| Year |
Citation |
Score |
| 2020 |
Liu XY, Pilania G, Talapatra AA, Stanek CR, Uberuaga BP. Band-Edge Engineering To Eliminate Radiation-Induced Defect States in Perovskite Scintillators. Acs Applied Materials & Interfaces. PMID 32938183 DOI: 10.1021/Acsami.0C13236 |
0.313 |
|
| 2020 |
Agarwal S, Liedke MO, Jones ACL, Reed E, Kohnert AA, Uberuaga BP, Wang YQ, Cooper J, Kaoumi D, Li N, Auguste R, Hosemann P, Capolungo L, Edwards DJ, Butterling M, et al. A new mechanism for void-cascade interaction from nondestructive depth-resolved atomic-scale measurements of ion irradiation-induced defects in Fe. Science Advances. 6: eaba8437. PMID 32832684 DOI: 10.1126/Sciadv.Aba8437 |
0.371 |
|
| 2020 |
Uberuaga BP, Perriot R. Spatially-varying inversion near grain boundaries in MgAl2O4 spinel Rsc Advances. 10: 11737-11742. DOI: 10.1039/D0Ra00700E |
0.306 |
|
| 2020 |
Hernandez SC, Freibert FJ, Uberuaga BP, Wills JM. Role of electronic and magnetic interactions in defect formation and anomalous diffusion in δ-Pu Journal of Nuclear Materials. 532: 152027. DOI: 10.1016/J.Jnucmat.2020.152027 |
0.368 |
|
| 2020 |
Janish MT, Schneider MM, Valdez JA, McClellan KJ, Byler DD, Wang Y, Chen D, Holesinger TG, Uberuaga BP. In-situ re-crystallization of heavily-irradiated Gd2Ti2O7 Acta Materialia. 194: 403-411. DOI: 10.1016/J.Actamat.2020.04.026 |
0.343 |
|
| 2020 |
Auguste R, Liedke MO, Selim FA, Uberuaga BP, Wagner A, Hosemann P. Measurement and Simulation of Vacancy Formation in 2-MeV Self-irradiated Pure Fe Jom. 72: 2436-2444. DOI: 10.1007/S11837-020-04116-5 |
0.36 |
|
| 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 |
0.611 |
|
| 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 |
0.332 |
|
| 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 |
0.341 |
|
| 2019 |
Goyal A, Mathew K, Hennig RG, Chernatynskiy A, Stanek CR, Murphy ST, Andersson DA, Phillpot SR, Uberuaga BP. The Conundrum of Relaxation Volumes in First-Principles Calculations of Charged Defects in UO2 Applied Sciences. 9: 5276. DOI: 10.3390/App9245276 |
0.337 |
|
| 2019 |
Samin AJ, Andersson DA, Holby EF, Uberuaga BP. First-principles localized cluster expansion study of the kinetics of hydrogen diffusion in homogeneous and heterogeneous Fe-Cr alloys Physical Review B. 99. DOI: 10.1103/Physrevb.99.014110 |
0.306 |
|
| 2019 |
Perriot R, Matthews C, Cooper MW, Uberuaga BP, Stanek CR, Andersson DA. Atomistic modeling of out-of-pile xenon diffusion by vacancy clusters in UO2 Journal of Nuclear Materials. 520: 96-109. DOI: 10.1016/J.Jnucmat.2019.03.050 |
0.367 |
|
| 2019 |
Chapman J, Batra R, Uberuaga B, Pilania G, Ramprasad R. A comprehensive computational study of adatom diffusion on the aluminum (1 0 0) surface Computational Materials Science. 158: 353-358. DOI: 10.1016/J.Commatsci.2018.11.032 |
0.352 |
|
| 2019 |
El-Atwani O, Esquivel E, Aydogan E, Martinez E, Baldwin J, Li M, Uberuaga B, Maloy S. Unprecedented irradiation resistance of nanocrystalline tungsten with equiaxed nanocrystalline grains to dislocation loop accumulation Acta Materialia. 165: 118-128. DOI: 10.1016/J.Actamat.2018.11.024 |
0.352 |
|
| 2019 |
Holesinger TG, Valdez JA, Janish MT, Wang Y, Uberuaga BP. Potential benefit of amorphization in the retention of gaseous species in irradiated pyrochlores Acta Materialia. 164: 250-260. DOI: 10.1016/J.Actamat.2018.10.049 |
0.328 |
|
| 2019 |
El-Atwani O, Cunningham W, Esquivel E, Li M, Trelewicz J, Uberuaga B, Maloy S. In-situ irradiation tolerance investigation of high strength ultrafine tungsten-titanium carbide alloy Acta Materialia. 164: 547-559. DOI: 10.1016/J.Actamat.2018.10.038 |
0.375 |
|
| 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 |
0.379 |
|
| 2018 |
Debelle A, Crocombette J, Boulle A, Martinez E, Uberuaga BP, Bachiller-Perea D, Haddad Y, Garrido F, Thomé L, Behar M. How relative defect migration energies drive contrasting temperature-dependent microstructural evolution in irradiated ceramics Physical Review Materials. 2: 83605. DOI: 10.1103/Physrevmaterials.2.083605 |
0.34 |
|
| 2018 |
Liu X, Uberuaga BP, Perez D, Voter AF. New helium bubble growth mode at a symmetric grain-boundary in tungsten: accelerated molecular dynamics study Materials Research Letters. 6: 522-530. DOI: 10.1080/21663831.2018.1494637 |
0.598 |
|
| 2018 |
Setyawan W, Cooper MWD, Roche KJ, Kurtz RJ, Uberuaga BP, Andersson DA, Wirth BD. Atomistic model of xenon gas bubble re-solution rate due to thermal spike in uranium oxide Journal of Applied Physics. 124: 075107. DOI: 10.1063/1.5042770 |
0.302 |
|
| 2018 |
Kolluri K, Martinez Saez E, Uberuaga BP. Structure and Mobility of Dissociated Vacancies at Twist Grain Boundaries and Screw Dislocations in Ionic Rocksalt Compounds Chemistry of Materials. 30: 1980-1988. DOI: 10.1021/Acs.Chemmater.7B05172 |
0.348 |
|
| 2018 |
Samin AJ, Andersson DA, Holby EF, Uberuaga BP. On the role of electro-migration in the evolution of radiation damage in nanostructured ionic materials Electrochemistry Communications. 96: 47-52. DOI: 10.1016/J.Elecom.2018.09.010 |
0.386 |
|
| 2018 |
Uberuaga BP, Martínez E, Perez D, Voter AF. Discovering mechanisms relevant for radiation damage evolution Computational Materials Science. 147: 282-292. DOI: 10.1016/J.Commatsci.2018.01.052 |
0.635 |
|
| 2018 |
Sandoval L, Perez D, Uberuaga BP, Voter AF. Formation of helium-bubble networks in tungsten Acta Materialia. 159: 46-50. DOI: 10.1016/J.Actamat.2018.07.075 |
0.62 |
|
| 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 |
0.601 |
|
| 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 |
0.36 |
|
| 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 |
0.617 |
|
| 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 |
0.349 |
|
| 2017 |
Sandoval L, Perez D, Uberuaga BP, Voter AF. Growth Rate Effects on the Formation of Dislocation Loops Around Deep Helium Bubbles in Tungsten Fusion Science and Technology. 71: 1-6. DOI: 10.13182/Fst16-116 |
0.592 |
|
| 2017 |
Martínez E, Uberuaga BP, Wirth BD. Atomistic modeling of helium segregation to grain boundaries in tungsten and its effect on de-cohesion Nuclear Fusion. 57: 086044. DOI: 10.1088/1741-4326/Aa6E15 |
0.344 |
|
| 2017 |
Wu L, Dholabhai PP, Uberuaga BP, Castro RHR. Temperature Dependence Discontinuity in the Stability of Manganese-Doped Ceria Nanocrystals Crystal Growth & Design. 17: 446-453. DOI: 10.1021/Acs.Cgd.6B01193 |
0.331 |
|
| 2017 |
Hasan MM, Dholabhai PP, Dey S, Uberuaga BP, Castro RH. Reduced grain boundary energies in rare-earth doped MgAl2O4 spinel and consequent grain growth inhibition Journal of the European Ceramic Society. 37: 4043-4050. DOI: 10.1016/J.Jeurceramsoc.2017.04.073 |
0.337 |
|
| 2017 |
Shutthanandan V, Choudhury S, Manandhar S, Kaspar TC, Wang C, Devaraj A, Wirth BD, Thevuthasan S, Hoagland RG, Dholabhai PP, Uberuaga BP, Kurtz RJ. Radiation Tolerant Interfaces: Influence of Local Stoichiometry at the Misfit Dislocation on Radiation Damage Resistance of Metal/Oxide Interfaces Advanced Materials Interfaces. 4: 1700037. DOI: 10.1002/Admi.201700037 |
0.327 |
|
| 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 |
0.315 |
|
| 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 |
0.636 |
|
| 2016 |
Dey S, Mardinly J, Wang Y, Valdez JA, Holesinger TG, Uberuaga BP, Ditto JJ, Drazin JW, Castro RH. Irradiation-induced grain growth and defect evolution in nanocrystalline zirconia with doped grain boundaries. Physical Chemistry Chemical Physics : Pccp. PMID 27282392 DOI: 10.1039/C6Cp01763K |
0.343 |
|
| 2016 |
Jiang C, Uberuaga BP. Efficient Ab initio Modeling of Random Multicomponent Alloys. Physical Review Letters. 116: 105501. PMID 27015491 DOI: 10.1103/Physrevlett.116.105501 |
0.3 |
|
| 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 |
0.599 |
|
| 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 |
0.334 |
|
| 2016 |
Perez D, Sandoval L, Uberuaga BP, Voter AF. The thermodynamic and kinetic interactions of He interstitial clusters with bubbles in W Journal of Applied Physics. 119: 203301. DOI: 10.1063/1.4951706 |
0.621 |
|
| 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 |
0.304 |
|
| 2016 |
Tang M, Valdez JA, Wang Y, Zhang J, Uberuaga BP, Sickafus KE. Ion irradiation-induced crystal structure changes in inverse spinel MgIn2O4 Scripta Materialia. 125: 10-14. DOI: 10.1016/J.Scriptamat.2016.07.009 |
0.3 |
|
| 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 |
0.345 |
|
| 2016 |
Martínez E, Soisson F, Caro A, Uberuaga BP. Atomistic modeling of the reordering process of γ′ disordered particles in Ni-Al alloys Journal of Nuclear Materials. 478: 207-214. DOI: 10.1016/J.Jnucmat.2016.06.019 |
0.307 |
|
| 2016 |
Behera RK, Watanabe T, Andersson DA, Uberuaga BP, Deo CS. Diffusion of oxygen interstitials in UO2+x using kinetic Monte Carlo simulations: Role of O/M ratio and sensitivity analysis Journal of Nuclear Materials. 472: 89-98. DOI: 10.1016/J.Jnucmat.2016.02.003 |
0.366 |
|
| 2016 |
Wen J, Sun C, Dholabhai P, Xia Y, Tang M, Chen D, Yang D, Li Y, Uberuaga B, Wang Y. Temperature dependence of the radiation tolerance of nanocrystalline pyrochlores A2Ti2O7 (A = Gd, Ho and Lu) Acta Materialia. 110: 175-184. DOI: 10.1016/J.Actamat.2016.03.025 |
0.375 |
|
| 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 |
0.389 |
|
| 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 |
0.321 |
|
| 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 |
0.347 |
|
| 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 |
0.397 |
|
| 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 |
0.59 |
|
| 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 |
0.64 |
|
| 2015 |
Martínez E, Uberuaga BP. Mobility and coalescence of stacking fault tetrahedra in Cu. Scientific Reports. 5: 9084. PMID 25765711 DOI: 10.1038/Srep09084 |
0.36 |
|
| 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 |
0.396 |
|
| 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 |
0.315 |
|
| 2015 |
Sun C, Martínez E, Aguiar J, Caro A, Valdez J, Baldwin K, Xu Y, Uberuaga B, Anderoglu O, Maloy S. Thermally Induced Interdiffusion and Precipitation in a Ni/Ni3Al System Materials Research Letters. 3: 169-176. DOI: 10.1080/21663831.2015.1045630 |
0.303 |
|
| 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 |
0.347 |
|
| 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 |
0.318 |
|
| 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 |
0.328 |
|
| 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 |
0.341 |
|
| 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 |
0.374 |
|
| 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 |
0.6 |
|
| 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 |
0.316 |
|
| 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 |
0.338 |
|
| 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 |
0.61 |
|
| 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 |
0.323 |
|
| 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 |
0.354 |
|
| 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 |
0.345 |
|
| 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 |
0.356 |
|
| 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 |
0.341 |
|
| 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 |
0.326 |
|
| 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 |
0.339 |
|
| 2014 |
Dholabhai PP, Pilania G, Aguiar JA, Misra A, Uberuaga BP. Termination chemistry-driven dislocation structure at SrTiO3/MgO heterointerfaces. Nature Communications. 5: 5043. PMID 25247885 DOI: 10.1038/Ncomms6043 |
0.333 |
|
| 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 |
0.571 |
|
| 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 |
0.386 |
|
| 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 |
0.39 |
|
| 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 |
0.32 |
|
| 2014 |
Andersson DA, Garcia P, Liu XY, Pastore G, Tonks M, Millett P, Dorado B, Gaston DR, Andrs D, Williamson RL, Martineau RC, Uberuaga BP, Stanek CR. Atomistic modeling of intrinsic and radiation-enhanced fission gas (Xe) diffusion in UO 2 ± x: Implications for nuclear fuel performance modeling Journal of Nuclear Materials. 451: 225-242. DOI: 10.1016/J.Jnucmat.2014.03.041 |
0.36 |
|
| 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 |
0.368 |
|
| 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 |
0.36 |
|
| 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 |
0.337 |
|
| 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 |
0.303 |
|
| 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 |
0.334 |
|
| 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 |
0.622 |
|
| 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 |
0.592 |
|
| 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 |
0.589 |
|
| 2013 |
Uberuaga BP, Martinez E, Bi Z, Zhuo M, Jia Q, Nastasi M, Misra A, Caro A. Defect Distributions and Transport in Nanocomposites: A Theoretical Perspective Materials Research Letters. 1: 193-199. DOI: 10.1080/21663831.2013.805442 |
0.339 |
|
| 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 |
0.323 |
|
| 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 |
0.352 |
|
| 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 |
0.309 |
|
| 2013 |
Aguiar J, Chi M, Kotula P, Bi Z, Anderoglu O, Baldwin J, Valdez J, Misra A, Uberuaga B. Examining Atomistic Defect-Boundary Interactions Induced by Ion Irradiation using Aberration Corrected Transmission Electron Microscopy Microscopy and Microanalysis. 19: 1982-1983. DOI: 10.1017/S1431927613011902 |
0.308 |
|
| 2013 |
Hong M, Wohlwend JL, Behera RK, Phillpot SR, Sinnott SB, Uberuaga BP. Surface diffusion on SrTiO3 (100): A temperature accelerated dynamics and first principles study Surface Science. 617: 237-241. DOI: 10.1016/J.Susc.2013.08.002 |
0.339 |
|
| 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 |
0.391 |
|
| 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 |
0.368 |
|
| 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 |
0.335 |
|
| 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 |
0.337 |
|
| 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 |
0.314 |
|
| 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 |
0.387 |
|
| 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 |
0.319 |
|
| 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 |
0.379 |
|
| 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 |
0.376 |
|
| 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 |
0.326 |
|
| 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 |
0.338 |
|
| 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 |
0.601 |
|
| 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 |
0.323 |
|
| 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 |
0.332 |
|
| 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 |
0.412 |
|
| 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 |
0.33 |
|
| 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 |
0.339 |
|
| 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 |
0.673 |
|
| 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 |
0.398 |
|
| 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 |
0.323 |
|
| 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 |
0.35 |
|
| 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 |
0.334 |
|
| 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 |
0.366 |
|
| 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 |
0.312 |
|
| 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 |
0.626 |
|
| 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 |
0.315 |
|
| 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 |
0.32 |
|
| 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 |
0.382 |
|
| 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 |
0.376 |
|
| 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 |
0.311 |
|
| 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 |
0.378 |
|
| 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 |
0.306 |
|
| 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 |
0.335 |
|
| 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 |
0.338 |
|
| 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 |
0.608 |
|
| 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 |
0.345 |
|
| 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 |
0.31 |
|
| 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 |
0.316 |
|
| 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 |
0.34 |
|
| 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 |
0.4 |
|
| 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 |
0.349 |
|
| 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 |
0.584 |
|
| 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 |
0.333 |
|
| 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 |
0.31 |
|
| 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 |
0.332 |
|
| 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 |
0.33 |
|
| 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 |
0.352 |
|
| 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 |
0.369 |
|
| 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 |
0.405 |
|
| 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 |
0.343 |
|
| 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 |
0.365 |
|
| 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 |
0.35 |
|
| 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 |
0.621 |
|
| 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 |
0.595 |
|
| 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 |
0.598 |
|
| 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 |
0.594 |
|
| 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 |
0.599 |
|
| 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 |
0.35 |
|
| 2007 |
Chroneos A, Uberuaga BP, Grimes RW. Carbon, dopant, and vacancy interactions in germanium Journal of Applied Physics. 102. DOI: 10.1063/1.2798875 |
0.325 |
|
| 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 |
0.362 |
|
| 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 |
0.303 |
|
| 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 |
0.327 |
|
| 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 |
0.366 |
|
| 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 |
0.649 |
|
| 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 |
0.355 |
|
| 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 |
0.328 |
|
| 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 |
0.57 |
|
| 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 |
0.409 |
|
| 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 |
0.376 |
|
| 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 |
0.614 |
|
| 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 |
0.317 |
|
| 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 |
0.543 |
|
| 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 |
0.633 |
|
| 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 |
0.731 |
|
| 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 |
0.362 |
|
| 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 |
0.608 |
|
| 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 |
0.706 |
|
| 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.200740113 |
0.353 |
|
| 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 |
0.61 |
|
| 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 |
0.598 |
|
| 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 |
0.721 |
|
| 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 DOI: 10.1103/Physrevlett.91.105901 |
0.593 |
|
| 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. DOI: 10.1103/Physrevb.66.205415 |
0.592 |
|
| 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 |
0.73 |
|
| 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. |
0.467 |
|
| 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 |
0.525 |
|
| 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 |
0.598 |
|
| 1999 |
Uberuaga BP, Batista ER, Jónsson H. Elastic sheet method for identifying atoms in molecules The Journal of Chemical Physics. 111: 10664-10669. DOI: 10.1063/1.480420 |
0.644 |
|
| 1999 |
Uberuaga BP, Batista ER, Jónsson H. Elastic sheet method for identifying atoms in molecules Journal of Chemical Physics. 111: 10664-10669. |
0.476 |
|
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