フォロー
Blas Pedro Uberuaga
Blas Pedro Uberuaga
Los Alamos National Laboratory
確認したメール アドレス: buber.net
タイトル
引用先
引用先
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
197832000
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
11422010
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
6142007
Defect-interface interactions
IJ Beyerlein, MJ Demkowicz, A Misra, BP Uberuaga
Progress in Materials Science 74, 125-210, 2015
5682015
Radiation damage tolerant nanomaterials
IJ Beyerlein, A Caro, MJ Demkowicz, NA Mara, A Misra, BP Uberuaga
Materials today 16 (11), 443-449, 2013
5622013
Machine learning bandgaps of double perovskites
G Pilania, A Mannodi-Kanakkithodi, BP Uberuaga, R Ramprasad, ...
Scientific reports 6 (1), 19375, 2016
4862016
Band-gap engineering for removing shallow traps in rare-earth LuAlO garnet scintillators using Ga doping
M Fasoli, A Vedda, M Nikl, C Jiang, BP Uberuaga, DA Andersson, ...
Physical Review B—Condensed Matter and Materials Physics 84 (8), 081102, 2011
3652011
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
2772004
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), 9095, 2015
2032015
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
2002009
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
1952012
Cooperativity among defect sites in and : Density functional calculations
DA Andersson, J Lezama, BP Uberuaga, C Deo, SD Conradson
Physical Review B—Condensed Matter and Materials Physics 79 (2), 024110, 2009
1942009
Direct transformation of vacancy voids to stacking fault tetrahedra
BP Uberuaga, RG Hoagland, AF Voter, SM Valone
Physical review letters 99 (13), 135501, 2007
1862007
U and Xe transport in UO: Density functional theory calculations
DA Andersson, BP Uberuaga, PV Nerikar, C Unal, CR Stanek
Physical Review B—Condensed Matter and Materials Physics 84 (5), 054105, 2011
1842011
First-principles prediction of disordering tendencies in pyrochlore oxides
C Jiang, CR Stanek, KE Sickafus, BP Uberuaga
Physical Review B—Condensed Matter and Materials Physics 79 (10), 104203, 2009
1732009
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—Condensed Matter and Materials Physics 74 (12), 121102, 2006
1682006
Vacancy-mediated dopant diffusion activation enthalpies for germanium
A Chroneos, H Bracht, RW Grimes, BP Uberuaga
Applied Physics Letters 92 (17), 2008
1652008
Stick-slip behavior of grain boundaries studied by accelerated molecular dynamics
Y Mishin, A Suzuki, BP Uberuaga, AF Voter
Physical Review B—Condensed Matter and Materials Physics 75 (22), 224101, 2007
1452007
Role of atomic structure on grain boundary-defect interactions in Cu
XM Bai, LJ Vernon, RG Hoagland, AF Voter, M Nastasi, BP Uberuaga
Physical Review B—Condensed Matter and Materials Physics 85 (21), 214103, 2012
1382012
Atomistic modeling of intrinsic and radiation-enhanced fission gas (Xe) diffusion in UO2±x: Implications for nuclear fuel performance modeling
DA Andersson, P Garcia, XY Liu, G Pastore, M Tonks, P Millett, B Dorado, ...
Journal of Nuclear Materials 451 (1-3), 225-242, 2014
1332014
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