions, a hallmark signature of a new kind of magnetic behavior, called the &quot;quantum spin liquid&quot; (QSL), has been observed. Unlike normal magnets wherein the electron spins freeze into an ordered state below a threshold temperature, in a QSL the electron spins associated with the material's magnetism continue to have motion even at absolute zero temperature. Through characterization by inelastic neutron scattering on large high-quality, single-crystal samples of the mineral ZnCu3(OD)6Cl2, the team, led by the Massachusetts Institute of Technology, discovered that the scattered neutrons have a broad spread of energies, a fundamental signature predicted by theory for a QSL. In normal magnets the scattered neutrons will have similar energy and produce “spots” rather than the diffuse intensity. The QSL can be thought of as the third fundamental state of magnetism; the first two states being the ferromagnet (all spins aligned parallel, as in a compass needle) and antiferromagnet (adjacent spins point in opposite directions, as in hard drive read heads). Research on QSL systems can lead to a deeper understanding of high temperature superconductivity and to potential applications in quantum information for future computers.</p> {5E80BB5B-2DB7-4A8E-9045-1B714FBEBD64}http://science.energy.gov/bes/highlights/2012/bes-2012-11-a/<img src='/~/media/bes/images/highlights/2012/11/nano-35c-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Unusual reaction eschews high temperatures and water to lock away climate-changing carbon dioxide.Mon, 18 Mar 2013 10:16:53 -0400 <p>Keeping power plants' emissions of carbon dioxide sequestered underground, even in the event of an earthquake or other geological upset, will be facilitated by transforming the carbon dioxide into a mineral, such as anhydrous magnesite. This reaction occurs more readily at high temperatures and requires additional water – conditions that may not be viable in an underground reservoir. Scientists at Pacific Northwest National Laboratory discovered a reaction that forms the desired mineral at the relatively low temperature of 95&deg;F and while recycling the water it needs. The team began with highly reactive nanometer-sized particles of an abundant mineral called forsterite, MgSiO₄. They introduced water-saturated supercritical carbon dioxide to the particles. They examined the forsterite surface using scanning electron microscopy and characterized the molecules formed using four specialized spectrometers. The results show that within 3 to 4 days, the forsterite, water, and carbon dioxide form a mixture of two magnesium-based minerals: nesquehonite, which contains water, and the desired anhydrous magnesite, which does not. Water is continually used and released in the process, with the water driving the reaction. Over 14 days of reacting, the carbon dioxide was transformed into magnesite and a highly porous silica phase.</p> {093F52C4-AC9E-4AA7-9E08-68A03F1080C1}http://science.energy.gov/np/highlights/2012/np-2012-10-a/<img src='/~/media/np/images/highlights/2012/10/hall-b-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Discovery could provide a deeper understanding of the dynamics of the three quarks enslaved inside the nucleon.Tue, 27 Nov 2012 12:45:58 -0500 <p>Modern experiments using electron beams at TJNAF and the CEBAF Large Acceptance Spectrometer (CLAS) detector address a precise question: how do the fundamental constituent particles of the Standard Model (quarks, antiquarks and gluons) assemble to form the composite “strongly interacting” particles observed in nature? Experimenters at TJNAF recently discovered five strongly-interacting unstable particles of a type known as “N* baryon resonances.” These composite particles, which are dominantly composed of three quarks, were predicted to exist in supercomputer studies of the theory of quarks and gluons, “Quantum Chromodynamics,” as well as by the original quark model of baryons. Since these predicted “missing resonances” had long eluded discovery, a conjecture arose that the presence of diquarks - a hypothetical strong pairing of two of the three quarks inside a baryon - might actually preclude their existence. The advanced experimental capability provided by the CLAS detector resolved the issue by finding some of these previously missing N* resonances; the crucial breakthrough was to search for the missing N*s in unusual decays that produced strange quarks. Since the previously “missing” N*s evidently do exist, this discovery eliminated the diquark conjecture regarding why these particular strongly-interacting composite particles were absent. The new particles discovered by CLAS have now been included in the Particle Data Group’s definitive 2012 Review of Particle Properties.</p> {D995B4A4-86BD-41FD-A5FE-1ED7261B7B33}http://science.energy.gov/np/highlights/2012/np-2012-10-b/<img src='/~/media/np/images/highlights/2012/10/lu-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Precision analytical techniques developed for fundamental experiments in nuclear physics now enable routine measurements of ultra-low concentrations of Krypton radioisotopes in samples of water, ice, and gas.Tue, 27 Nov 2012 12:45:59 -0500 <p>A state-of-the-art Atom Trap Trace Analysis (ATTA) instrument has been developed by a team of physicists working at Argonne National Laboratory working in collaboration with Earth scientists and other supporting agencies in the U.S. and worldwide. The ages of groundwater, ranging from 200,000 to 1,000,000 years old, in the Nubian Aquifer underneath the Eastern Sahara Desert, the Great Artesian Basin of Australia, and the Guarani Aquifer of South America have been measured. These results reveal hydrologic behavior of huge aquifers, with important implications for climate history and water resource management. Application of rare isotope ^81,85Kr-, ³⁹Ar-dating using ATTA in other areas of Earth sciences now appears feasible.  The radioisotope 85Kr is routinely measured as a residence-time tracer for young (&lt;60 years) shallow groundwaters that are most susceptible to contamination. When combined with other tracers, ⁸⁵Kr measurements will improve the quality and reliability of groundwater flow and vulnerability assessments. A systematic survey of ³⁹Ar throughout the oceans could fill major gaps in our knowledge of deep ocean circulation and mixing, and allow better predictions of oceanic sequestration of atmospheric CO2.  Polar ice cores have been used to reconstruct Earth’s past climate and atmospheric composition as far back as 800,000 years in time. ⁸¹Kr could potentially be used for dating of old ice with ages ranging from 100,000 – 1,500,000 years.  In volcanic and geothermal systems, the analysis of crustal fluid samples for noble radionuclides ³⁹Ar, ⁸¹Kr, and ⁸⁵Kr could provide information on the origin, evolution, and migration of crustal fluids.</p> {5DB681AE-F466-4520-909F-89DB8ADBA6D3}http://science.energy.gov/np/highlights/2012/np-2012-10-c/<img src='/~/media/np/images/highlights/2012/10/nasa-chamber-a-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Thomas Jefferson Laboratory lends expertise in cryogenics developments.Thu, 25 Apr 2013 12:26:48 -0400 <p>As the U.S. sweated through its warmest summer on record outside, an enormous testing chamber at NASA Johnson Space Center in Houston reached its coldest temperatures yet on the inside, cooled by one of the world's most efficient cryogenic refrigeration systems. “Chamber A” is mammoth, having a hinged door over 12 meters in diameter, a height of over 36 meters, and a diameter of almost 20 meters. Designed by members of the U.S. Department of Energy’s Jefferson Lab's Cryogenics group in Newport News, VA, the system reached its target temperature of 20 Kelvin, about -424 degrees F, for the first time in May and again during commissioning tests in late August. It reached its target temperature in just over a day and maintains a steady temperature with less than a tenth of a degree in variation over a load temperature range of 16 to 330 Kelvin, all with no loss of helium and using half the liquid nitrogen than comparable systems. But what is even more remarkable is its ability to maintain design efficiency down to a third of its maximum load. &quot;The range of load temperature and capacity while maintaining peak efficiency and temperature stability is unprecedented,&quot; said Venkatarao (Rao) Ganni, deputy Cryogenics Department head at Jefferson Lab, and a key member of the system design team. The successful cool down is great news for NASA, which will use the Space Environment Simulation Lab Chamber A to subject components of the James Webb Space Telescope to the rugged conditions it will encounter in space when it is launched in 2018. The Jefferson Lab cryogenics group has pioneered new technologies that led to improvements in the efficiencies of the laboratories' cryogenics systems, applying the concepts of its patented Floating Pressure (known as the Ganni Cycle) and other improvements to reduce the cost and improve the efficiency and stability of cryogenics operations.</p> {CC0FE014-A577-4967-B6A4-74FFF60B273A}http://science.energy.gov/hep/highlights/2012/hep-2012-10-a/<img src='/~/media/hep/images/highlights/2012/10/bella-laser-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Laser Delivers One Petawatt of Power in a Pulse only 40 Femtoseconds Long Every SecondMon, 18 Mar 2013 10:33:11 -0400 <p>Because BELLA’s laser has such high power and a high repetition rate, it will allow users to optimize the system in ways that can’t be done with lasers that fire a single shot a few times a day, which means that producing 10 GeV electrons is well within BELLA’s grasp. And because BELLA’s power and repetition rate are so high, a new door will open that will allow experiments with laser plasma wakefield acceleration to proceed with better controls and at a faster rate. The stage is set for the future development of compact particle accelerators for high energy physics and table-top free electron lasers to investigate materials and biological systems.</p> {4AFCFAE0-6729-491C-ACAA-C36D4D7C5E75}http://science.energy.gov/hep/highlights/2012/hep-2012-10-b/<img src='/~/media/hep/images/highlights/2012/10/higgs-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Particle may help explain the origins of mass.Wed, 03 Apr 2013 10:45:03 -0400<p>The Standard Model of Particle Physics predicts that the Higgs boson, once made, will decay in a number of ways. Some of these decay modes are easier to observe at the LHC than others, in particular the mode in which the Higgs decays to two photons and the mode in which it decays two pairs of electrons or muons or one pair of each. These decay modes are most easily observed because their backgrounds&mdash;events that may look like they came from the decay of a Higgs but don&rsquo;t&mdash;are very well understood. (Other modes were investigated as well.) Any events above the number of background events then may be statistically significant and a signature for a new particle. The accompanying figure shows CMS data for the di-photon decay mode. One can easily observe the excess of events around 125-126 GeV. Both ATLAS and CMS have similar plots for other decay modes as well.&nbsp;If the new particle proves to be the Higgs boson then this implies the existence of the Higgs field as the mechanism by which gauge bosons, such as the W and Z bosons, and quarks and charged leptons gain rest mass.&nbsp;&nbsp;The Higgs field has been likened to a giant vat of molasses spread throughout the universe through which particles wade. If a specific elementary particle is heavier than another, then it is more strongly coupled to the Higgs field. The strength of this interaction decides the particles mass. If the new particle is not the Higgs, then some other explanation for electroweak symmetry breaking must be found. </p>{1DEB4A1B-A989-4458-A291-F76301B4A096}http://science.energy.gov/hep/highlights/2012/hep-2012-10-c/<img src='/~/media/hep/images/highlights/2012/10/nobel_saul_perlmutter-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Astrophysicist Saul Perlmutter wins Nobel “for the discovery of the accelerating expansion of the universe through observations of distant supernovae.”Mon, 18 Mar 2013 10:33:09 -0400 <p>Because Type 1a supernovae form in the same way and explode with the same mass, their absolute light output is the same regardless of where and when they explode. That makes them “standard candles” – useful reference points in the night sky.  By measuring their apparent luminosity here on Earth, and comparing that with what we know to be their absolute luminosity, scientists can calculate how far away these supernovae are. And the farther away they are, the older they are because it takes light a longer time to arrive here if emitted from an object farther away than another. By comparing the redshifts of older supernovae with younger ones, scientists were able to determine conclusively that the rate of expansion of the universe is speeding up. This finding was contrary to the conventional wisdom, which held that the rate of expansion of the universe would slow down due to universal gravitational attraction.  Instead, physicists were forced to contemplate a radically different view of the universe. Physicists speak of the total matter-energy of the universe. The world that we see and touch, the world that we are made of, physicists now believe is only about 5% of the total matter-energy of the universe. Twenty percent is thought to be dark matter, which leaves approximately 75% of the universe’s matter-energy to be dark energy.</p> {7470F555-55F6-45D3-817C-95F69468597C}http://science.energy.gov/hep/highlights/2012/hep-2012-10-d/<img src='/~/media/hep/images/highlights/2012/10/rd100-lapd-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Argonne National Lab wins prestigious 2012 R&D 100 award for development of Large Area Microchannel Plate DetectorsMon, 18 Mar 2013 10:33:09 -0400 <p>Many modern physics experiments require very large detectors to “see” either very rare processes or particles that, although abundant, are difficult to detect. Large detectors increase the probability of catching these particles and improving experimental results. But with size comes cost. A large detector often means a large volume filled with, for example, tons of water or liquid argon. Around this must be an array of hundreds and often thousands of individual photomultiplier tubes (PMT) pointed inward, each hoping to detect a glimmer of light. These PMTs are costly, bulky, and require lots of cabling to operate.  Argonne National Lab, however, has developed coatings for a new MCP substrate made of cheaper borosilicate glass with the appropriate capillary structure for secondary electron emission. These are supplied by InCom. These substrates are then coated via atomic layer deposition (ALD) with two thin coats, a resistive coating and an emissive coating, in order to optimize secondary electron emission. This is done at Berkeley Space Science Laboratory. The composition of these coatings can vary depending on the application.  This new technology provides an opportunity to significantly reduce the cost of large-scale experiments. But because large-area detectors are needed in other areas as well, they should find homes in national security and medical imaging as well.</p> {57A98699-A355-4857-BEC7-E276DE4DEFF7}http://science.energy.gov/fes/highlights/2012/fes-2012-10-a/<img src='/~/media/fes/images/highlights/2012/10/snowflake-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Recent experiments have confirmed the great potential of a novel plasma-material interface concept.Tue, 27 Nov 2012 12:45:47 -0500 <p>Strong magnetic fields shape the hot plasma in the form of a donut in a magnetic fusion plasma reactor called a tokamak. Confined plasma particles move along infinite magnetic field lines inside the tokamak. Some particles and heat, however, tend to escape because of transport and magnetohydrodynamic plasma instabilities. A separate part of the vacuum vessel called a “divertor chamber” is used to divert away and collect lost heat and particles. If the plasma incident on the divertor surface is too hot, melting of the plasma-facing components and loss of coolant can occur. Under such undesirable conditions, the plasma-facing component lifetime would also be an issue, as they would tend to erode too quickly. The snowflake divertor concept was developed theoretically by Dmitri Ryutov and colleagues within the Fusion Energy Sciences Program at Lawrence Livermore National Laboratory (LLNL). The experiments led by LLNL scientists on the National Spherical Torus Experiment (NSTX) and DIII-D tokamak user facilities at Princeton Plasma Physics Laboratory and General Atomics, respectively, confirmed that all predicted magnetic properties could be realized without any additional hardware. The experiments at NSTX and DIII-D demonstrated a drastic reduction of heat load on divertor plasma-facing components and compatibility with high performance high confinement core plasma regimes. These, as well as other on-going experimental and numerical modeling efforts in USA, Switzerland, Italy and China, provide support to the snowflake divertor configuration as a viable plasma-material interface for future tokamak devices and for fusion development applications.</p> {12E64D86-5C57-454E-B385-EF2BA662E69D}http://science.energy.gov/fes/highlights/2012/fes-2012-10-b/<img src='/~/media/fes/images/highlights/2012/10/paw-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>New findings indicate that ionized plasmas like those in neon lights and plasma TVs can be used to sterilize water, making it antimicrobial for as long as a week after treatment.Tue, 27 Nov 2012 12:45:48 -0500 <p>When water is exposed to air adjacent to dielectric-barrier-discharge generated plasma, various chemical compounds including hydrogen peroxides and nitrites arise in the water that have the ability to kill bacteria.  This water is known as Plasma-Activated Water (PAW). Work at the University of California at Berkeley partially funded by the Office of Science Fusion Energy Sciences program through its Center for Predictive Control of Plasma Kinetics has shown that the PAW can stay antibacterial for up to seven days. Suspensions of <em>E. coli</em> were exposed to PAW for various durations over a 7-day period; samples exposed for longer times showed a significant decrease in the E. coli population.  Because of its anti-bacterial capacity, PAW has the potential for a multitude of applications such as sterilization of medical equipment and the treatment of wounds. While further research remains before PAW can be used in clinical settings, these early results are promising.</p> {FC3C9C4D-D4FC-41CD-9F44-360EFACC023E}http://science.energy.gov/fes/highlights/2012/fes-2012-10-c/<img src='/~/media/fes/images/highlights/2012/10/betti-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Ultra high intensity magnetic fields open new opportunities in high energy density plasma science.Wed, 28 Nov 2012 16:05:03 -0500 <p>The Office of Fusion Energy Sciences (FES) has supported basic research at the University of Rochester to explore and control the properties of high energy density plasmas. Given the ultra high pressures of tens of gigabars of such plasmas, controlling their properties has always been an outstanding challenge. Using magnetic field compression as a tool to generate ultra high magnetic fields, the Rochester group has successfully produced a hotter core of a laser-driven capsule by magnetizing the central plasma heated by an imploding shell.  An initial seed magnetic field is embedded in a tiny spherical shell imploded by a high energy laser. The magnetic flux is frozen in the ionized gas inside the shell and then self-amplified as the target implodes.  In this way, a magnetic field of 20 megagauss is achieved from a 50 kilogauss seed field. The compressed field magnetizes the electrons and reduces the heat losses thus increasing the temperature and fusion reactivity of the compressed core.  The ability to control the properties of these plasmas with a magnetic field opens the way to many exciting studies with applications to astrophysics and fusion energy. The experimental platform developed by the Rochester scientists is available to outside users for future science experiments.</p> {0E8F3ECF-5330-4A99-8D3D-77954A2CE8EC}http://science.energy.gov/fes/highlights/2012/fes-2012-10-d/<img src='/~/media/fes/images/highlights/2012/10/c-mod-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Recent experiments on Alcator C-Mod have investigated an improved confinement regime, called “I-Mode”, expanding its operational range and pointing toward its applicability on future devices.Wed, 28 Nov 2012 16:05:02 -0500 <p>I-Mode is an attractive tokamak operational regime, combining the high energy confinement and edge thermal barrier of H-mode, with the low particle confinement of L-mode, avoiding impurity accumulation and the need for ELMs to expel particles; ELM divertor heat fluxes are an issue of great concern for ITER. Alcator C-Mod experiments have  confirmed and extended prior results which found particularly robust operation in this configuration, maintaining I-mode up to the highest ICRF heating powers on C-Mod, expanding the ranges of magnetic field, and obtaining detailed information on the core and edge profiles and turbulence which should help us understand better its physical mechanisms.   Initial assessments of the potential application of I-mode to ITER were positive, indicating that I-mode may be accessible on ITER with the planned heating power, at average density of about 5 x 10¹⁹m^-3, and that Q=10 could be achievable at about 30% higher density.   An open issue was whether such a controlled density increase was achievable while maintaining the I-mode.  This motivated recent C-Mod experiments to assess density dependences and implement active density control.  Results were extremely positive.  Gas fuelling was added to an I-mode phase, increasing average density from the initial 1.5 x 10²⁰m^-3, to a final value of 2 x 10²⁰m^-3.  Plasma pressure remained nearly constant, with energy confinement following the ITER H-mode scaling, while I-mode turbulence features and edge temperature pedestal are clearly maintained. With further increases in power, from external sources, or from alphas in a burning plasma, it could well be possible to extend the I-mode operating space to even higher densities and performance.  Additional experiments, both on C-Mod, and in coordination with larger, lower field tokamaks, are urgently required to increase our confidence in the extrapolations to burning plasma conditions on ITER.</p> {2A7E95C8-2BC0-4AB9-8F15-47AEA312D29D}http://science.energy.gov/fes/highlights/2012/fes-2012-10-e/<img src='/~/media/fes/images/highlights/2012/10/beam-views-updated-nov-2012-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>A new type of stellarator could be a promising candidate for future fusion reactors.Fri, 30 Nov 2012 16:18:55 -0500 <p>The Helically Symmetric Experiment (HSX) at the University of Wisconsin-Madison is a so-called quasi-symmetric stellarator and is the only one in the world so far to be built and operated. Quasisymmetric stellarators are good candidates as a fusion reactor because they do not need to have large currents flowing within the plasma at risk of going unstable and adversely impacting the walls of the confining vessel. HSX is unique in that it has a set of complex, three-dimensional coils that were computer-designed to produce a relatively simple magnetic field, which is used to fool the ions and electrons that make up the plasma into behaving as if they were confined in a straight, twisted tube rather than the doughnut shape that actually defines the configuration. In doing so, the magnetic field is roughly constant in a helical direction, which improves the confinement and allows the plasma to flow freely. This free plasma flow is crucial to quenching turbulence in the plasma that can degrade confinement.  A recent study used charge-exchange recombination spectroscopy to observe plasma flows as large at 20 km/s in the direction of symmetry, without any external input of momentum. These flows have been modeled by a new code which, for the first time, provides a tool that can be applied to any toroidal system, from ideal tokamaks, to quasisymmetric devices, to fully 3D systems.</p> {CB72E74E-BDD2-4760-A131-59B125B51199}http://science.energy.gov/bes/highlights/2012/bes-2012-10-g/<img src='/~/media/6B32687020B641409FBF1A56CEF64097.ashx' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Adding an oxide sieve, a layer containing nanocavities, to a catalyst surface makes the catalyst selective for specific reactions and increases efficiencies for chemical processes.Fri, 10 May 2013 11:21:35 -0400<p>Catalysts are compounds that enhance the speed of chemical reactions in a wide range of industrial chemistry applications. The Institute for Atom-Efficient Chemical Transformation (IACT), a DOE-supported Energy Frontier Research Center (EFRC), is developing new reactions and new catalytic materials for bioenergy production by combining advanced characterization, computer simulations, and materials synthesis.&nbsp;IACT researchers at Northwestern University and Argonne National Laboratory developed a new technique to modify existing oxide catalysts with a surface film that enhances the selectivity of the catalyst. These films contain &lt;2 nm diameter &ldquo;nanocavities&rdquo; made by adding a template during the atomic layer deposition process that is used to synthesize atom-precise films of oxides, metals, and other materials. Removal of the template after synthesis results in the nanocavities in the surface that provides a sieving effect, allowing separation of the reactant molecules and limiting reactions to a single particle. Because the thickness of the sieving layer is comparable in size to the reactant molecules, diffusional limitations that plague other materials are not present here. Ultimately, adding selectivity to intrinsically non-selective oxide catalysts is expected to decrease the cost for biofuels and bio-derived chemicals by decreasing the need for challenging and costly separations and increasing the product yields.</p> <p>The research utilized the Advanced Photon Source for characterization of the structures.</p>{E9165276-CDE5-4BEE-8A57-97114FA4DC5B}http://science.energy.gov/bes/highlights/2012/bes-2012-10-a/<img src='/~/media/bes/images/highlights/2012/10/balke-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>New microscopy with nanometer-sized resolution may bring revolutionary new understanding to energy storage technologies.Mon, 18 Mar 2013 10:16:56 -0400 <p>A new scanning probe technique has led to the first measurements of the activation energy for Li-ion transport with nanometer resolution in the battery electrode material LiCoO₂. Understanding ionic transport at the level of individual grains and grain facets is of great importance in improving future energy storage (battery) energy and conversion (fuel cell) devices. Until now, activation energies for ionic transport have been actively explored by electrochemical techniques on the macroscopic and device level, allowing only average values for the activation energy to be determined. In this work, temperature-dependent electrochemical strain microscopy (ESM) is used to measure the activation energy of Li-ion transport in LiCoO₂ thin films on the nanometer scale, bridging the lengths scales of atomistic calculations and traditional macroscopic experiments. By understanding the local picture of Li-ion transport in electrode materials and its correlation with the microstructure, a better understanding of ionic flow through a battery can be developed, as is required for future improvements in battery technologies.</p> {CA0FB59C-36B2-4103-B265-64BD61B29DB7}http://science.energy.gov/bes/highlights/2012/bes-2012-10-b/<img src='/~/media/bes/images/highlights/2012/10/mpims-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Unique analysis of the reaction of propene with oxygen atom reveals the influence of electron spin on combustion chemistry.Mon, 18 Mar 2013 10:16:55 -0400 <p>Researchers at the Combustion Research Facility, Sandia National Laboratories, have obtained detailed insights into the oxidation of hydrocarbons, the first step in combustion, by use of a new gas-phase chemistry probe that combines synchrotron-based photoionization with mass spectrometry. The simple oxygen atom is an important combustion reactant as an oxidizer of hydrocarbon fuels. But reactions of individual oxygen atoms with other molecules are challenging to understand because of the unpaired electron of oxygen. Conventional understanding says that flipping the oxygen electron’s spin in the course of a reaction is “forbidden.” Synchrotron studies of the reaction of oxygen atoms with propene, a representative unsaturated hydrocarbon, differentiated between spin-allowed versus forbidden pathways and revealed unexpectedly large amounts of spin-forbidden products. This work is providing remarkable new insights that will profoundly affect our ability to accurately simulate the complex chemistry of combustion processes.</p> {150695B0-A7B5-4840-BCCD-9EE487B34F8E}http://science.energy.gov/bes/highlights/2012/bes-2012-10-c/<img src='/~/media/bes/images/highlights/2012/10/nitrogen-distribution-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>The first real-time images of two atoms vibrating in a molecule have been captured using a technique called laser-induced electron diffraction.Mon, 18 Mar 2013 10:16:55 -0400 <p>Developments in theory and ultrafast lasers are rapidly advancing our ability to observe and control the motions of atoms and electrons within molecules undergoing chemical transformations.  BES-supported scientists at Ohio State University and Kansas State University recently reported the first freeze-frame images of atoms in vibrating oxygen and nitrogen molecules by using the molecule’s own electrons to report the positions of its atoms with exquisite spatial (0.1 Å) and femtosecond (10^-15 sec) temporal resolution.  The technique, called laser-induced electron diffraction (LIED), uses the oscillating electromagnetic field of an intense, ultra-fast laser pulse to pull an electron from the molecule in a process known as photo-ionization and then hurl that same electron back to interact with and diffract from the molecular ion. The diffraction pattern from the re-scattered electron provides a snapshot of the molecular structure at the instant when it interacts with the atoms in the molecule.  The LIED technique offers a novel method for capturing the ultrafast motion of atoms within a molecule through the manipulation of one of its own electrons.</p> {9B831F68-2126-44A7-8A2E-4974C9F56F0B}http://science.energy.gov/bes/highlights/2012/bes-2012-10-d/<img src='/~/media/bes/images/highlights/2012/10/graphic-levin-atom-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Small addition of rare earth element makes a big difference in converting heat to electricity.Mon, 18 Mar 2013 10:16:54 -0400 <p>One of the best thermoelectric materials for converting heat to electricity was made 15% better based on discoveries in BES-supported research conducted at Ames Laboratory.  Adding a small amount of dysprosium to the thermoelectric material known as TAGS-85 (Ag_6.52Sb_6.52Ge_36.96Te₅₀) distorts the local crystalline structure and enables higher energy carriers to move preferentially through the material while presenting barriers to the transport of lower energy carriers.  Researchers found that the larger size of dysprosium atoms along with its local magnetic characteristics modifies the complex interplay between electronic and thermal transport in the material that is responsible for the electrical current that is generated in the material when one end of a thermoelectric device is heated to a higher temperature.  Adding dysprosium to TAGS-85 raises the thermoelectric figure of merit (ZT) for the material from 1.3 to 1.5, an improvement of 0.2 towards the goal of ZT = 2.0 needed for the commercialization of thermoelectric power generation.  Understanding how small levels of added atoms impacts thermoelectric properties helps researchers design even better thermoelectric materials.</p> {1B8A43C0-6464-4F1B-9DFE-A45240D61436}http://science.energy.gov/bes/highlights/2012/bes-2012-10-e/<img src='/~/media/bes/images/highlights/2012/10/kp-fossil-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Supercomputers + Software + electromagnetic images yield new way to discriminate underground deposits from surrounding geology.Mon, 18 Mar 2013 10:16:54 -0400 <p>Seismic imaging methods have a long and established history in identifying the geological structures that indicate hydrocarbon-bearing reservoirs.  However, these methodologies cannot discriminate between different types of reservoir fluids, such as brines, oils and gas, with the end result that significant time and money can go for offshore drilling without finding gas or oil.  New geophysical technologies using electromagnetic signals are sensitive to these differences if electrically resistive hydrocarbons are present. However, extracting the needed information is difficult, involving a mathematically elaborate process called inverse modeling. To make the analysis easier, researchers at Lawrence Berkeley National Laboratory have combined advanced geophysical imaging technologies with high-performance computing algorithms to make a powerful tool for subsurface electrical resistivity mapping, EMGeo - ElectroMagnetic Geological Mapper. It exploits parallel computing power, including LBNL’s National Energy Research Scientific Computing Center, to maximize the information that can be extracted from industrial electromagnetic surveys. The software has been licensed to several major oil and gas companies active in deep-water exploration, potentially saving billions of dollars in the detection of energy deposits. Additional research is focused on directly combining microseismic and electrical survey data for deepening the resolution of subsurface fluid maps within enhanced geothermal systems.</p> {32B9830F-0622-4D56-888B-B4473DC6045C}http://science.energy.gov/bes/highlights/2012/bes-2012-10-f/<img src='/~/media/bes/images/highlights/2012/10/puO2-molecule-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Observation of a plutonium nuclear magnetic resonance ends 50-year search and provides a key to deciphering its complex properties.Mon, 18 Mar 2013 10:16:53 -0400 <p>BES-supported research at Los Alamos National Laboratory, with collaborating scientists from the Japan Atomic Energy Agency, has led to the discovery of the nuclear magnetic resonance (NMR) signature for plutonium, the only spin-1/2 nucleus whose NMR signal had eluded detection despite 50 years of searching.  To find plutonium’s elusive NMR signature, the researchers used a highly chemically and isotopically purified sample of solid plutonium dioxide, cooled it to 3.95 Kelvin to slow the nuclear spin relaxation time, and scanned over a range of energies thousands of times larger than typically found for lighter elements.  The physical constant that is a signature of plutonium’s nucleus, the gyromagnetic ratio, determined through this discovery, also provides an all-important window into the local electronic environment of the plutonium nucleus, which determines the complex physical and chemical behaviors exhibited by plutonium in its metallurgy and chemical reactivity.  The long-awaited discovery of this NMR signature provides an important, non-invasive tool to improve our understanding of plutonium, its stability, reactivity, and properties, in solid state physics, chemistry, biology, and materials science.</p> {55CEF659-B461-4369-AA05-8AB2E8BFEF23}http://science.energy.gov/ascr/highlights/2012/ascr-2012-10-a/<img src='/~/media/ascr/images/highlights/2012/10/100g-sim-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>The Advanced Networking Initiative testbed is allowing researchers to develop radical new technologies for the next generation Internet.Fri, 10 May 2013 16:35:48 -0400 <p>The 100 Gbps dark fiber testbed provides a facility for researchers to address the challenges of deploying and operating high speed optical networks. This includes research into disruptive technologies and approaches that are not ready to mingle with production traffic. “Just because the network is 10 times faster does not mean the protocols and middleware will be 10 times faster,” said Brian Tierney of the Energy Science network (ESnet). Such discrepancies could create bottlenecks that slow down the network, frustrating fulfillment of its potential.  The testbed, which is open to industry, government labs and academia, allows a user project to be the only traffic on the testbed, enabling experiments in a truly controlled environment. One of the challenges in network research is repeatability, so giving a researcher complete control of a 100 Gbps testbed allows the experiment to be re-run multiple times, enabling them to adjust the experiment if needed, leading to more exact results. For the networking research community, there is no other test environment like this that provides researchers the ability to experiment with their ideas “at scale” on a national backbone. And none of the U.S. research groups in industry or academia could afford to build an environment like this on their own. Eric Dube, Senior Product Manager of Systems at Bay Microsystems, Inc., stated  “This is the first time Remote Direct Memory Access (RDMA) over distance has been proven to work at full bandwidth for 40 Gbps data rates. Gaining access to a 40 Gbps wide area optical circuit is very costly and had prohibited this kind of research in the past. Using the ANI testbed, we are now able to prove these concepts in a live network environment setting the stage for deploying scalable RDMA-enabled applications over 100G networks. This is especially important as more geographically dispersed data centers and science sites will require this type of bandwidth and capability.” </p> {4C9F237A-9310-40D9-BC5F-BB7C8AAA8212}http://science.energy.gov/ascr/highlights/2012/ascr-2012-10-b/<img src='/~/media/ascr/images/highlights/2012/10/91212-supercomputer-universe-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Simulating the evolution of the universe on the Argonne Leadership Computing Facility’s IBM Blue Gene/Q.Mon, 18 Mar 2013 10:33:10 -0400 <p>Cosmology—the science of the origin and development of the universe—is entering one of its most scientifically exciting phases. Two decades of surveying the sky have culminated in the celebrated Cosmological Standard Model. While the model describes current observations to accuracies of several percent, two of its key pillars, dark matter and dark energy—together accounting for 95% of the mass energy of the universe—remain mysterious. Scientists would love to be able to rewind the universe and watch what happened from the start. Since that's not possible, researchers must create their own mini-universes inside computers and unleash the laws of physics on them, to study their evolution. Using the Argonne Leadership Computing Facility’s IBM Blue Gene/Q, researchers have simulated the evolution of the universe through the first 13 billion years after the big bang. The simulation tracks the movement of trillions of particles as they collide and interact with each other, forming structures that transform into galaxies. This simulation is part of a project led by physicists Salman Habib and Katrin Heitmann of Illinois' Argonne National Laboratory resolving galaxy-scale mass concentrations over observational volumes representative of state-of-the-art sky surveys. This initiative targets an approximately two- to three-orders-of-magnitude improvement over currently available resources. The simulation is based on the new HACC (Hardware/Hybrid Accelerated Cosmology Code) framework aimed at exploiting emerging supercomputer architectures such as the IBM Blue Gene/Q at the ALCF. HACC is the first (and currently the only) large-scale cosmology code suite worldwide that can run at this scale and beyond on all available supercomputer architectures. To achieve this versatility, the researchers had to build the code from scratch working closely with advanced computing researchers. One of the main mysteries they hope to solve with the simulations is the origin of the dark energy that's causing the universe to accelerate in its expansion.</p> {58B28D5A-2CEB-42AC-ACEB-21738879AB51}http://science.energy.gov/ascr/highlights/2012/ascr-2012-10-c/<img src='/~/media/ascr/images/highlights/2012/10/baudry-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Researchers use Oak Ridge Leadership Computing Facility to accelerate drug discovery.Fri, 15 Mar 2013 17:37:58 -0400 <p>Jerome Baudry, an assistant professor at the University of Tennessee (UT) and member of the Center for Molecular Biophysics at Oak Ridge National Laboratory (ORNL) and his team of computational biophysicists use supercomputers much like other scientists use microscopes. After making alterations to publicly licensed software from the Scripps Research Institute, they were able to create 3D biological simulations of compounds docking with receptors in the body and run it on one of the world’s fastest computers to screen millions of candidates in a few days. The simulations the team created are based upon the process by which molecular compounds function within the body. Pharmaceuticals work because they bind specifically to certain cellular receptors that play roles in health and disease; similar to the way a key fits a lock. When that key opens too many locks, however, side effects occur. Baudry and his collaborators want to be able to predict the specific binding of a drug to a receptor to avoid cross-reactivity. Knowing this behavior will help researchers generate drug candidates likely to survive clinical trials. Thanks to the efficient and massive computations possible using the Oak Ridge Leadership Computing Facility, Baudry and his collaborators can screen drug candidates against multiple receptors and the dynamic structural variations of those receptors. The ability to run simulations greatly reduces the sample size as poor drug candidates get eliminated and ultimately produces a more specifically binding, and therefore more efficient, drug.</p> {F0FB5662-94BD-42E9-AC7F-C409F8ACBA0C}http://science.energy.gov/fes/highlights/2012/fes-2012-09-a/<img src='/~/media/fes/images/highlights/2012/09/snyder-pb-modes-structure-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>New research advances in the modeling of the critical “pedestal” region of tokamak plasmas.Thu, 29 Nov 2012 13:36:38 -0500 <p>High fusion performance (“H –mode”) in tokamaks is achieved via the spontaneous formation of an insulating transport barrier in the outer few percent of the confined plasma. This insulating layer is relatively thin, and is referred to as the “pedestal” because it provides an abrupt step up in the temperature and density profiles. In addition, the large free energy in the pedestal region can drive instabilities called Edge Localized Modes (ELMs), which eject bursts of heat and particles onto material surfaces. FES-supported research at General Atomics has resulted in a theoretical and computational model, known as the EPED model, based on fundamental physics constraints and without any fitting parameters which can predict the height and width of the pedestal. The  instabilities  responsible  for  ELMs  are  known  as  peeling- ballooning  (PB)  modes,  as  they  balloon  outward  and  peel  off  part  of  the  insulating  layer  of  plasma. The onset of PB  modes  provides  a  constraint  on  the  height  of  the  pedestal  as  a  function  of  its  width.  An  additional  smaller–scale  instability,  the  kinetic  ballooning  mode  (KBM),  constrains  the  pressure  gradient  within  the  insulating  layer  by  driving  heat  and  particle  transport  across  it.  Combining  the two constraints  yields  the  EPED  model,  which  predicts  both  the  height  and  the  width  of  pedestal.</p> {E48A0243-AEC7-4CD4-9759-C171D5B7FF9A}http://science.energy.gov/ber/highlights/2012/ber-2012-09-a/<img src='/~/media/ber/images/highlights/2012/09/chang-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Understanding factors influencing a cyclone’s path and intensity improves our ability to forecast and mitigate impacts.Mon, 18 Mar 2013 10:27:17 -0400 <p>A barrier layer in ocean environments, or Mixed Layer Depth, is defined as the depth where the density increases from the surface value due to a prescribed temperature decrease of some value (e.g., 0.2&deg;C) from the surface value while maintaining constant surface salinity value. Using a combination of observations and model simulations, the team demonstrated that barrier layers, formed through high fresh water input reducing the salinity in the upper tropical oceans, significantly increase the intensity of tropical cyclones. When tropical cyclones pass over these regions, the increased stratification and stability within the layer reduce storm-induced vertical mixing and sea surface temperature cooling. Their findings underscore the importance of observing salinity structure in deep tropical barrier layer regions.  As the hydrological cycle responds to global warming, any associated changes in the barrier layer distribution must be considered in projecting future tropical cyclone activity.</p> {67BFD15D-1E11-4E8E-BD17-650AA2EDEDA6}http://science.energy.gov/ber/highlights/2012/ber-2012-09-b/<img src='/~/media/ber/images/highlights/2012/09/poplar-trees-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Knowing how Poplar trees make wood enables us to optimize their use for bioenergy production.Mon, 18 Mar 2013 10:27:16 -0400 <p>Poplar is a promising bioenergy feedstock due to its rapid growth, large biomass and because sugars extracted from the lignocellulosic biomass (wood) of these native trees can be fermented to form renewable biofuels. These sugars are embedded within lignin, a complex, rigid structure that is critical to the overall health of the plant but that also impeded extraction of the sugars. New DOE research is providing insight into how the lignocellulosic material forms in poplar. The process involves the expression of a cascade of genes whose regulation is poorly understood. The researchers at North Carolina State University report their discovery of a single protein (“controller” protein) that regulates this cascade on multiple levels to ensure normal growth, doing so in a way never before seen in plants. The controller protein was found outside the cell nucleus. In the presence of one of four other related proteins, it is carried into the nucleus where the two proteins bind. The newly-formed molecule then suppresses expression of the regulatory gene cascade. </p> {E5F4E881-2738-4AC7-8B30-A6DF89B215DF}http://science.energy.gov/ber/highlights/2012/ber-2012-09-c/<img src='/~/media/ber/images/highlights/2012/09/gregurick-palsson-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Enzyme “promiscuity” and “monogamy” play a significant role in myriad biochemical reactions.Mon, 18 Mar 2013 10:27:16 -0400 <p>In biology, some enzymes are highly specialized and catalyze specific reactions with few or only one substrate while other enzymes are promiscuous and can catalyze reactions using a variety of substrates. This phenomenon has also been observed experimentally for microbes involved in bioenergy related processes. However, we don’t understand why, within an organism, some enzymes are highly specialized while others remain generalists. Recently Nam and co-workers have addressed this question using whole genome metabolic reconstructions and analysis, including dynamical simulations of environmental changes to understand microbial responses. The higher flux and higher regulation allows enzymes with very specialized functions to be more responsive and adaptive to environmental surroundings and changes then their less specialized counterparts. This work also illustrates that understanding environmental cellular physiology is greatly enhanced when using a systems biology approach rather than approaches that are focused on single enzymes simulations.</p> {EB315AB0-A12A-4678-9886-4F1FD5465001}http://science.energy.gov/ber/highlights/2012/ber-2012-09-d/<img src='/~/media/ber/images/highlights/2012/09/graber-meeks-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Discovering how a microbe makes complex structures to perform complex functions.Mon, 18 Mar 2013 10:27:15 -0400 <p>In comparison to multicellular plants and animals, bacteria are relatively simple, typically existing as single cells. However, some bacteria cooperate to form surprisingly sophisticated  structures. The photosynthetic microbe <em>Nostoc punctiforme</em> forms long filaments of connected cells. At regular spacing along these filaments, individual cells differentiate to form heterocysts, non-photosynthetic cells that convert nitrogen gas into biologically useful nitrogen compounds. This patterning allows these microbes to separately perform both photosynthesis (which produces O₂ as byproduct) and “fix” nitrogen using enzymes that are poisoned by oxygen, cooperatively exchanging the resulting nutrients between the cell types. In a new study, DOE researchers at the University of California, Davis describe genetic mechanisms responsible for the establishment and maintenance of this distinctive pattern in growing filaments. When the expression of a series of regulatory genes (the “pat system”) was experimentally manipulated, filaments formed with abnormal distributions of heterocysts. By analyzing these patterns and tracking the distribution of related proteins in dividing cells, the investigators were able to develop a new model describing the regulatory interactions resulting in the pattern that allows optimal photosynthesis and nitrogen fixation in the filaments.</p> {7291F942-6029-42E7-A4ED-65057C685672}http://science.energy.gov/bes/highlights/2012/bes-2012-09-a/<img src='/~/media/FFCEEF8DB53E47E9847517FCB8BE469D.ashx' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>A step closer to an artificial system using sunlight to produce hydrogen from waterFri, 10 May 2013 11:21:34 -0400<p>In natural photosynthesis, multiprotein complexes termed photosystems capture solar energy and convert it to chemical energy.&nbsp; Sunlight is absorbed by a pigment in the photosynthetic reaction center of the photosystem, causing electrons to increase in energy.&nbsp; These high-energy electrons are then transported through a series of components to the water splitting/oxygen evolving complex in the photosystem where via the energy from the electrons, water molecules are split into oxygen and hydrogen ions. Using natural photosynthesis as a model, The Center for Bio-Inspired Solar Fuel Production EFRC at Arizona State University designed a completely artificial photosynthetic fuel production system.&nbsp; Researchers constructed synthetic versions of each of the key parts of electron absorption and electron transfer found in a natural photosystem.&nbsp; Ultrafast laser studies verified that the synthetic version functioned in a manner similar to the natural version. The water splitting/oxygen evolving component was added through collaboration with Pennsylvania State University.&nbsp; When illuminated, the final completed solar water splitting device produces oxygen and hydrogen gas from water.&nbsp; While this artificial system is inefficient and currently operated only on the laboratory scale, it is a step forward in finding a way to a viable solar fuel technology.</p>{D3D0CED3-F4E4-45D4-BC40-4B017CFC1F6E}http://science.energy.gov/bes/highlights/2012/bes-2012-09-b/<img src='/~/media/F1C03600DBEB4CA2853A1A63AD3D4EFA.ashx' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Rapid creation of carbon-fluorine bonds may lead to improved production of drugs, agrochemicals and positron emission tomography (PET) tracers.Fri, 10 May 2013 11:21:35 -0400<p>Catalysts for low-temperature and selective substitution of bonds in hydrocarbons to produce specific functionality are central to the development of advanced technologies that can provide dramatic improvements in the utilization of energy. The Center for Catalytic Hydrocarbon Functionalization (CCHF), a DOE funded Energy Frontier Research Center, is developing efficient catalysts for conversion of hydrocarbons into higher value materials. CCHF researchers at Princeton University and the California Institute of Technology discovered a manganese porphyrin catalyst (lower left molecule in figure) that selectively fluorinates carbon-hydrogen bonds under mild conditions using simple fluorides.&nbsp;The new fluorination system can be applied to a variety of alkanes, terpenoids and steroids&mdash;industrial molecules that are used in agriculture, pharmaceutical production, and medical positron emission tomography (PET) scan tracers.&nbsp;The yields of the reaction are sufficiently high and the techniques are sufficiently simple that the reaction can be performed without specialized apparatus.&nbsp; Given that the source of F in this one-step, one-pot protocol is fluoride ion, applications to incorporate isotopically-labeled F into a wide variety of biomolecules and synthetic building blocks can be expected. </p> <p>A patent application has been filed on the methodologies and resulting catalysts.</p>{931D7F26-CAE3-4E2E-8070-B1CC81A6639C}http://science.energy.gov/ber/highlights/2012/ber-2012-08-a/<img src='/~/media/ber/images/highlights/2012/08/koch-barton-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Arctic clouds, major controllers of the radiative budget, are now better represented in climate models.Mon, 18 Mar 2013 10:27:18 -0400 <p>The Arctic Ocean’s surface alters between ocean and sea ice. This variation, along with atmospheric dynamics and thermodynamics, affects Arctic cloud properties. DOE scientists at Lawrence Livermore National Laboratory (LLNL) developed a method to evaluate Arctic clouds in the Community Earth System Model’s (CESM) two most recent global atmospheric models that are used in the coupled transient climate projections, the Community Atmospheric Model Version 4 and 5 (CAM4 and CAM5). Clouds were first examined during distinctly separate dynamical and thermo-dynamical conditions, which were called synoptic regimes. Next, clouds fractions for each regime were examined when the regime occurred over open-ocean, sea ice, and land. The scientists ran CAM4 and CAM5 using the DOE Cloud-Associated Parameterizations Testbed (CAPT) framework to ensure the dynamics and thermodynamics in the models were similar to the observations. From CAM4 to CAM5, there was a large community effort to improve the representation of boundary layer clouds, which are prevalent in the Arctic.</p> {34724901-4530-4070-91EA-9629A3EBDF58}http://science.energy.gov/ber/highlights/2012/ber-2012-08-b/<img src='/~/media/ber/images/highlights/2012/08/single-celled-marine-cyanobacterium-cyanothece-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>A microbe able to produce hydrogen without typical poisoning by oxygen production.Mon, 18 Mar 2013 10:27:17 -0400 <p>One challenge to the commercialization of microbial production of hydrogen using sunlight is that the oxygen produced by photosynthesis decreases hydrogen production. Various biological mechanisms have evolved to separate the two reactions and scientists have been looking for engineering solutions, but the challenge is not yet solved. The bacteria produce hydrogen at relatively high rates without high cell density or inducing circadian rhythms, as required in studies by other researchers. Furthermore, there is little photo-damage and decay of the photosynthesis apparatus, perhaps enabled by the removal of excess electrons by the hydrogen production.</p> {69410B29-B4B8-422B-9909-BD007580F9D5}http://science.energy.gov/bes/highlights/2012/bes-2012-08-a/<img src='/~/media/A7C71133E9E44C73BDB4C360EDFEF132.ashx' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Squeezing creates new class of material built from clusters of carbon atoms.Fri, 10 May 2013 11:21:34 -0400<p>How do you dent diamond, one of the Earth&rsquo;s hardest materials? Researchers supported by the Energy Frontier Research in Extreme Environments EFRC&nbsp;created a new substance that can do just that. To make the new material, the researchers started with &lsquo;buckyballs,&rsquo; soccer-ball shaped cages composed of sixty carbons, and mixed them in a liquid solvent called xylene.&nbsp; The molecules of xylene served to &ldquo;link&rdquo; the buckyballs together in a regular, crystalline pattern like beads on a string. Finally, they squeezed the mixture in a diamond anvil cell in-situ in the synchrotron beam of the Advanced Photon Source. &nbsp; Something extraordinary happened around 320,000 times atmospheric pressure; the buckyballs collapsed and formed disordered, amorphous clusters but the xylene molecules held fast and still tethered the amorphous pieces together in a pattern like before. The resulting, never-before-seen structure was surprisingly hard; strong enough to dent the diamond anvil. The material stayed in the same structure even after the pressure had been released, which makes it potentially useful for a variety of different devices, especially future electronics. (<a href="/news/in-focus/2012/08-27-12/">Excerpt from DOE-SC's "In&nbsp;Focus"</a>)</p>{D22228B8-E380-443C-8C9F-1A5C90F59B34}http://science.energy.gov/np/highlights/2012/np-2012-07-a/<img src='/~/media/np/images/highlights/2012/07/acctinium-225-in-2-v-vials-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>High yield production of Ac-225 and Ra-223 by high energy proton bombardment of natural thorium targets.Thu, 28 Feb 2013 12:46:54 -0500 <p>Ac-225 is a rare but medically-prized radioactive isotope, since it has the ability to precisely destroy cancerous cells without damaging healthy surrounding cells. It also has a short half-life, which means it ceases to be radioactive after a short period of time. However, production of the isotope has been costly and meager, too meager to support essential clinical trials of medicines based on the isotope. Those shortages of Ac-225 could be significantly lessened by this research. Using proton beams, lab researchers demonstrated that the current annual supply of Ac-225 can be produced in less than a week. Beyond their expected use in treating common cancers, new medicines made with Ac-225 are likely to be especially effective at treating diffuse cancers, which have spread through healthy tissue instead of staying concentrated in a single tumor. Diffuse cancers are among the most difficult to treat, and in many cases are considered untreatable. A collaborative project among Los Alamos, Brookhaven, and Oak Ridge National Laboratories is underway to develop production scale targetry and chemical processing as continuation of this research.</p> {C85B942E-043A-4E98-9C4B-B09786ECD2D4}http://science.energy.gov/bes/highlights/2012/bes-2012-07-b/<img src='/~/media/34DCFCF74E5649CDA7424992D2865AA9.ashx' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Nanoscale features in rocks enable more carbon dioxide to be trapped as a solid carbonate material underground.Fri, 10 May 2013 16:30:03 -0400<p>Advanced experiments and computations have shown that underground carbonate mineral nucleation and growth is strongly dependent on nanoscale features such as the pore structure and surface topography of permeable rocks and the interfacial energies between rock surfaces and solid carbonates. This research at the Lawrence Berkeley National Laboratory&rsquo;s Center for Nanoscale Control of Geologic CO₂, Washington University in St. Louis, and Oregon State University provides the quantitative parameters necessary to develop advanced models that describe how nucleation and growth of carbonate occur in porous media that contain multiple minerals with different surface properties and micro- to nanoscale pores. In carbon capture and storage, CO₂ is captured from power plant exhaust and other sources and injected underground into porous rock formations where it mixes with ambient salt water and may remain for 1000&rsquo;s of years. Although it is expected that CO₂ can be transformed to carbonate minerals, it is unknown how fast this will occur and how the addition of new carbonate mineral in the rock formations will affect the short and long-term behavior of the system. This research will enable more realistic modeling of mineral formation from the injected CO₂ and thus increase the pace of deployment of this critical energy technology.</p>{01387CA8-3D86-4340-999D-8A58F6777792}http://science.energy.gov/bes/highlights/2012/bes-2012-07-a/<img src='/~/media/bes/images/highlights/2012/07/rogers-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>High-efficiency compound semiconductor solar cells can now be printed on flexible, plastics.Mon, 18 Mar 2013 10:16:57 -0400 <p>BES-supported research at the University of Illinois has resulted in an extensive intellectual property portfolio related to printable, high performance flexible and stretchable electronics and photovoltaics.  This fundamental research answers basic questions related to growth and manufacturing use of single crystalline semiconductors, dielectrics, metals, and devices formed from them.  This process also includes the use of a micro-transfer printing process that enables integration of pre-formed circuit elements to almost any substrate, including flexible types of plastic that can be integrated with optical over-layers for directing and focusing the light.  This research has directly led to a development program on concentrator photovoltaic modules, in partnership with Semprius Corporation, under the DOE Energy Efficiency and Renewable Energy’s <a href="http://www1.eere.energy.gov/solar/sunshot/incubator.html">SunShot Initiative Program </a>with the goal of establishing new materials strategies and manufacturing methods for low cost, high performance photovoltaic modules.  Semprius Corp and MC10, another startup company focused on stretchable electronics for biomedical applications, have licenses for applications in photovoltaics, flexible electronics and large area displays.  In 2012, Semprius set a new world record for photovoltaic module efficiency, reaching 33.9 percent.</p> {E51F3176-915C-41B1-A404-1AEB2F94CF2E}http://science.energy.gov/np/highlights/2012/np-2012-06-a/<img src='/~/media/np/images/highlights/2012/06/fig1-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>New calculations have quantified the boundaries and uncertainties of the ‘chart of the nuclides’—the extended periodic table of all matter.Tue, 27 Nov 2012 12:45:56 -0500 <p>There are 288 stable or nearly stable nuclei that occur in nature, comprising 99.9 percent of the matter in the visible world around us. Some 3,000 more have been synthesized in laboratories. These nuclear species have been mapped onto a chart of nuclides—the periodic table of the nuclear physics world. Until recently, the boundaries marking the edge of where nuclei can exist in this nuclear landscape—where the addition of one more proton or one more neutron will cause the nucleus to fall apart—has been highly uncertain, especially for heavier elements. Research using a technique known as nuclear density functional theory carried out at the University of Tennessee and ORNL using one of the world’s most powerful supercomputers now predicts that the number of bound nuclides with atomic numbers between 2 and 120 is around 7,000. These findings represent a major advance in our understanding of nuclear stability, and where the ultimate limits of nuclear existence occur. Understanding the stability of nuclides is important to many applications and to natural phenomena such as the stellar processes that create the matter around us.</p> {5D57B763-F10F-455A-A9DA-9F8F5304AD9B}http://science.energy.gov/ber/highlights/2012/ber-2012-06-a/<img src='/~/media/ber/images/highlights/2012/06/ad-2009-sep-20-amanita-muscaria-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Insights into the origin of ligninases can help develop processes to convert biomass into bioenergy.Mon, 18 Mar 2013 10:27:19 -0400 <p>Much of the world’s coal was generated 300–360 million years ago during the Carboniferous period. Wood (a major pool of organic carbon that is highly resistant to decay largely due to its lignin content) was deposited, transformed to peat, and eventually transformed to coal. But coal formation may also have declined from an unlikely source - fungi. These fungi had enzymes (ligninases) capable of degrading lignin, a category of enzyme important for the Department of Energy’s bioenergy mission, since lignin in plant biomass hinders biomass conversion to biofuels. By comparing the genomic sequences of 31 fungi, including 12 sequenced for this study, the researchers showed that genes able to degrade lignin first appeared at the end of this period. Instead of becoming coal, the plant biomass decayed and the carbon was released into the atmosphere as carbon dioxide.</p> {CC675AE6-9F6E-43AD-A1F4-0F1A13A02B43}http://science.energy.gov/ber/highlights/2012/ber-2012-06-b/<img src='/~/media/ber/images/highlights/2012/06/journal-pone-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>A microbe not known for cellulose degradation has 15 cellulases that may improve biofuel production.Fri, 10 May 2013 16:38:17 -0400 <p>The biotechnology and biofuels industries are particularly interested in cellulases, enzymes that break down cellulose, the most abundant organic compound on Earth and the component that makes up 33 percent of all plant matter. Cellulases from a group of aerobic bacteria called <em>Actinobacteria</em> are of special interest as sources of enzymes useful for biofuel production from lignocellulosic biomass. They have distinct features and cellular organization when contrasted to those in anaerobic bacteria (such as the <em>Clostridia</em>). The DOE Joint Genome Institute (JGI) has sequenced the genomes of eleven diverse strains of these bacteria. Comparative analysis using the JGI’s Integrated Microbial Genomes system followed by experimental verification identified eight cellulolytic Actinobacterial species that were not previously known to degrade cellulose. Of seven organisms tested, six showed activity in assays for cellulases. This work, conducted under the umbrella of the JGI’s Genomic Encyclopedia of Bacteria and Archaea (GEBA) project, broadens the repertoire of useful enzymes beyond those previously recognized.</p> {B048B78A-D799-4A76-A7CF-E14F3637AC64}http://science.energy.gov/ber/highlights/2012/ber-2012-06-c/<img src='/~/media/ber/images/highlights/2012/06/lintner-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Impacts of anthropogenic warming on tropical land region rainfall.Fri, 10 May 2013 16:38:22 -0400 <p>Quantifying how global warming impacts the spatiotemporal distribution of precipitation represents a key scientific challenge with profound implications for human systems.  In particular, tropics-wide precipitation frequencies for 25-year periods over the late 21st and 20th centuries show increased late-21st-century occurrence of both extremes in the model ensemble and across individual models.  Similar diagnostics are calculated for two 15-year subperiods from 1979-2008 to assess whether the signature of late-21st-century warming has already emerged in response to recent warming.  While both the observations and CMIP3 ensemble-mean hint at similar amplification in the warmer (1994-2008) subinterval, the changes are not robust, as substantial differences are evident among the observational products and the intraensemble spread is large.  Comparing results from the warmest and coolest years of the observational period further demonstrates effects of internal variability, notably the El Niño/Southern Oscillation, which appear to oppose the impact of quasi-uniform anthropogenic warming on the wet tail of the monthly precipitation distribution.</p> {9F31DFD5-71FD-4EB0-9ACC-7B6A2E1E5E79}http://science.energy.gov/bes/highlights/2012/bes-2012-06-a/<img src='/~/media/bes/images/highlights/2012/06/ccei-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>House-of-Cards structure leads to improved zeolite catalyst.Mon, 18 Mar 2013 10:16:57 -0400 <p>Increasing demand for energy and materials has led to an accelerated research effort in the development of renewable chemicals for a sustainable economy. Efforts within the Catalysis Center for Energy Innovation (CCEI), a DOE-funded Energy Frontier Research Center (EFRC), are aimed at realizing novel catalytic processes for production of chemicals and fuels from biomass-derived feedstocks by bridging catalyst design, reaction engineering and fundamental understanding of reaction mechanism. The researchers used a novel and simple synthesis technique, called repetitive branching, to stack the thin zeolite sheets at right angles generating a "house-of-cards" shaped crystal. By creating zeolite crystals with large-pore "highways," which are about 10 times bigger than the zeolite pores, chemicals and molecules can pass rapidly through the channels to reach the smaller, reactive pores within the crystal. This results in faster, more selective, and more stable catalysts, produced at the same cost as traditional zeolite catalysts. Research was performed at the University of Minnesota and has been licensed to Argilex.</p> {827B7490-9130-45F4-9738-7AA505E6863D}http://science.energy.gov/ascr/highlights/2012/ascr-2012-06-a/<img src='/~/media/ascr/images/highlights/2012/06/gtoc-thumb.jpg' align='left' style='height:75px;width:135px;margin-right:10px;margin-bottom:10px;'/>Researchers use NERSC to Create Carbon Dioxide-Separating Polymer.Fri, 10 May 2013 16:35:53 -0400 <p>Using supercomputers at the Department of Energy’s National Energy Research Scientific Computing Center (NERSC), researchers from Haverford College have come up with a new type of two-dimensional polymer, PG-ES1, which allows, in theory, for highly efficient separation of carbon dioxide. Based on simulations, PG-ES1 is predicted to be more than 100-times as permeable to carbon dioxide than the best existing materials, while maintaining a rejection of nitrogen and methane gases that meets or exceeds the best existing materials. This allows it to act as a molecular filter that lets the carbon dioxide to pass through easily, while preventing other gases from escaping. Haverford Assistant Professor of Chemistry Joshua Schrier authored a paper on this new material in the most recent issue of ACS Applied Materials and Interfaces. He says the key to the new process is to utilize both the preferential adsorption of carbon dioxide gas molecules on the surface and the ability to create small, nanometer-sized pores in the surface. “Nitrogen and carbon dioxide are linear molecules, and the holes are too small to allow them to enter in any way other than along their ‘skinniest’ dimensions,” says Schrier. “As it turns out, carbon dioxide is a little skinnier than nitrogen, which allows it to pass through the hole more readily. Although it is unlikely that a random molecule would have the correct orientation, the surface adsorption helps increase the local concentration of carbon dioxide and allows each carbon dioxide molecule to try several attempts at different orientations until it finds the correct one, which ‘stacks the deck’ in favor of carbon dioxide passage. Nobody has previously considered the role of surface adsorption on the barrier crossing process, but it is absolutely crucial for performing this type of separation.”</p>