Blas Pedro Uberuaga
Blas Pedro Uberuaga
Los Alamos National Laboratory
Подтвержден адрес электронной почты в домене
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman, BP Uberuaga, H Jónsson
The Journal of chemical physics 113 (22), 9901-9904, 2000
Efficient annealing of radiation damage near grain boundaries via interstitial emission
XM Bai, AF Voter, RG Hoagland, M Nastasi, BP Uberuaga
Science 327 (5973), 1631-1634, 2010
Radiation-induced amorphization resistance and radiation tolerance in structurally related oxides
KE Sickafus, RW Grimes, JA Valdez, A Cleave, M Tang, M Ishimaru, ...
Nature materials 6 (3), 217-223, 2007
Radiation damage tolerant nanomaterials
IJ Beyerlein, A Caro, MJ Demkowicz, NA Mara, A Misra, BP Uberuaga
Materials today 16 (11), 443-449, 2013
Defect-interface interactions
IJ Beyerlein, MJ Demkowicz, A Misra, BP Uberuaga
Progress in Materials Science 74, 125-210, 2015
Band-gap engineering for removing shallow traps in rare-earth Lu 3 Al 5 O 12 garnet scintillators using Ga 3+ doping
M Fasoli, A Vedda, M Nikl, C Jiang, BP Uberuaga, DA Andersson, ...
Physical Review B 84 (8), 081102, 2011
Machine learning bandgaps of double perovskites
G Pilania, A Mannodi-Kanakkithodi, BP Uberuaga, R Ramprasad, ...
Scientific reports 6 (1), 1-10, 2016
Synchronization of trajectories in canonical molecular-dynamics simulations: Observation, explanation, and exploitation
BP Uberuaga, M Anghel, AF Voter
The Journal of chemical physics 120 (14), 6363-6374, 2004
Accelerated molecular dynamics methods: introduction and recent developments
D Perez, BP Uberuaga, Y Shim, JG Amar, AF Voter
Annual Reports in computational chemistry 5, 79-98, 2009
Cooperativity among defect sites in A O 2+ x and A 4 O 9 (A= U, Np, Pu): Density functional calculations
DA Andersson, J Lezama, BP Uberuaga, C Deo, SD Conradson
Physical Review B 79 (2), 024110, 2009
Vacancy-mediated dopant diffusion activation enthalpies for germanium
A Chroneos, H Bracht, RW Grimes, BP Uberuaga
Applied Physics Letters 92 (17), 172103, 2008
Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects
ER Batista, J Heyd, RG Hennig, BP Uberuaga, RL Martin, GE Scuseria, ...
Physical Review B 74 (12), 121102, 2006
Defect structure of flash‐sintered strontium titanate
A Karakuscu, M Cologna, D Yarotski, J Won, JSC Francis, R Raj, ...
Journal of the American Ceramic Society 95 (8), 2531-2536, 2012
U and Xe transport in UO: Density functional theory calculations
DA Andersson, BP Uberuaga, PV Nerikar, C Unal, CR Stanek
Physical review B 84 (5), 054105, 2011
First-principles prediction of disordering tendencies in pyrochlore oxides
C Jiang, CR Stanek, KE Sickafus, BP Uberuaga
Physical Review B 79 (10), 104203, 2009
Direct transformation of vacancy voids to stacking fault tetrahedra
BP Uberuaga, RG Hoagland, AF Voter, SM Valone
Physical review letters 99 (13), 135501, 2007
Stick-slip behavior of grain boundaries studied by accelerated molecular dynamics
Y Mishin, A Suzuki, BP Uberuaga, AF Voter
Physical Review B 75 (22), 224101, 2007
Structure and mobility of defects formed from collision cascades in MgO
BP Uberuaga, R Smith, AR Cleave, F Montalenti, G Henkelman, ...
Physical review letters 92 (11), 115505, 2004
The relationship between grain boundary structure, defect mobility and grain boundary sink efficiency
BP Uberuaga, LJ Vernon, E Martinez, AF Voter
Scientific reports 5 (1), 1-9, 2015
Diffusion of Ge below the Si (100) surface: Theory and experiment
BP Uberuaga, M Leskovar, AP Smith, H Jónsson, M Olmstead
Physical review letters 84 (11), 2441, 2000
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Статьи 1–20