Blas P. Uberuaga, Ph.D. - Publications

Affiliations: 
2000 University of Washington, Seattle, Seattle, WA 
Area:
Physical Chemistry

185 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Sandoval L, Perez D, Uberuaga BP, Voter AF. An Overview of Recent Standard and Accelerated Molecular Dynamics Simulations of Helium Behavior in Tungsten. Materials (Basel, Switzerland). 12. PMID 31394714 DOI: 10.3390/ma12162500  0.76
2019 Liu XY, Martinez E, Uberuaga BP. Dissociated vacancies and screw dislocations in MgO and UO: atomistic modeling and linear elasticity analysis. Scientific Reports. 9: 6499. PMID 31019281 DOI: 10.1038/s41598-019-42926-z  0.32
2019 Uberuaga BP, Perriot R, Pilania G. The impact of chemical order on defect transport in mixed pyrochlores. Physical Chemistry Chemical Physics : Pccp. PMID 30820501 DOI: 10.1039/c8cp07597b  0.52
2018 Martínez E, Senninger O, Caro A, Soisson F, Nastar M, Uberuaga BP. Role of Sink Density in Nonequilibrium Chemical Redistribution in Alloys. Physical Review Letters. 120: 106101. PMID 29570319 DOI: 10.1103/PhysRevLett.120.106101  0.56
2017 Perriot R, Uberuaga BP, Zamora RJ, Perez D, Voter AF. Evidence for percolation diffusion of cations and reordering in disordered pyrochlore from accelerated molecular dynamics. Nature Communications. 8: 618. PMID 28931812 DOI: 10.1038/s41467-017-00708-z  0.76
2017 Dholabhai PP, Martínez E, Brown NT, Uberuaga BP. On the mobility of carriers at semi-coherent oxide heterointerfaces. Physical Chemistry Chemical Physics : Pccp. PMID 28820196 DOI: 10.1039/c7cp04884j  0.56
2017 Perez D, Sandoval L, Blondel S, Wirth BD, Uberuaga BP, Voter AF. The mobility of small vacancy/helium complexes in tungsten and its impact on retention in fusion-relevant conditions. Scientific Reports. 7: 2522. PMID 28559588 DOI: 10.1038/s41598-017-02428-2  0.76
2017 Perriot R, Dholabhai PP, Uberuaga BP. Disorder-induced transition from grain boundary to bulk dominated ionic diffusion in pyrochlores. Nanoscale. PMID 28497819 DOI: 10.1039/c7nr01373f  0.52
2016 Perriot R, Dholabhai PP, Uberuaga BP. The role of surfaces, chemical interfaces, and disorder on plutonium incorporation in pyrochlores. Physical Chemistry Chemical Physics : Pccp. PMID 27480791 DOI: 10.1039/c6cp03543d  0.52
2016 Zamora RJ, Voter AF, Perez D, Perriot R, Uberuaga BP. The effects of cation-anion clustering on defect migration in MgAl2O4. Physical Chemistry Chemical Physics : Pccp. PMID 27380920 DOI: 10.1039/c6cp03931f  0.76
2016 Zamora RJ, Uberuaga BP, Perez D, Voter AF. The Modern Temperature-Accelerated Dynamics Approach. Annual Review of Chemical and Biomolecular Engineering. PMID 26979413 DOI: 10.1146/annurev-chembioeng-080615-033608  0.76
2016 Martínez E, Uberuaga BP, Beyerlein IJ. Interaction of small mobile stacking fault tetrahedra with free surfaces, dislocations, and interfaces in Cu and Cu-Nb Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/PhysRevB.93.054105  0.56
2016 Dholabhai PP, Perriot R, Uberuaga BP. Atomic-scale structure and stability of the low-index surfaces of pyrochlore oxides Journal of Physical Chemistry C. 120: 10485-10499. DOI: 10.1021/acs.jpcc.6b02847  0.76
2016 Hasan MM, Dey S, Nafsin N, Mardinly J, Dholabhai PP, Uberuaga BP, Castro RHR. Improving the Thermodynamic Stability of Aluminate Spinel Nanoparticles with Rare Earths Chemistry of Materials. 28: 5163-5171. DOI: 10.1021/acs.chemmater.6b02577  0.76
2016 Hasan MM, Dholabhai PP, Castro RHR, Uberuaga BP. Stabilization of MgAl2O4 spinel surfaces via doping Surface Science. 649: 138-145. DOI: 10.1016/j.susc.2016.01.028  0.76
2016 Cooper MWD, Stanek CR, Turnbull JA, Uberuaga BP, Andersson DA. Simulation of radiation driven fission gas diffusion in UO2, ThO2 and PuO2 Journal of Nuclear Materials. 481: 125-133. DOI: 10.1016/j.jnucmat.2016.09.013  0.76
2016 Martínez E, Uberuaga BP, Beyerlein IJ. Atomic-Scale Studies of Defect Interactions with Homo- and Heterophase Interfaces Jom. 1-9. DOI: 10.1007/s11837-016-1887-0  0.56
2015 Uberuaga BP, Tang M, Jiang C, Valdez JA, Smith R, Wang Y, Sickafus KE. Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores. Nature Communications. 6: 8750. PMID 26510750 DOI: 10.1038/ncomms9750  0.76
2015 Uberuaga BP, Perriot R. Insights into dynamic processes of cations in pyrochlores and other complex oxides. Physical Chemistry Chemical Physics : Pccp. 17: 24215-23. PMID 26325256 DOI: 10.1039/c5cp03372a  0.76
2015 Choudhury S, Aguiar JA, Fluss MJ, Hsiung LL, Misra A, Uberuaga BP. Non-uniform Solute Segregation at Semi-Coherent Metal/Oxide Interfaces. Scientific Reports. 5: 13086. PMID 26306812 DOI: 10.1038/srep13086  0.76
2015 Dholabhai PP, Aguiar JA, Wu L, Holesinger TG, Aoki T, Castro RH, Uberuaga BP. Structure and segregation of dopant-defect complexes at grain boundaries in nanocrystalline doped ceria. Physical Chemistry Chemical Physics : Pccp. 17: 15375-85. PMID 26000664 DOI: 10.1039/c5cp02200b  0.76
2015 Sandoval L, Perez D, Uberuaga BP, Voter AF. Competing kinetics and he bubble morphology in W. Physical Review Letters. 114: 105502. PMID 25815946 DOI: 10.1103/PhysRevLett.114.105502  0.76
2015 Uberuaga BP, Vernon LJ, Martinez E, Voter AF. The relationship between grain boundary structure, defect mobility, and grain boundary sink efficiency. Scientific Reports. 5: 9095. PMID 25766999 DOI: 10.1038/srep09095  0.76
2015 Martínez E, Uberuaga BP. Mobility and coalescence of stacking fault tetrahedra in Cu. Scientific Reports. 5: 9084. PMID 25765711 DOI: 10.1038/srep09084  0.56
2015 Dey S, Drazin JW, Wang Y, Valdez JA, Holesinger TG, Uberuaga BP, Castro RH. Radiation tolerance of nanocrystalline ceramics: insights from Yttria Stabilized Zirconia. Scientific Reports. 5: 7746. PMID 25582769 DOI: 10.1038/srep07746  0.76
2015 Goyal A, Phillpot SR, Subramanian G, Andersson DA, Stanek CR, Uberuaga BP. Impact of homogeneous strain on uranium vacancy diffusion in uranium dioxide Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/PhysRevB.91.094103  0.76
2015 Perriot R, Uberuaga BP. Correction: Structural vs. intrinsic carriers: Contrasting effects of cation chemistry and disorder on ionic conductivity in pyrochlores Journal of Materials Chemistry A. 3: 12557. DOI: 10.1039/c5ta90115d  0.76
2015 Perriot R, Uberuaga BP. Structural vs. intrinsic carriers: Contrasting effects of cation chemistry and disorder on ionic conductivity in pyrochlores Journal of Materials Chemistry A. 3: 11554-11565. DOI: 10.1039/c5ta01692d  0.76
2015 Wu L, Aguiar JA, Dholabhai PP, Holesinger T, Aoki T, Uberuaga BP, Castro RHR. Interface Energies of Nanocrystalline Doped Ceria: Effects of Manganese Segregation Journal of Physical Chemistry C. 119: 27855-27864. DOI: 10.1021/acs.jpcc.5b09255  0.76
2015 Uberuaga BP, Pilania G. Effect of Cation Ordering on Oxygen Vacancy Diffusion Pathways in Double Perovskites Chemistry of Materials. 27: 5020-5026. DOI: 10.1021/acs.chemmater.5b01474  0.76
2015 Beyerlein IJ, Demkowicz MJ, Misra A, Uberuaga BP. Defect-interface interactions Progress in Materials Science. 74: 125-210. DOI: 10.1016/j.pmatsci.2015.02.001  0.76
2015 Dorado B, Uberuaga BP, Marks NA, Stanek CR. Accelerated chemical aging of crystalline nuclear waste forms: A density functional theory study of 109 Cd x 109 Ag1-xS Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 352: 130-134. DOI: 10.1016/j.nimb.2014.12.033  0.76
2015 Andersson DA, Tonks MR, Casillas L, Vyas S, Nerikar P, Uberuaga BP, Stanek CR. Multiscale simulation of xenon diffusion and grain boundary segregation in UO2 Journal of Nuclear Materials. 462: 15-25. DOI: 10.1016/j.jnucmat.2015.03.019  0.76
2015 Guterl J, Smirnov RD, Krasheninnikov SI, Uberuaga B, Voter AF, Perez D. Modeling of hydrogen desorption from tungsten surface Journal of Nuclear Materials. 463: 263-267. DOI: 10.1016/j.jnucmat.2014.12.086  0.76
2015 Uberuaga BP, Choudhury S, Caro A. Ideal sinks are not always ideal: Radiation damage accumulation in nanocomposites Journal of Nuclear Materials. 462: 402-408. DOI: 10.1016/j.jnucmat.2014.11.073  0.76
2015 Uberuaga BP, Andersson DA. Uranium vacancy mobility at the Σ5 symmetric tilt and Σ5 twist grain boundaries in UO2 Computational Materials Science. 108: 80-87. DOI: 10.1016/j.commatsci.2015.06.017  0.76
2015 Perez D, Uberuaga BP, Voter AF. The parallel replica dynamics method - Coming of age Computational Materials Science. 100: 90-103. DOI: 10.1016/j.commatsci.2014.12.011  0.76
2015 Uberuaga BP, Sickafus KE. Interpreting oxygen vacancy migration mechanisms in oxides using the layered structure motif Computational Materials Science. 103: 216-223. DOI: 10.1016/j.commatsci.2014.10.013  0.76
2015 Sun C, Uberuaga BP, Yin L, Li J, Chen Y, Kirk MA, Li M, Maloy SA, Wang H, Yu C, Zhang X. Resilient ZnO nanowires in an irradiation environment: An in situ study Acta Materialia. 95: 156-163. DOI: 10.1016/j.actamat.2015.05.003  0.76
2015 Sun C, Kirk M, Li M, Hattar K, Wang Y, Anderoglu O, Valdez J, Uberuaga BP, Dickerson R, Maloy SA. Microstructure, chemistry and mechanical properties of Ni-based superalloy Rene N4 under irradiation at room temperature Acta Materialia. 95: 357-365. DOI: 10.1016/j.actamat.2015.04.061  0.76
2015 Xu Y, Yadav SK, Aguiar JA, Anderoglu O, Baldwin JK, Wang Y, Misra A, Luo H, Uberuaga BP, Li N. Irradiation-induced formation of a spinel phase at the FeCr/MgO interface Acta Materialia. 93: 87-94. DOI: 10.1016/j.actamat.2015.03.042  0.76
2015 Xu Y, Aguiar JA, Yadav SK, Anderoglu O, Baldwin JK, Wang YQ, Valdez JA, Misra A, Luo HM, Uberuaga BP, Li N. Solute redistribution and phase stability at FeCr/TiO2- x interfaces under ion irradiation Acta Materialia. 89: 364-373. DOI: 10.1016/j.actamat.2015.01.071  0.76
2015 Aguiar JA, Anderoglu O, Choudhury S, Baldwin JK, Wang Y, Misra A, Uberuaga BP. Nanoscale morphologies at alloyed and irradiated metal-oxide bilayers Journal of Materials Science. 50: 2726-2734. DOI: 10.1007/s10853-015-8824-4  0.76
2014 Choudhury S, Morgan D, Uberuaga BP. Massive interfacial reconstruction at misfit dislocations in metal/oxide interfaces. Scientific Reports. 4: 6533. PMID 25322758 DOI: 10.1038/srep06533  0.76
2014 Sassi M, Carter DJ, Uberuaga BP, Stanek CR, Mancera RL, Marks NA. Hydrogen bond disruption in DNA base pairs from (14)C transmutation. The Journal of Physical Chemistry. B. 118: 10430-5. PMID 25127298 DOI: 10.1021/jp508118f  0.76
2014 Gofryk K, Du S, Stanek CR, Lashley JC, Liu XY, Schulze RK, Smith JL, Safarik DJ, Byler DD, McClellan KJ, Uberuaga BP, Scott BL, Andersson DA. Anisotropic thermal conductivity in uranium dioxide. Nature Communications. 5: 4551. PMID 25080878 DOI: 10.1038/ncomms5551  0.76
2014 Martínez E, Uberuaga BP, Voter AF. Sublattice parallel replica dynamics. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 89: 063308. PMID 25019913 DOI: 10.1103/PhysRevE.89.063308  0.76
2014 Dholabhai PP, Aguiar JA, Misra A, Uberuaga BP. Defect interactions with stepped CeO₂/SrTiO₃ interfaces: implications for radiation damage evolution and fast ion conduction. The Journal of Chemical Physics. 140: 194701. PMID 24852551 DOI: 10.1063/1.4876225  0.76
2014 Sassi M, Carter DJ, Uberuaga BP, Stanek CR, Marks NA. Carbon-14 decay as a source of non-canonical bases in DNA. Biochimica Et Biophysica Acta. 1840: 526-34. PMID 24121105 DOI: 10.1016/j.bbagen.2013.10.003  0.76
2014 Aguiar JA, Zhuo M, Bi Z, Fu E, Wang Y, Dholabhai PP, Misra A, Jia Q, Uberuaga BP. Orientation-specific amorphization and intercalated recrystallization at ion-irradiated SrTiO3/MgO interfaces Journal of Materials Research. DOI: 10.1557/jmr.2014.217  0.76
2014 Perez D, Vogel T, Uberuaga BP. Diffusion and transformation kinetics of small helium clusters in bulk tungsten Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.014102  0.76
2014 Bi Z, Uberuaga BP, Vernon LJ, Aguiar JA, Fu E, Zheng S, Zhang S, Wang Y, Misra A, Jia Q. Role of the interface on radiation damage in the SrTiO3/ LaAlO3 heterostructure under Ne2+ ion irradiation Journal of Applied Physics. 115. DOI: 10.1063/1.4870052  0.76
2014 Uberuaga BP, Jiang C, Stanek CR, Sickafus KE, Scott C, Smith R. Prediction of Irradiation Spectrum Effects in Pyrochlores Jom. 66: 2578-2582. DOI: 10.1007/s11837-014-1158-x  0.76
2014 Aguiar JA, Dholabhai PP, Bi Z, Jia Q, Fu EG, Wang YQ, Aoki T, Zhu J, Misra A, Uberuaga BP. Linking Interfacial Step Structure and Chemistry with Locally Enhanced Radiation-Induced Amorphization at Oxide Heterointerfaces Advanced Materials Interfaces. 1. DOI: 10.1002/admi.201300142  0.76
2014 Sinnott SB, Uberuaga BP. Role of atomistic simulations in understanding fission product accommodation in ceramic nuclear fuel American Ceramic Society Bulletin. 93: 28-32.  0.76
2013 Uberuaga BP, Bai XM, Dholabhai PP, Moore N, Duffy DM. Point defect-grain boundary interactions in MgO: an atomistic study. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 355001. PMID 23860398 DOI: 10.1088/0953-8984/25/35/355001  0.76
2013 Marks NA, Carter DJ, Sassi M, Rohl AL, Sickafus KE, Uberuaga BP, Stanek CR. Chemical evolution via beta decay: a case study in strontium-90. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 065504. PMID 23315221 DOI: 10.1088/0953-8984/25/6/065504  0.76
2013 Mulroue J, Uberuaga BP, Duffy DM. Charge localization on the hexa-interstitial cluster in MgO. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 065502. PMID 23307696 DOI: 10.1088/0953-8984/25/6/065502  0.76
2013 Borovikov V, Tang XZ, Perez D, Bai XM, Uberuaga BP, Voter AF. Influence of point defects on grain boundary mobility in bcc tungsten. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 035402. PMID 23238084 DOI: 10.1088/0953-8984/25/3/035402  0.76
2013 Subramanian G, Perez D, Uberuaga BP, Tomé CN, Voter AF. Method to account for arbitrary strains in kinetic Monte Carlo simulations Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.144107  0.76
2013 Borovikov V, Tang XZ, Perez D, Bai XM, Uberuaga BP, Voter AF. Coupled motion of grain boundaries in bcc tungsten as a possible radiation-damage healing mechanism under fusion reactor conditions Nuclear Fusion. 53. DOI: 10.1088/0029-5515/53/6/063001  0.76
2013 Hong M, Uberuaga BP, Phillpot SR, Andersson DA, Stanek CR, Sinnott SB. The role of charge and ionic radius on fission product segregation to a model UO2 grain boundary Journal of Applied Physics. 113. DOI: 10.1063/1.4798347  0.76
2013 Bi Z, Uberuaga BP, Vernon LJ, Fu E, Wang Y, Li N, Wang H, Misra A, Jia QX. Radiation damage in heteroepitaxial BaTiO3 thin films on SrTiO3 under Ne ion irradiation Journal of Applied Physics. 113. DOI: 10.1063/1.4775495  0.76
2013 Won J, Vernon LJ, Karakuscu A, Dickerson RM, Cologna M, Raj R, Wang Y, Yoo SJ, Lee SH, Misra A, Uberuaga BP. The role of non-stoichiometric defects in radiation damage evolution of SrTiO3 Journal of Materials Chemistry A. 1: 9235-9245. DOI: 10.1039/c3ta11046j  0.76
2013 Uberuaga BP, Vernon LJ. Interstitial and vacancy mediated transport mechanisms in perovskites: A comparison of chemistry and potentials Solid State Ionics. 253: 18-26. DOI: 10.1016/j.ssi.2013.08.022  0.76
2013 Uberuaga BP, Caro A, Smith R. Editorial - The 2012 Computer Simulation of Radiation Effects in Solids (COSIRES 2012) international conference Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 303: 1-2. DOI: 10.1016/j.nimb.2013.04.056  0.76
2013 Beyerlein IJ, Caro A, Demkowicz MJ, Mara NA, Misra A, Uberuaga BP. Radiation damage tolerant nanomaterials Materials Today. 16: 443-449. DOI: 10.1016/j.mattod.2013.10.019  0.76
2013 Zhuo MJ, Yan L, Fu EG, Wang YQ, Misra A, Nastasi M, Uberuaga BP, Jia QX. Phase transformations and defect clusters in single crystal SrTiO 3 irradiated at different temperatures Journal of Nuclear Materials. 442: 143-147. DOI: 10.1016/j.jnucmat.2013.08.046  0.76
2013 Uberuaga BP, Andersson DA, Stanek CR. Defect behavior in oxides: Insights from modern atomistic simulation methods Current Opinion in Solid State and Materials Science. 17: 249-256. DOI: 10.1016/j.cossms.2013.07.003  0.76
2013 Hong M, Uberuaga BP, Andersson DA, Stanek CR, Phillpot SR, Sinnott SB. Role of electronic effects on the incorporation of Cr at a Σ5 grain boundary in UO2 Computational Materials Science. 78: 29-33. DOI: 10.1016/j.commatsci.2013.05.008  0.76
2013 Bai XM, Uberuaga BP. The influence of grain boundaries on radiation-induced point defect production in materials: A review of atomistic studies Jom. 65: 360-373. DOI: 10.1007/s11837-012-0544-5  0.76
2013 Stanek CR, Jiang C, Yadav SK, Mcclellan KJ, Uberuaga BP, Andersson DA, Nikl M. The effect of Ga-doping on the defect chemistry of RE3Al5O12 garnets Physica Status Solidi (B) Basic Research. 250: 244-248. DOI: 10.1002/pssb.201200524  0.76
2012 Li YH, Uberuaga BP, Jiang C, Choudhury S, Valdez JA, Patel MK, Won J, Wang YQ, Tang M, Safarik DJ, Byler DD, McClellan KJ, Usov IO, Hartmann T, Baldinozzi G, et al. Role of antisite disorder on preamorphization swelling in titanate pyrochlores. Physical Review Letters. 108: 195504. PMID 23003057 DOI: 10.1103/PhysRevLett.108.195504  0.76
2012 Andersson DA, Espinosa-Faller FJ, Uberuaga BP, Conradson SD. Stability and migration of large oxygen clusters in UO(2+x): density functional theory calculations. The Journal of Chemical Physics. 136: 234702. PMID 22779610 DOI: 10.1063/1.4729842  0.76
2012 Karakuscu A, Cologna M, Yarotski D, Won J, Francis JSC, Raj R, Uberuaga BP. Defect structure of flash-sintered strontium titanate Journal of the American Ceramic Society. 95: 2531-2536. DOI: 10.1111/j.1551-2916.2012.05240.x  0.76
2012 Dorado B, Andersson DA, Stanek CR, Bertolus M, Uberuaga BP, Martin G, Freyss M, Garcia P. First-principles calculations of uranium diffusion in uranium dioxide Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.035110  0.76
2012 Jiang C, Sickafus KE, Stanek CR, Rudin SP, Uberuaga BP. Cation disorder in MgX 2O 4 (X = Al, Ga, In) spinels from first principles Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.024203  0.76
2012 Bai XM, Vernon LJ, Hoagland RG, Voter AF, Nastasi M, Uberuaga BP. Role of atomic structure on grain boundary-defect interactions in Cu Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.214103  0.76
2012 Hong M, Phillpot SR, Lee CW, Nerikar P, Uberuaga BP, Stanek CR, Sinnott SB. Solubility and clustering of ruthenium fission products in uranium dioxide as determined by density functional theory Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.144110  0.76
2012 Sassi M, Uberuaga BP, Stanek CR, Marks NA. Transmutation in 90SrF 2: A density functional theory study of phase stability in ZrF 2 Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.094104  0.76
2012 Liu XY, Uberuaga BP, Demkowicz MJ, Germann TC, Misra A, Nastasi M. Mechanism for recombination of radiation-induced point defects at interphase boundaries Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.012103  0.76
2012 Hayward E, Deo C, Uberuaga BP, Tome CN. The interaction of a screw dislocation with point defects in bcc iron Philosophical Magazine. 92: 2759-2778. DOI: 10.1080/14786435.2012.674646  0.76
2012 Bai XM, Uberuaga BP. Multi-timescale investigation of radiation damage near TiO 2 rutile grain boundaries Philosophical Magazine. 92: 1469-1498. DOI: 10.1080/14786435.2011.648229  0.76
2012 Yarotski D, Fu E, Yan L, Jia Q, Wang Y, Taylor AJ, Uberuaga BP. Characterization of irradiation damage distribution near TiO 2/SrTiO 3 interfaces using coherent acoustic phonon interferometry Applied Physics Letters. 100. DOI: 10.1063/1.4729621  0.76
2012 Uberuaga BP, Choudhury S, Bai XM, Benedek NA. Grain boundary stoichiometry and interactions with defects in SrTiO 3 Scripta Materialia. 66: 105-108. DOI: 10.1016/j.scriptamat.2011.10.019  0.76
2012 Zhuo MJ, Uberuaga BP, Yan L, Fu EG, Dickerson RM, Wang YQ, Misra A, Nastasi M, Jia QX. Radiation damage at the coherent anatase TiO 2 / SrTiO 3 interface under Ne ion irradiation Journal of Nuclear Materials. 429: 177-184. DOI: 10.1016/j.jnucmat.2012.05.027  0.76
2012 Uberuaga BP, Stuart SJ, Windl W, Masquelier MP, Voter AF. Fullerene and graphene formation from carbon nanotube fragments Computational and Theoretical Chemistry. 987: 115-121. DOI: 10.1016/j.comptc.2011.11.030  0.76
2012 Liu XY, Andersson DA, Uberuaga BP. First-principles DFT modeling of nuclear fuel materials Journal of Materials Science. 47: 7367-7384. DOI: 10.1007/s10853-012-6471-6  0.76
2012 Whittle KR, Uberuaga BP, Bertolus M, Grimes RW. Materials Research Society Symposium Proceedings: Preface Materials Research Society Symposium Proceedings. 1383: ix.  0.76
2011 Uberuaga BP, Bai XM. Defects in rutile and anatase polymorphs of TiO2: kinetics and thermodynamics near grain boundaries. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 23: 435004. PMID 21960062 DOI: 10.1088/0953-8984/23/43/435004  0.76
2011 Nerikar PV, Rudman K, Desai TG, Byler D, Unal C, McClellan KJ, Phillpot SR, Sinnott SB, Peralta P, Uberuaga BP, Stanek CR. Grain boundaries in uranium dioxide: Scanning electron microscopy experiments and atomistic simulations Journal of the American Ceramic Society. 94: 1893-1900. DOI: 10.1111/j.1551-2916.2010.04295.x  0.76
2011 Nerikar PV, Parfitt DC, Casillas Trujillo LA, Andersson DA, Unal C, Sinnott SB, Grimes RW, Uberuaga BP, Stanek CR. Segregation of xenon to dislocations and grain boundaries in uranium dioxide Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.174105  0.76
2011 Demkowicz MJ, Hoagland RG, Uberuaga BP, Misra A. Influence of interface sink strength on the reduction of radiation-induced defect concentrations and fluxes in materials with large interface area per unit volume Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.104102  0.76
2011 Fasoli M, Vedda A, Nikl M, Jiang C, Uberuaga BP, Andersson DA, McClellan KJ, Stanek CR. Band-gap engineering for removing shallow traps in rare-earth Lu 3Al5O12 garnet scintillators using Ga3 + doping Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.081102  0.76
2011 Andersson DA, Uberuaga BP, Nerikar PV, Unal C, Stanek CR. U and Xe transport in UO2±x: Density functional theory calculations Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.054105  0.76
2011 Di Z, Bai XM, Wei Q, Won J, Hoagland RG, Wang Y, Misra A, Uberuaga BP, Nastasi M. Tunable helium bubble superlattice ordered by screw dislocation network Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.052101  0.76
2011 Liu XY, Uberuaga BP, Andersson DA, Stanek CR, Sickafus KE. Mechanism for transient migration of xenon in UO2 Applied Physics Letters. 98. DOI: 10.1063/1.3579198  0.76
2011 Zhuo MJ, Fu EG, Yan L, Wang YQ, Zhang YY, Dickerson RM, Uberuaga BP, Misra A, Nastasi M, Jia QX. Interface-enhanced defect absorption between epitaxial anatase TiO 2 film and single crystal SrTiO3 Scripta Materialia. 65: 807-810. DOI: 10.1016/j.scriptamat.2011.07.037  0.76
2010 Bai XM, Voter AF, Hoagland RG, Nastasi M, Uberuaga BP. Efficient annealing of radiation damage near grain boundaries via interstitial emission. Science (New York, N.Y.). 327: 1631-4. PMID 20339070 DOI: 10.1126/science.1183723  0.76
2010 Nerikar P, Stanek CR, Phillpot SR, Sinnott SB, Uberuaga BP. Intrinsic electrostatic effects in nanostructured ceramics Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.064111  0.76
2010 Jiang C, Stanek CR, Marks NA, Sickafus KE, Uberuaga BP. Radioparagenesis: The formation of novel compounds and crystalline structures via radioactive decay Philosophical Magazine Letters. 90: 435-446. DOI: 10.1080/09500831003745266  0.76
2010 Jiang C, Uberuaga BP, Sickafus KE, Nortier FM, Kitten JJ, Marks NA, Stanek CR. Using "radioparagenesis" to design robust nuclear waste forms Energy and Environmental Science. 3: 130-135. DOI: 10.1039/b915493k  0.76
2010 Uberuaga BP, Jiang C, Stanek CR, Sickafus KE, Marks NA, Carter DJ, Rohl AL. Implications of transmutation on the defect chemistry in crystalline waste forms Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 268: 3261-3264. DOI: 10.1016/j.nimb.2010.06.001  0.76
2010 Tang M, Kluth P, Zhang J, Patel MK, Uberuaga BP, Reichhardt CJO, Sickafus KE. Swift heavy ion irradiation-induced microstructure modification of two delta-phase oxides: Sc4Zr3O12 and Lu 4Zr3O12 Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 268: 3243-3247. DOI: 10.1016/j.nimb.2010.05.099  0.76
2010 Valone SM, Uberuaga BP, Liu XY, Jeon B, Chaudhry A, Grønbech-Jensen N. Cascade-driven mixing at metal oxide interfaces Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 268: 3114-3116. DOI: 10.1016/j.nimb.2010.05.066  0.76
2010 Scott C, Smith R, Uberuaga BP, Sickafus KE. Radiation effects at the HfO2-MgO interface Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 268: 3066-3070. DOI: 10.1016/j.nimb.2010.05.043  0.76
2010 Liu XY, Uberuaga BP, Nerikar P, Stanek CR, Sickafus KE. Thermodynamics of fission products in dispersion fuel designs-First- principles modeling of defect behavior in bulk and at interfaces Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 268: 3014-3017. DOI: 10.1016/j.nimb.2010.05.030  0.76
2010 Kittiratanawasin L, Smith R, Uberuaga BP, Sickafus K. Displacement threshold and Frenkel pair formation energy in ionic systems Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 268: 2901-2906. DOI: 10.1016/j.nimb.2010.04.024  0.76
2010 Tang M, Holliday KS, Jiang C, Valdez JA, Uberuaga BP, Dickerson PO, Dickerson RM, Wang Y, Czerwinski KR, Sickafus KE. Order-to-disorder phase transformation in ion irradiated uranium-bearing delta-phase oxides RE6U1O12 (RE=Y, Gd, Ho, Yb, and Lu) Journal of Solid State Chemistry. 183: 844-848. DOI: 10.1016/j.jssc.2010.01.020  0.76
2010 Tang M, Holliday KS, Valdez JA, Uberuaga BP, Dickerson PO, Dickerson RM, Wang Y, Czerwinski KR, Sickafus KE. Microstructural evolution in irradiated uranium-bearing delta-phase oxides A6U1O12 (A = Y, Gd, Ho, Yb, and Lu) Journal of Nuclear Materials. 407: 44-47. DOI: 10.1016/j.jnucmat.2010.07.007  0.76
2010 Smith K, Whittle K, Kroeker S, Uberuaga B. Materials Research Society Symposium Proceedings: Preface Materials Research Society Symposium Proceedings. 1265: xi.  0.76
2009 Liu XY, Uberuaga BP, Sickafus KE. First-principles study of fission product (Xe, Cs, Sr) incorporation and segregation in alkaline earth metal oxides, HfO(2), and the MgO-HfO(2) interface. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 045403. PMID 21715804 DOI: 10.1088/0953-8984/21/4/045403  0.76
2009 Kittiratanawasin L, Smith R, Uberuaga BP, Sickafus KE. Radiation damage and evolution of radiation-induced defects in Er(2)O(3) bixbyite. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 115403. PMID 21693918 DOI: 10.1088/0953-8984/21/11/115403  0.76
2009 Stanek CR, Jiang C, Uberuaga BP, Sickafus KE, Cleave AR, Grimes RW. Predicted structure and stability of A4 B3 O 12 δ -phase compositions Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.174101  0.76
2009 Andersson DA, Watanabe T, Deo C, Uberuaga BP. Role of di-interstitial clusters in oxygen transport in UO2+x from first principles Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.060101  0.76
2009 Jiang C, Stanek CR, Marks NA, Sickafus KE, Uberuaga BP. Predicting from first principles the chemical evolution of crystalline compounds due to radioactive decay: The case of the transformation of CsCl to BaCl Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.132110  0.76
2009 Jiang C, Stanek CR, Sickafus KE, Uberuaga BP. First-principles prediction of disordering tendencies in pyrochlore oxides Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.104203  0.76
2009 Andersson DA, Lezama J, Uberuaga BP, Deo C, Conradson SD. Cooperativity among defect sites in AO2+x and A 4O9 (A=U,Np,Pu): Density functional calculations Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.024110  0.76
2009 Desai TG, Nerikar P, Uberuaga BP. The role of grain boundary structure in stress-induced phase transformation in UO2 Modelling and Simulation in Materials Science and Engineering. 17. DOI: 10.1088/0965-0393/17/6/064001  0.76
2009 Nerikar PV, Liu XY, Uberuaga BP, Stanek CR, Phillpot SR, Sinnott SB. Thermodynamics of fission products in UO2±x Journal of Physics Condensed Matter. 21. DOI: 10.1088/0953-8984/21/43/435602  0.76
2009 Tang M, Valdez JA, Uberuaga BP, Sickafus KE. Irradiation-Induced Amorphization and Order-Disorder Transformation in the Tungsten 8-phase Oxides Yb6W1O12 and y 6W1O12 Aip Conference Proceedings. 1099: 973-976. DOI: 10.1063/1.3120205  0.76
2009 Perez D, Uberuaga BP, Shim Y, Amar JG, Voter AF. Chapter 4 Accelerated Molecular Dynamics Methods: Introduction and Recent Developments Annual Reports in Computational Chemistry. 5: 79-98. DOI: 10.1016/S1574-1400(09)00504-0  0.76
2009 Murphy ST, Uberuaga BP, Ball JB, Cleave AR, Sickafus KE, Smith R, Grimes RW. Cation diffusion in magnesium aluminate spinel Solid State Ionics. 180: 1-8. DOI: 10.1016/j.ssi.2008.10.013  0.76
2009 Desai TG, Uberuaga BP. Stress-induced phase transformation in nanocrystalline UO2 Scripta Materialia. 60: 878-881. DOI: 10.1016/j.scriptamat.2009.01.041  0.76
2009 Usov IO, Valdez JA, Won J, Hawley M, Devlin DJ, Dickerson RM, Uberuaga BP, Wang YQ, Reichhardt CJO, Jarvinen GD, Sickafus KE. Irradiation effects in an HfO2/MgO/HfO2 tri-layer structure induced by 10 MeV Au ions Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 267: 1918-1923. DOI: 10.1016/j.nimb.2009.03.101  0.76
2009 Tang M, Holliday KS, Valdez JA, Uberuaga BP, Dickerson PO, Dickerson RM, Wang Y, Czerwinski KR, Sickafus KE. Radiation damage effects in the uranium-bearing δ-phase oxide Y6U1O12 Journal of Nuclear Materials. 389: 497-499. DOI: 10.1016/j.jnucmat.2009.02.001  0.76
2009 Ichinomiya T, Uberuaga BP, Sickafus KE, Nishiura Y, Itakura M, Chen Y, Kaneta Y, Kinoshita M. Temperature accelerated dynamics study of migration process of oxygen defects in UO2 Journal of Nuclear Materials. 384: 315-321. DOI: 10.1016/j.jnucmat.2008.12.040  0.76
2009 Blair MW, Levy MR, Grimes RW, Uberuaga BP, Jiang C, Valdez JA, Williams JJ, Tang M, Stanek CR, Sickafus KE. Charge compensation in an irradiation-induced phase of δ-Sc 4Zr3O12 Journal of Materials Science. 44: 4754-4757. DOI: 10.1007/s10853-009-3722-2  0.76
2008 Shim Y, Borovikov V, Uberuaga BP, Voter AF, Amar JG. Vacancy formation and strain in low-temperature Cu/Cu(100) growth. Physical Review Letters. 101: 116101. PMID 18851301 DOI: 10.1103/PhysRevLett.101.116101  0.76
2008 Chroneos A, Bracht H, Jiang C, Uberuaga BP, Grimes RW. Nonlinear stability of E centers in Si1-x Gex: Electronic structure calculations Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/PhysRevB.78.195201  0.76
2008 Chroneos A, Grimes RW, Uberuaga BP, Bracht H. Diffusion and defect reactions between donors, C, and vacancies in Ge. II. Atomistic calculations of related complexes Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/PhysRevB.77.235208  0.76
2008 Chroneos A, Grimes RW, Bracht H, Uberuaga BP. Engineering the free vacancy and active donor concentrations in phosphorus and arsenic double donor-doped germanium Journal of Applied Physics. 104. DOI: 10.1063/1.3035847  0.76
2008 Chroneos A, Bracht H, Grimes RW, Uberuaga BP. Vacancy-mediated dopant diffusion activation enthalpies for germanium Applied Physics Letters. 92. DOI: 10.1063/1.2918842  0.76
2008 Ball JA, Murphy ST, Grimes RW, Bacorisen D, Smith R, Uberuaga BP, Sickafus KE. Defect processes in MgAl2O4 spinel Solid State Sciences. 10: 717-724. DOI: 10.1016/j.solidstatesciences.2007.04.005  0.76
2008 Stanek CR, Levy MR, McClellan KJ, Uberuaga BP, Grimes RW. Defect identification and compensation in rare earth oxide scintillators Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 266: 2657-2664. DOI: 10.1016/j.nimb.2008.03.209  0.76
2008 Kittiratanawasin L, Smith R, Uberuaga BP, Sickafus KE, Cleave AR, Grimes RW. Atomistic simulations of radiation induced defect formation in the Er2O3 sesquioxide Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 266: 2691-2697. DOI: 10.1016/j.nimb.2008.03.196  0.76
2008 Chroneos A, Bracht H, Grimes RW, Uberuaga BP. Phosphorous clustering in germanium-rich silicon germanium Materials Science and Engineering B: Solid-State Materials For Advanced Technology. 154: 72-75. DOI: 10.1016/j.mseb.2008.08.005  0.76
2008 Uberuaga BP, Valone SM. Simulations of vacancy cluster behavior in δ-Pu Journal of Nuclear Materials. 375: 144-150. DOI: 10.1016/j.jnucmat.2008.01.001  0.76
2008 Jiang C, Uberuaga BP, Srinivasan SG. Point defect thermodynamics and diffusion in Fe3C: A first-principles study Acta Materialia. 56: 3236-3244. DOI: 10.1016/j.actamat.2008.03.012  0.76
2008 Chatterjee A, Uberuaga BP, Voter AF. Temperature accelerated dynamics based kinetic Monte Carlo method Aiche Annual Meeting, Conference Proceedings 0.76
2008 Valone SM, Baskes MI, Uberuaga BP, Martin RL, Kubota A, Wolfer WG. Influence of phase stability on radiation damage properties: Plutonium-gallium alloys Materials Research Society Symposium Proceedings. 1043: 113-124.  0.76
2008 Chatterjee A, Vlachos D, Uberuaga BP, Voter AF. Multiscale modeling for energy applications Aiche Annual Meeting, Conference Proceedings 0.76
2008 Deo C, Uberuaga BP. Kinetics of excess oxygen migration in hyperstoichiometric uranium dioxide Transactions of the American Nuclear Society. 98: 1085-1086.  0.76
2007 Uberuaga BP, Hoagland RG, Voter AF, Valone SM. Direct transformation of vacancy voids to stacking fault tetrahedra. Physical Review Letters. 99: 135501. PMID 17930607 DOI: 10.1103/PhysRevLett.99.135501  0.76
2007 Sickafus KE, Grimes RW, Valdez JA, Cleave A, Tang M, Ishimaru M, Corish SM, Stanek CR, Uberuaga BP. Radiation-induced amorphization resistance and radiation tolerance in structurally related oxides. Nature Materials. 6: 217-23. PMID 17322869 DOI: 10.1038/nmat1842  0.76
2007 Shim Y, Amar JG, Uberuaga BP, Voter AF. Reaching extended length scales and time scales in atomistic simulations via spatially parallel temperature-accelerated dynamics Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/PhysRevB.76.205439  0.76
2007 Mishin Y, Suzuki A, Uberuaga BP, Voter AF. Stick-slip behavior of grain boundaries studied by accelerated molecular dynamics Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.224101  0.76
2007 Stanek CR, McClellan KJ, Uberuaga BP, Sickafus KE, Levy MR, Grimes RW. Determining the site preference of trivalent dopants in bixbyite sesquioxides by atomic-scale simulations Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.134101  0.76
2007 Uberuaga BP, Bacorisen D, Smith R, Ball JA, Grimes RW, Voter AF, Sickafus KE. Defect kinetics in spinels: Long-time simulations of Mg Al2 O4, Mg Ga2 O4, and Mg In2 O4 Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.104116  0.76
2007 Uberuaga BP, Stuart SJ, Voter AF. Parallel replica dynamics for driven systems: Derivation and application to strained nanotubes Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.014301  0.76
2007 Chroneos A, Grimes RW, Uberuaga BP, Brotzmann S, Bracht H. Vacancy-arsenic clusters in germanium Applied Physics Letters. 91. DOI: 10.1063/1.2805773  0.76
2007 Chroneos A, Uberuaga BP, Grimes RW. Carbon, dopant, and vacancy interactions in germanium Journal of Applied Physics. 102. DOI: 10.1063/1.2798875  0.76
2007 Rushton MJD, Stanek CR, Cleave AR, Uberuaga BP, Sickafus KE, Grimes RW. Simulation of defects and defect processes in fluorite and fluorite related oxides: Implications for radiation tolerance Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 255: 151-157. DOI: 10.1016/j.nimb.2006.11.018  0.76
2007 Jacobsohn LG, Bennett BL, Lee JK, Muenchausen RE, Smith JF, Uberuaga BP, Cooke DW. The central role of oxygen on H+-irradiated Lu2SiO5 luminescence Journal of Luminescence. 124: 173-177. DOI: 10.1016/j.jlumin.2006.06.005  0.76
2007 Stan M, Ramirez JC, Cristea P, Hu SY, Deo C, Uberuaga BP, Srivilliputhur S, Rudin SP, Wills JM. Models and simulations of nuclear fuel materials properties Journal of Alloys and Compounds. 444: 415-423. DOI: 10.1016/j.jallcom.2007.01.102  0.76
2007 Uberuaga BP, Valone SM, Baskes MI. Accelerated dynamics study of vacancy mobility in δ-plutonium Journal of Alloys and Compounds. 444: 314-319. DOI: 10.1016/j.jallcom.2006.10.083  0.76
2007 Uberuaga BP, Voter AF, Sickafus KE, Cleave A, Grimes RW, Smith R. Structure and mobility of radiation-induced defects in MgO Journal of Computer-Aided Materials Design. 14: 183-189. DOI: 10.1007/s10820-007-9085-6  0.76
2007 Stanek CR, Uberuaga BP, McClellan KJ, Levy MR, Grimes RW. Oxygen transport mechanisms in REAlO3 scintillators Physica Status Solidi (C) Current Topics in Solid State Physics. 4: 984-987. DOI: 10.1002/pssc.200673813  0.76
2006 Bacorisen D, Smith R, Uberuaga BP, Sickafus KE, Ball JA, Grimes RW. Atomistic simulations of radiation-induced defect formation in spinels: Mg Al2 O4, Mg Ga2 O4, and Mg In2 O4 Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/PhysRevB.74.214105  0.76
2006 Batista ER, Heyd J, Hennig RG, Uberuaga BP, Martin RL, Scuseria GE, Umrigar CJ, Wilkins JW. Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/PhysRevB.74.121102  0.76
2006 Bacorisen D, Smith R, Ball JA, Grimes RW, Uberuaga BP, Sickafus KE, Rankin WT. Molecular dynamics modelling of radiation damage in normal, partly inverse and inverse spinels Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 250: 36-45. DOI: 10.1016/j.nimb.2006.04.081  0.76
2006 Cleave AR, Grimes RW, Smith R, Uberuaga BP, Sickafus KE. Simulations of cascades in pure and alumina doped magnesia Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 250: 28-35. DOI: 10.1016/j.nimb.2006.04.080  0.76
2006 Uberuaga BP, Smith R, Cleave AR, Grimes RW, Voter AF, Sickafus KE. Accelerated molecular dynamics simulations of interstitial clusters in pure and Al-doped MgO Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 250: 12-16. DOI: 10.1016/j.nimb.2006.04.078  0.76
2005 Brown GW, Uberuaga BP, Grube H, Hawley ME, Schofield SR, Curson NJ, Simmons MY, Clark RG. Observation of substitutional and interstitial phosphorus on clean Si(100)-(2×1) with scanning tunneling microscopy Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/PhysRevB.72.195323  0.76
2005 Henkelman G, Uberuaga BP, Harris DJ, Harding JH, Allan NL. MgO addimer diffusion on MgO(100): A comparison of ab initio and empirical models Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/PhysRevB.72.115437  0.76
2005 Cogoni M, Uberuaga BP, Voter AF, Colombo L. Diffusion of small self-interstitial clusters in silicon: Temperature-accelerated tight-binding molecular dynamics simulations Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/PhysRevB.71.121203  0.76
2005 Uberuaga BP, Smith R, Cleave AR, Henkelman G, Grimes RW, Voter AF, Sickafus KE. Dynamical simulations of radiation damage and defect mobility in MgO Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/PhysRevB.71.104102  0.76
2005 Smith R, Bacorisen D, Uberuaga BP, Sickafus KE, Ball JA, Grimes RW. Dynamical simulations of radiation damage in magnesium aluminate spinel, MgAl2O4 Journal of Physics Condensed Matter. 17: 875-891. DOI: 10.1088/0953-8984/17/6/008  0.76
2005 Ball JA, Pirzada M, Grimes RW, Zacate MO, Price DW, Uberuaga BP. Predicting lattice parameter as a function of cation disorder in MgAl 2O4 spinel Journal of Physics Condensed Matter. 17: 7621-7631. DOI: 10.1088/0953-8984/17/48/014  0.76
2005 Cogoni M, Mattoni A, Uberuaga BP, Voter AF, Colombo L. Atomistic study of the dissolution of small boron interstitial clusters in c-Si Applied Physics Letters. 87: 1-3. DOI: 10.1063/1.2130385  0.76
2005 Uberuaga BP, Smith R, Cleave AR, Henkelman G, Grimes RW, Voter AF, Sickafus KE. Exploring long-time response to radiation damage in MgO Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 228: 260-273. DOI: 10.1016/j.nimb.2004.10.055  0.76
2005 Stanek CR, Levy MR, McClellan KJ, Uberuaga BP, Grimes RW. Defect structure of ZrO2-doped rare earth perovskite scintillators Physica Status Solidi (B) Basic Research. 242: R113-R115. DOI: 10.1002/pssb.200541254  0.76
2005 Uberuaga BP. Spanning time and length scales in simulations of radiation damage Materials Research Society Symposium Proceedings. 882: 74-85.  0.76
2004 Kum O, Dickson BM, Stuart SJ, Uberuaga BP, Voter AF. Parallel replica dynamics with a heterogeneous distribution of barriers: application to n-hexadecane pyrolysis. The Journal of Chemical Physics. 121: 9808-19. PMID 15549854 DOI: 10.1063/1.1807823  0.76
2004 Uberuaga BP, Anghel M, Voter AF. Synchronization of trajectories in canonical molecular-dynamics simulations: observation, explanation, and exploitation. The Journal of Chemical Physics. 120: 6363-74. PMID 15267525 DOI: 10.1063/1.1667473  0.76
2004 Uberuaga BP, Smith R, Cleave AR, Montalenti F, Henkelman G, Grimes RW, Voter AF, Sickafus KE. Structure and mobility of defects formed from collision cascades in MgO. Physical Review Letters. 92: 115505. PMID 15089149 DOI: 10.1103/PhysRevLett.92.115505  0.76
2004 Stuart SJ, Kum O, Dickson BM, Uberuaga BP, Voter AF. Classical dynamics approach to modeling hydrocarbon pyrolysis Acs National Meeting Book of Abstracts. 227.  0.76
2003 Uberuaga BP, Voter AF, Sieber KK, Sholl DS. Mechanisms and rates of interstitial H2 diffusion in crystalline C60. Physical Review Letters. 91: 105901. PMID 14525492  0.76
2002 Uberuaga BP, Henkelman G, Jónsson H, Dunham ST, Windl W, Stumpf R. Theoretical studies of self-diffusion and dopant clustering in semiconductors Physica Status Solidi (B) Basic Research. 233: 24-30. DOI: 10.1002/1521-3951(200209)233:1<24::AID-PSSB24>3.0.CO;2-5  0.76
2002 Uberuaga BP, Stuart SJ, Voter AF. Accelerated dynamics simulations of nanotubes 2002 International Conference On Computational Nanoscience and Nanotechnology - Iccn 2002. 149-151.  0.76
2002 Sprague JA, Montalenti F, Uberuaga BP, Kress JD, Voter AF. Simulation of growth of Cu on Ag(001) at experimental deposition rates Physical Review B - Condensed Matter and Materials Physics. 66: 2054151-20541510.  0.76
2001 Uberuaga BP, Henkelman G, Jónsson H, Dunham ST, Windl W, Stumpf R. Theoretical investigations of diffusion and clustering in semiconductors 2001 International Conference On Computational Nanoscience - Iccn 2001. 104-107.  0.76
2000 Uberuaga BP, Leskovar M, Smith AP, Jonsson H, Olmstead M. Diffusion of Ge below the Si(100) surface: theory and experiment Physical Review Letters. 84: 2441-4. PMID 11018905 DOI: 10.1103/PhysRevLett.84.2441  0.76
2000 Henkelman G, Uberuaga BP, Jónsson H. Climbing image nudged elastic band method for finding saddle points and minimum energy paths Journal of Chemical Physics. 113: 9901-9904. DOI: 10.1063/1.1329672  0.76
1999 Uberuaga BP, Batista ER, Jónsson H. Elastic sheet method for identifying atoms in molecules Journal of Chemical Physics. 111: 10664-10669.  0.76
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