Publications

Peer-reviewed publications of research supported in part or in whole under an EFRC are listed below. Publications are ordered first by year, then alphabetically by EFRC acronym, and finally alphabetically by first author. Links to the DOI and associated EFRC appear at the end of each citation. The publication list is updated periodically; the last such update was May 5, 2016. To search the most current list of EFRC publications, go to http://www.energyfrontier.us/External link (upper right corner).

3401.Bullock, R. Morris  Abundant Metals Give Precious Hydrogenation Performance  Science, 342, 1054-1055 (2013).  [DOI: 10.1126/science.1247240External link] [CME]
3402.Das, Atanu K; Engelhard, Mark H; Liu, Fei; Bullock, R. Morris; and Roberts, John A S  The electrode as organolithium reagent: catalyst-free covalent attachment of electrochemically active species to an azide-terminated glassy carbon electrode surface.  Inorganic Chemistry, 52, 13674-13684 (2013).  [DOI: 10.1021/ic402247nExternal link] [CME]
3403.Dutta, Arnab; Lense, Sheri; Hou, Jianbo; Engelhard, Mark H; Roberts, John A S; and Shaw, Wendy J.  Minimal Proton Channel Enables H2 Oxidation and Production with a Water-Soluble Nickel-Based Catalyst  Journal of the American Chemical Society, 135, 18490-18496 (2013).  [DOI: 10.1021/ja407826dExternal link] [CME]
3404.Fernandez, Laura E; Horvath, Samantha; and Hammes-Schiffer, Sharon  Theoretical Design of Molecular Electrocatalysts with Flexible Pendant Amines for Hydrogen Production and Oxidation  The Journal of Physical Chemistry Letters, 4, 542-546 (2013).  [DOI: 10.1021/jz3020277External link] [CME]
3405.Franz, James A; O'Hagan, Molly J.; Ho, Ming-Hsun; Liu, Tianbiao; Helm, Monte L.; Lense, Sheri; DuBois, Daniel L.; Shaw, Wendy J.; Appel, Aaron M.; Raugei, Simone; and Bullock, R. Morris  Conformational Dynamics and Proton Relay Positioning in Nickel Catalysts for Hydrogen Production and Oxidation  Organometallics, 32, 7034-7042 (2013).  [DOI: 10.1021/om400695wExternal link] [CME]
3406.Heiden, Zachariah M; Chen, Shentan; Mock, Michael T; Dougherty, William G; Kassel, W Scott; Rousseau, Roger J; and Bullock, R. Morris  Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine  Inorganic Chemistry, 52, 4026-4039 (2013).  [DOI: 10.1021/ic4000704External link] [CME]
3407.Ho, Ming-Hsun; Chen, Shentan; Rousseau, Roger J; Dupuis, Michel; Bullock, R. Morris; and Raugei, Simone  Bio-Inspired Molecular Catalysts for Hydrogen Oxidation and Hydrogen Production  Applications of Molecular Modeling to Challenges in Clean Energy, 1133, 89-111 (2013).  [DOI: 10.1021/bk-2013-1133.ch006External link] [CME]
3408.Ho, Ming-Hsun; Raugei, Simone; Rousseau, Roger J; Dupuis, Michel; and Bullock, R. Morris  Evaluation of the Role of Water in the H2 Bond Formation by Ni(II)-Based Electrocatalysts  Journal of Chemical Theory and Computation, 9, 3505-3514 (2013).  [DOI: 10.1021/ct400396sExternal link] [CME]
3409.Hoffert, Wesley A; Roberts, John A S; Bullock, R. Morris; and Helm, Monte L.  Production of H2 at fast rates using a nickel electrocatalyst in water-acetonitrile solutions  Chemical Communications, 49, 7767-7769 (2013).  [DOI: 10.1039/C3CC43203CExternal link] [CME]
3410.Hoffert, Wesley A; Mock, Michael T; Appel, Aaron M.; and Yang, Jenny Y  Incorporation of Hydrogen-Bonding Functionalities into the Second Coordination Sphere of Iron-Based Water-Oxidation Catalysts  European Journal of Inorganic Chemistry, , (2013).  [DOI: 10.1002/ejic.201201499External link] [CME]
3411.Horvath, Samantha; Fernandez, Laura E; Appel, Aaron M.; and Hammes-Schiffer, Sharon  pH-Dependent Reduction Potentials and Proton-Coupled Electron Transfer Mechanisms in Hydrogen-Producing Nickel Molecular Electrocatalysts  Inorganic Chemistry, 52, 3643-3652 (2013).  [DOI: 10.1021/ic302056jExternal link] [CME]
3412.Hulley, Elliott B; Welch, Kevin D; Appel, Aaron M.; DuBois, Daniel L.; and Bullock, R. Morris  Rapid, Reversible Heterolytic Cleavage of Bound H2  Journal of the American Chemical Society, 135, 11736-11739 (2013).  [DOI: 10.1021/ja405755jExternal link] [CME]
3413.Liu, Tianbiao; DuBois, Daniel L.; and Bullock, R. Morris  An iron complex with pendent amines as a molecular electrocatalyst for oxidation of hydrogen  Nature Chemistry, 5, 228-233 (2013).  [DOI: 10.1038/nchem.1571External link] [CME]
3414.Mock, Michael T; Chen, Shentan; O'Hagan, Molly J.; Rousseau, Roger J; Dougherty, William G; Kassel, W Scott; and Bullock, R. Morris  Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-Membered Phosphorus Macrocycle  Journal of the American Chemical Society, 135, 11493-11496 (2013).  [DOI: 10.1021/ja405668uExternal link] [CME]
3415.Nepomnyashchii, Alexander B; Kolesov, G; and Parkinson, B A  Electrogenerated Chemiluminescence of BODIPY, Ru(bpy)32+, and 9,10-Diphenylanthracene Using Interdigitated Array Electrodes  ACS Applied Materials & Interfaces, 5, 5931-5936 (2013).  [DOI: 10.1021/am4010623External link] [CME]
3416.Nepomnyashchii, Alexander B; Liu, Fei; Roberts, John A S; and Parkinson, Bruce A  Application of Gold Electrodes for the Study of Nickel Based Homogeneous Catalysts for Hydrogen Oxidation  Journal of Electrochemistry and Plating Technology, 8, 3-7 (2013).  [DOI: 10.12850/ISSN2196-0267.JEPT2269External link] [CME]
3417.Roberts, John A S; and Bullock, R. Morris  Direct Determination of Equilibrium Potentials for Hydrogen Oxidation/Production by Open Circuit Potential Measurements in Acetonitrile  Inorganic Chemistry, 52, 3823-3835 (2013).  [DOI: 10.1021/ic302461qExternal link] [CME]
3418.Shaw, Wendy J.; Helm, Monte L.; and DuBois, Daniel L.  A modular, energy-based approach to the development of nickel containing molecular electrocatalysts for hydrogen production and oxidation  Biochimica et Biophysica Acta (BBA) - Bioenergetics, 1827, 1123-1139 (2013).  [DOI: 10.1016/j.bbabio.2013.01.003External link] [CME]
3419.Stewart, Michael P; Ho, Ming-Hsun; Wiese, Stefan; Lindstrom, Mary Lou; Thogerson, Colleen E; Raugei, Simone; Bullock, R. Morris; and Helm, Monte L.  High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Cyclic Diphosphine Ligands Containing One Pendant Amine  Journal of the American Chemical Society, 135, 6033-6046 (2013).  [DOI: 10.1021/ja400181aExternal link] [CME]
3420.Wiedner, Eric S; Appel, Aaron M.; DuBois, Daniel L.; and Bullock, R. Morris  Thermochemical and Mechanistic Studies of Electrocatalytic Hydrogen Production by Cobalt Complexes Containing Pendant Amines  Inorganic Chemistry, 52, 14391-14403 (2013).  [DOI: 10.1021/ic4025475External link] [CME]
3421.Wiedner, Eric S; Roberts, John A S; Dougherty, William G; Kassel, W Scott; DuBois, Daniel L.; and Bullock, R. Morris  Synthesis and Electrochemical Studies of Cobalt(III) Monohydride Complexes Containing Pendant Amines  Inorganic Chemistry, 52, 9975-9988 (2013).  [DOI: 10.1021/ic401232gExternal link] [CME]
3422.Wiese, Stefan; Kilgore, Uriah J; Ho, Ming-Hsun; Raugei, Simone; DuBois, Daniel L.; Bullock, R. Morris; and Helm, Monte L.  Hydrogen Production Using Nickel Electrocatalysts with Pendant Amines: Ligand Effects on Rates and Overpotentials  ACS Catalysis, 3, 2527-2535 (2013).  [DOI: 10.1021/cs400638fExternal link] [CME]
3423.Yang, Jenny Y; Smith, Stuart E; Liu, Tianbiao; Dougherty, William G; Hoffert, Wesley A; Kassel, W Scott; Rakowski DuBois, Mary; DuBois, Daniel L.; and Bullock, R. Morris  Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere  Journal of the American Chemical Society, 135, 9700-9712 (2013).  [DOI: 10.1021/ja400705aExternal link] [CME]
3424.Anderoglu, O; Zhou, M J; Wang, Y. -Q.; Maloy, S A; and Misra, A  He+ Ion Irradiation of Fe-TiO2 Multilayers  Journal of Nuclear Materials, 435, 96-101 (2013).  [DOI: 10.1016/j.jnucmat.2012.12.036External link] [CMIME]
3425.Bai, X. M.; and Uberuaga, B. P.  On the influence of grain boundaries on radiation-induced point defect production in materials: a review of atomistic studies  JOM, 65, 360-373 (2013).  [DOI: 10.1007/s11837-012-0544-5External link] [CMIME]
3426.Beyerlein, I J; Caro, J. A.; Demkowicz, M J; Mara, N A; Misra, A; and Uberuaga, B. P.  Radiation-Damage-Tolerant Nanomaterials  Materials Today, 16, 443-449 (2013).  [DOI: 10.1016/j.mattod.2013.10.019External link] [CMIME]
3427.Beyerlein, I J; Wang, J.; and Zhang, R F  Mapping dislocation nucleation behavior from bimetal interfaces  Acta Materialia, 61, 7488-4799 (2013).  [DOI: 10.1016/j.actamat.2013.08.061External link] [CMIME]
3428.Beyerlein, I J; Wang, J.; and Zhang, R F  Interface-dependent nucleation in nanostructured layered composites  Appl. Phys. Lett. Materials, 1, 032112 (2013).  [DOI: 10.1063/1.4820424External link] [CMIME]
3429.Beyerlein, I J; Wang, J.; Kang, K.; Zheng, S J; and Mara, N A  Twinnability of bimetal interfaces in nanostructured composites  Materials Research Letters, 1, 89-95 (2013).  [DOI: 10.1080/21663831.2013.782074External link] [CMIME]
3430.Beyerlein, I J; Mara, N A; Carpenter, J S; Nizolek, T; Mook, W; Wynn, T A; McCabe, R J; Mayeur, J; Kang, K.; Zheng, S J; Wang, J.; and Pollock, T M  Interface-driven microstructure development and ultra high strength of bulk nanostructured Cu/Nb multilayers fabricated by severe plastic deformation  Journal of Materials Research, 28, 1719-1812 (2013).  [DOI: 10.1557/jmr.2013.21External link] [CMIME]
3431.Bi, Z.; Uberuaga, B. P.; Vernon, L J; Fu, E G; Wang , Y; Li, Nan; Wang, H; Misra, AMit; and Jia, Q X  Radiation damage in heteroepitaxial BaTiO3 thin films on SrTiO3 under Ne ion irradiation  Journal of Applied Physics, 113, 023513 (2013).  [DOI: 10.1063/1.4775495External link] [CMIME]
3432.Borovikov, V.; Tang, X. -Z.; Perez, D.; Bai, X. M.; Uberuaga, B. P.; and Voter, A. F.  Coupled motion of interstitial-loaded grain boundaries in bcc tungsten as a possible radiation damage healing mechanism under fusion reactor conditions  Nuclear Fusion, 53, 063001 (2013).  [DOI: 10.1088/0029-5515/53/6/063001External link] [CMIME]
3433.Borovikov, V.; Tang, X. -Z.; Perez, D.; Bai, X. M.; Uberuaga, B. P.; and Voter, A. F.  Influence of point defects on grain boundary mobility in bcc tungsten  J. Phys.: Condens. Matter, 25, 035402 (2013).  [DOI: 10.1088/0953-8984/25/3/035402External link] [CMIME]
3434.Brandl, C.; Germann, T. C.; Perez-Bergquist, A.; and Cerreta, E K  Grain boundary motion under dynamic loading: mechanism and large-scale molecular dynamics simulations  Materials Research Letters, 1, 220 (2013).  [DOI: 10.1080/21663831.2013.830993External link] [CMIME]
3435.Caro, J. A.; Schwen, D.; and Martinez, E  Structure of nanoscale gas bubbles in metals  Applied Physics Letters, 103, 213115 (2013).  [DOI: 10.1063/1.4833775External link] [CMIME]
3436.Carpenter, J S; Zheng, S J; Zhang, R F; Vogel, S. C.; Beyerlein, I J; and Mara, N A  Thermal Stability of Cu-Nb Nanolamellar Composites Fabricated via Accumulative Roll Bonding  Philosophical Magazine, 93, 718-735 (2013).  [DOI: 10.1080/14786435.2012.731527External link] [CMIME]
3437.Carpenter, J S; McCabe, R J; Beyerlein, I J; Wynn, T A; and Mara, N A  A wedge-mounting technique for nanoscale electron backscatter diffraction  Journal of Applied Physics, 113 (9), (2013).  [DOI: 10.1063/1.4794388External link] [CMIME]
3438.Dunn, A. Y.; Capolungo, L.; Martinez, E; and Cherkaoui, M.  Spatially resolved stochastic cluster dynamics for radiation damage evolution in nanostructured metals  Journal of Nuclear Materials, 443, 128-139 (2013).  [DOI: 10.1016/j.jnucmat.2013.07.009External link] [CMIME]
3439.Dunn, A. Y.; McPhie, M. G.; Capolungo, L.; Martinez, E; and Cherkaoui, M.  Helium bubble formation and retention in Cu-Nb nanocomposites  JOURNAL OF NUCLEAR MATERIALS, 435, 141-152 (2013).  [DOI: 10.1016/j.jnucmat.2012.12.041External link] [CMIME]
3440.Escobedo, J. P.; Cerreta, E K; Dennis-Koller, D.; Trujillo, Carl P.; and Bronkhorst, C A  Influence of Boundary Structure and Near Neighbor Crystallographic Orientation on the Dynamic Damage Evolution During Shock Loading  Phil. Mag., 93, 833-846 (2013).  [DOI: 10.1080/14786435.2012.734638External link] [CMIME]
3441.Fensin, S J; Brandl, C.; Cerreta, E K; Gray III, G. T.; Germann, T. C.; and Valone, S M  Nanoscale Plasticity at Grain Boundaries in FCC Copper Under Shock Loading  JOM, , (2013).  [DOI: 10.1007/s11837-012-0546-3External link] [CMIME]
3442.Fensin, S J; Valone, S M; Cerreta, E K; Gray III, G. T.; Kang, K.; and Wang, J.  Effect of Grain Boundary Structure on Plastic Deformation During Shock Compression Using Molecular Dynamics  Modeling and Simulations in Materials Science and Engineering, 21, 015011 (2013).  [DOI: 10.1088/0965-0393/21/1/015011External link] [CMIME]
3443.Han, W Z; Demkowicz, M J; Mara, N A; Fu, E G; Sinha, S; Rollett, A. D.; Wang, Y Q; Carpenter, J S; Beyerlein, I J; and Misra, A  Design of Radiation Tolerant Materials via Interface Engineering  Advanced Materials, 25, 6975-79 (2013).  [DOI: 10.1002/adma.201303400External link] [CMIME]
3444.Han, W Z; Fu, E G; Demkowicz, M J; Wang, Y Q; and Misra, A  Irradiation Damage of Single Crystal, Coarse-grained and Nano-grained Copper under Helium Bombardment at 450°C  Journal of Materials Research, 28(20), 2763-70 (2013).  [DOI: 10.1557/jmr.2013.283External link] [CMIME]
3445.Hong, M; Wohlwend, Jennifer L; Behera, R K; Phillpot, Simon R. ; Sinnott, Susan B; and Uberuaga, B. P.  Surface diffusion on SrTiO3 (100): A temperature accelerated dynamics and first principles study  Surface Science, 617, 237 (2013).  [DOI: 10.1016/j.susc.2013.08.002External link] [CMIME]
3446.Hong, M; Uberuaga, B. P.; Andersson, David A; Stanek, C R; Phillpot, Simon R. ; and Sinnott, Susan B  Role of electronic effects on the incorporation of Cr at a Σ5 grain boundary in UO2  Computational Materials Science, 78, 29-33 (2013).  [DOI: 10.1016/j.commatsci.2013.05.008External link] [CMIME]
3447.Hunter, A; and Beyerlein, I J  Unprecedented grain size effect on stacking fault width  APL Materials, 1, 032109 (2013).  [DOI: 10.1063/1.4820427External link] [CMIME]
3448.Kashinath, A; Wang, Peng; Majewski, Jaroslaw; Baldwin, J K; Wang, Y Q; and Demkowicz, M J  Detection of helium bubble formation at fcc-bcc interfaces using neutron reflectometry  Journal of Applied Physics, 114, 043505 (2013).  [DOI: 10.1063/1.4813780External link] [CMIME]
3449.Kashinath, A; Demkowicz, M J; and Misra, A  Stable Storage of Helium in Nanoscale Platelets at Semicoherent Interfaces  Physical Review Letters, 110, 086101 (2013).  [DOI: 10.1103/PhysRevLett.110.086101External link] [CMIME]
3450.Knezevic, M; Beyerlein, I J; Nizolek, T; Mara, N A; and Pollock, T M  Report on anomalous basal slip activity in zirconium under high-strain deformation  Materials Research Letters, 1 (3), 133-140 (2013).  [DOI: 10.1080/21663831.2013.794375External link] [CMIME]
3451.Kolluri, K; Liu, X. -Y.; Hoagland, R. G.; and Demkowicz, M J  Behavior of Vacancies and Interstitials at Semicoherent Interfaces  JOM, 65, 374-381 (2013).  [DOI: 10.1007/s11837-012-0540-9External link] [CMIME]
3452.Kumar, N. Naveen; Martinez, E; Dutta, B. K.; Dey, G. K.; and Caro, J. A.  Nodal effects in a-iron dislocation mobility in the presence of helium bubbles  Phys. Rev. B, 87, 054106 (2013).  [DOI: 10.1103/PhysRevB.87.054106External link] [CMIME]
3453.Li, N; Hattar, K.; and Misra, A  In situ probing of the evolution of irradiation-induced defects in copper  Journal of Nuclear Materials, , (2013).  [DOI: 10.1016/j.jnucmat.2013.04.013External link] [CMIME]
3454.Li, N; Wang, J.; Wang, Y Q; Serruys, Y.; Nastasi, Michael; and Misra, A  Incoherent twin boundary migration induced by ion irradiation in Cu  Journal of Applied Physics, 113, 023508 (2013).  [DOI: 10.1063/1.4774242External link] [CMIME]
3455.Monclús, M A; Zheng, S J; Mayeur, J; Beyerlein, I J; and Mara, N A  Optimum high temperature strength of two-dimensional nanocomposites  Applied Physics Letters Materials, 15, 052103 (2013).  [DOI: 10.1063/1.4828757External link] [CMIME]
3456.Sampedro, J M; del Rio, Emma; Caturla, M. J.; Caro, J. A.; Caro, M; and Perlado, J M  Stability of vacancy clusters in FeCr alloys: A study of the Cr concentration dependence  Nuclear Instruments and Methods in Physics Research B, 303, 46–50 (2013).  [DOI: 10.1016/j.nimb.2012.09.024External link] [CMIME]
3457.Shao, S.; Wang, J.; Misra, A; and Hoagland, R. G.  Spiral patterns of dislocations at nodes in (111) semi-coherent FCC interfaces  Scientific Reports, 3, 2448 (2013).  [DOI: 10.1038/srep02448External link] [CMIME]
3458.Suresh, K. S.; Rollett, A. D.; and Suwas, S.  Evolution of microstructure and texture during deformation and recrystallization of heavily rolled Cu-Cu multilayer  Metallurgical & Materials Transactions A, 44 (8), 3866-3881 (2013).  [DOI: 10.1007/s11661-013-1749-0External link] [CMIME]
3459.Uberuaga, B. P.; Bai, Xian-Ming; Dholabhai, P P; Moore, N; and Duffy, D M  Point defect – grain boundary interactions in MgO: an atomistic study  Journal of Physics: Condensed Matter, 25, 355001 (2013).  [DOI: 10.1088/0953-8984/25/35/355001External link] [CMIME]
3460.Uberuaga, B. P.; and Vernon, L J  Interstitial and vacancy mediated transport mechanisms in perovskites: a comparison of chemistry and potentials  Solid State Ionics, 253, 18-26 (2013).  [DOI: 10.1016/j.ssi.2013.08.022External link] [CMIME]
3461.Uberuaga, B. P.; Martinez, E; Bi, Z.; Zhuo, M J; Jia, Q X; Nastasi, Michael; Misra, A; and Caro, Jose Alfredo  Defect Distributions and Transport in Nanocomposites: A Theoretical Perspective  Materials Research Letters, 1, 193 (2013).  [DOI: 10.1080/21663831.2013.805442External link] [CMIME]
3462.Vattre, A J; and Demkowicz, M J  Determining the Burgers vectors and elastic strain energies of interface dislocation arrays using anisotropic elasticity theory  Acta Materialia, 61, 5172 (2013).  [DOI: 10.1016/j.actamat.2013.05.006External link] [CMIME]
3463.Vo, N.; Zhou, J; AshKenazy, Y.; Schwen, D.; Averback, R. S.; and Bellon, P  Atomic mixing in metals under shear deformation  JOM, 65, 382-389 (2013).  [DOI: 10.1007/s11837-012-0542-7External link] [CMIME]
3464.Wang, J.; Zhang, R. F. ; C, Zhou; Beyerlein, I J; and Misra, A  Characterizing interface dislocations by atomically informed Frank-Bilby theory  Journal of Materials Research, , (2013).  [DOI: 10.1557/jmr.2013.34External link] [CMIME]
3465.Won, Jonghan; Vernon, L J; Karakuscu, A; Dickerson, R M; Cologna, M; Raj, R; Wang , Y; Yoo, Seung-Ho Jo; Lee, Seok-Hoon; Misra, A; and Uberuaga, B. P.  The role of non-stoichiometric defects on radiation damage evolution in SrTiO3  Journal of Materials Chemistry A, 1 (32), 9235 - 9245 (2013).  [DOI: 10.1039/c3ta11046jExternal link] [CMIME]
3466.Wynn, T A; Bhattacharyya, D; Hammon, D L; Misra, AMit; and Mara, N A  Large strain deformation of bimodal layer thickness Cu/Nb nanolamellar composites   Materials Science and Engineering A, 564, 213-217 (2013).  [DOI: 10.1016/j.msea.2012.11.114External link] [CMIME]
3467.Zepeda-Ruiz, L; Martinez, E; Caro, M; Fu, E G; and Caro, J. A.  Deformation mechanisms of irradiated metallic nanofoams  Applied Physics Letters, 103, 031909 (2013).  [DOI: 10.1063/1.4813863External link] [CMIME]
3468.Zhang, L; and Demkowicz, M J  Morphological Stability of Cu-Nb Nanocomposites under High-energy Collision Cascades  Applied Physics Letters, 103, 061604 (2013).  [DOI: 10.1063/1.4817785External link] [CMIME]
3469.Zhang, Liang; Martinez, E; Caro, Jose Alfredo; Liu, X. Y.; and Demkowicz, M J  Liquid phase thermodynamics and structures in Cu and Nb binary system  Modelling and Simulation in Mater. Sci. and Eng., 21, 025005 (2013).  [DOI: 10.1088/0965-0393/21/2/025005External link] [CMIME]
3470.Zhang, R F; Germann, T. C.; Liu, X. -Y.; Wang, J.; and Beyerlein, I J  Role of interface structure on the plastic response of Cu/Nb nanolaminates under shock compression: non-equilibrium molecular dynamics simulations  Scripta Materialia, 68, 114-117 (2013).  [DOI: 10.1016/j.scriptamat.2012.09.022External link] [CMIME]
3471.Zheng, S J; Beyerlein, I J; Carpenter, J S; Kang, K.; Wang, J.; Han, W Z; and Mara, N A  High strength and thermally stable bulk nanolayered composites due to twin-induced interfaces  Nature Communications, 4, 1696 (2013).  [DOI: 10.1038/ncomms2651External link] [CMIME]
3472.Zhuo, M J; Yan, L; Fu, E G; Wang, Y Q; Misra, A; Nastasi, Michael; Uberuaga, B. P.; and Jia, Q X  Phase transformations and defect clusters in single crystal SrTiO3 irradiated at different temperatures  J. Nucl. Mater, 442, 143 (2013).  [DOI: 10.1016/j.jnucmat.2013.08.046External link] [CMIME]
3473.Ahmed, Karim; Yablinsky, Clarissa ; Schulte, A.; Allen, Todd R.; and El-Azab, Anter  Phase field modeling of the effect of porosity on grain growth kinetics in polycrystalline ceramics  Modelling and Simulation in Materials Science and Engineering, 21, Number 6, 065005 (2013).  [DOI: 10.1088/0965-0393/21/6/065005External link] [CMSNF]
3474.Bai, Xian-Ming; and Uberuaga, B. P.  On the influence of grain boundaries on radiation damage production in materials: a review of theoretical studies  JOM, 65, No. 3, 360-373 (2013).  [DOI: 10.1007/s11837-012-0544-5External link] [CMSNF]
3475.Bai, Xian-Ming; El-Azab, Anter ; Yu, Jianguo; and Allen , Todd R.  Migration Mechanisms of oxygen interstitial clusters in UO2  Journal of Physics - Condensed Matter, 25, 015003 (2013).  [DOI: 10.1088/0953-8984/25/1/015003External link] [CMSNF]
3476.Chernatynskiy, Aleksandr; and Phillpot, Simon R.  Thermal Conductivity of Argon and High Pressure from First Principles Calculations  Journal of Applied Physics, 114, 064902 (2013).  [DOI: 10.1063/1.4817901External link] [CMSNF]
3477.Chernatynskiy, Aleksandr; Phillpot, Simon R. ; and LeSar, Richard  Uncertainty Quantification in Multiscale Simulation of Materials: A Prospective  Annual Review of Materials Research, 43, 157-182 (2013).  [DOI: 10.1146/annurev-matsci-071312-121708External link] [CMSNF]
3478.Deng, Bowen; Chernatynskiy, Aleksandr; Shukla, P; Sinnott, Susan B; and Phillpot, Simon R.  Effect of Edge Dislocation on Thermal Transport in UO2  Journal of Nuclear Materials, 434, 203-209 (2013).  [DOI: 10.1016/j.jnucmat.2012.11.043External link] [CMSNF]
3479.Deskins, W. Ryan ; and El-Azab, Anter  Monte Carlo Simulation of Phonon Transport in UO2 Single Crystals  Modeling and Simulation in Materials Science and Engineering, 21, Issue 2 , (2013).  [DOI: 10.1088/0965-0393/21/2/025013External link] [CMSNF]
3480.Hassan, Abdel-Rahman; El-Azab, Anter ; Yablinsky, Clarissa ; and Allen, Todd R.  Defect Disorder in UO2  Journal of Solid State Chemistry, 204, 136-145 (2013).  [DOI: 10.1016/j.jssc.2013.05.026External link] [CMSNF]
3481.He, Lingfeng ; Gupta, Mahima; Yablinsky, Clarissa ; Gan , Jian ; Kirk, Marquis A.; Bai, Xian-Ming; Pakarinen, Janne; and Allen , Todd R.  In Situ TEM Observation of Dislocation Evolution in Kr-Irradiated UO2 Single Crystal  Journal of Nuclear Materials, 443, 71-77 (2013).  [DOI: 10.1016/j.jnucmat.2013.06.050External link] [CMSNF]
3482.He, Lingfeng ; Yablinsky, Clarissa ; Gupta, Mahima; Gan , Jian ; Kirk, Marquis A.; and Allen , Todd R.  Transmission Electron Microscopy Investigation of Krypton Bubbles in Polycrystalline CeO2  Nuclear Technology, 182, 164-169 (2013).  [DOI: 10./unknownExternal link] [CMSNF]
3483.Hong, Minki; Uberuaga, Blas P.; Andersson, David A; Christopher, Stanek R.; Phillpot, Simon R. ; and Sinnott, Susan B  Role of electronic effects on the incorporation of Cr at a Σ5 grain boundary in UO2  Computational Materials Science, 78, 29-33 (2013).  [DOI: 10.1016/j.commatsci.2013.05.008External link] [CMSNF]
3484.Hong, Minki; Uberuaga, Blas P.; Phillpot, Simon R. ; Andersson, David A; Stanek, Christopher R.; and Sinnott, Susan B  The role of charge and ionic radius on fission product segregation to a model UO2 grain boundary  Journal of Applied Physics, 113, 134902 (2013).  [DOI: 10.1063/1.4798347External link] [CMSNF]
3485.Li, Yangzhong; Liang, Tao; Sinnott, Susan B; and Phillpot, Simon R.  A Charge Optimized Many-Body (COMB) Potential for the U-UO2 System  Journal of Physics: Condensed Matter, 25, 505401 (2013).  [DOI: 10.1088/0953-8984/25/50/505401External link] [CMSNF]
3486.Lin, Jianliang ; Henderson , Hunter ; Manuel , Michele ; and Sproul, William D.  Nanoscale Chemistry and Microstructure of the CrN/AlN Multilayer Films Investigated by TEM and APT  Applied Surface Science, 274, 392-396 (2013).  [DOI: 10.1016/j.apsusc.2013.03.075External link] [CMSNF]
3487.Lin, Jianliang ; and Wang, Bo  Anatase and rutile TiO2 films deposited by arc-free deep oscillation magnetron sputtering  Journal of Physics D: Applied Physics, 46, Number 8, (2013).  [DOI: 10.1088/0022-3727/46/8/084008External link] [CMSNF]
3488.Pang, Judy W.; Buyers, William J.L.; Chernatynskiy, Aleksandr; Lumsden, Mark D.; Larson, Bennett C.; and Phillpot, Simon R.  Phonon Lifetime Investigation of Anharmonicity and Thermal Conductivity of UO2 by Neutron Scattering and Theory   Physical Review Letters, 110, 157401 (2013).  [DOI: 10.1103/PhysRevLett.110.157401External link] [CMSNF]
3489.Park, In-wook ; Lin, Jianliang ; Moore , James J. ; Khafizov, Marat ; Hurley, David H. ; Manuel , Michele ; and Allen , Todd R.  Grain Growth and Mechanical Properties of Cerium Oxide Films Deposited on Si(100) Substrates by Pulsed Magnetron Sputtering (PMS)  Surface Coatings and Technology, 217 , 34 - 38 (2013).  [DOI: 10.1016/j.surfcoat.2012.11.068External link] [CMSNF]
3490.Taller, Stephen A.; and Bai, Xian-Ming  Assessment of structures and stabilities of defect clusters and surface energies predicted by nine interatomic potentials for UO2  Journal of Nuclear Materials, 443, 84-98 (2013).  [DOI: 10.1016/j.jnucmat.2013.06.038External link] [CMSNF]
3491.Valderrama, Billy ; Henderson , Hunter ; He, Lingfeng ; Yablinsky, Clarissa ; Gan , Jian ; Hassan, Abdel-Rahman; El-Azab, Anter ; Allen , Todd R. ; and Manuel, Michele  Fission Products in Nuclear Fuel: Comparison of Simulated Distribution with Correlative Characterization Techniques  Microscopy and Microanalysis, 19 (Suppl.2), 968-969 (2013).  [DOI: 10.1017/S1431927613006831External link] [CMSNF]
3492.An, J.; Park, J. S.; Koh, A. L.; Lee, H.B.; Jung, H. J.; Schoonman, J.; Sinclair, R.; Gur, T. M.; and Prinz, F. B.  Atomic Scale Verification of Oxide-Ion Vacancy Distribution near a Single Grain Boundary in YSZ  Sci. Reports, 3, 2680 (2013).  [DOI: 10.1038/srep02680External link] [CNEEC]
3493.An, J.; Kim, Young-Beom ; Park, J; Gur, T. M.; and Prinz, F. B.  Three-Dimensional Nanostructured Bilayer Solid Oxide Fuel Cell with 1.3 W/cm2 at 450C  Nano Lett, 13, 4551-4555 (2013).  [DOI: 10.1021/nl402661pExternal link] [CNEEC]
3494.An, J.; Koh, A. L.; Park, J. S.; Sinclair, R.; Gur, T. M.; and Prinz, F. B.  Aberration-Corrected TEM of Oxygen Occupancy in YSZ  J. Phys. Chem. Lett., 4(7), 1156-1160 (2013).  [DOI: 10.1021/jz4002423External link] [CNEEC]
3495.An, J.; Kim, Y. B.; and Prinz, F. B.  Ultra-Thin Platinum Catalytic Electrode Deposited by Atomic Layer Deposition  Phys. Chem. Chem. Phys., , (2013).  [DOI: 10.1039/C3CP50996FExternal link] [CNEEC]
3496.Bajdich, M.; Garcia-Mota, M.; Vojvodic, A.; Norskov, J. K.; and Bell, A. T.  Theoretical Investigation of the Activity of Cobalt Oxides for the Electrochemical Oxidation of Water  Journal of the American Chemical Society, 135, 13521−13530 (2013).  [DOI: 10.1021/ja405997sExternal link] [CNEEC]
3497.Bakke, J. R.; Hagglund, C.; Jung, H. J.; Sinclair, R.; and Bent, S. F.  Atomic layer deposition of CdO and CdxZn1-xO films  Materials Chemistry and Physics, 140, 465-471 (2013).  [DOI: 10.1016/j.matchemphys.2013.03.038External link] [CNEEC]
3498.Brennan, T. P.; Tanskanen, J. T.; Roelofs, K. E.; To, J.; Nguyen, W. H.; and Bakke, J. R.  CONDUCTION BARRIER LAYERS IN SOLID-STATE DYE-SENSITIZED SOLAR CELLS  J. Phys Chem C, 117, 24138-24149 (2013).  [DOI: 10.1021/jp406789kExternal link] [CNEEC]
3499.Brennan, T. P.; Trejo, O.; Roelofs, K. E.; Xu, J.; Prinz, F. B.; and Bent, S. F.  Efficiency Enhancement of Solid-State PbS Quantum Dot-Sensitized Solar Cells with Al2O3 Barrier Layer  J. Mater. Chem. A, 1 (26), 7566-7571 (2013).  [DOI: 10.1039/c3ta10903hExternal link] [CNEEC]
3500.Castelli, I. E.; Garcia-Lastra, J. M.; Huser, F.; Thygesen, K. S. ; Jacobsen, K. W.; and ,  Stability and Bandgaps of Layered Perovskites for One- and Two-photon Water Splitting  New Journal of Physics, 15, 105026 (2013).  [DOI: 10.1088/1367-2630/15/10/105026External link] [CNEEC]
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