Brian Puchala
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Thermodynamics of the Zr-O system from first-principles calculations
B Puchala, A Van der Ven
Physical Review B 88 (9), 094108, 2013
1732013
Collecting and analyzing microstructures in three dimensions: a fully automated approach
JE Spowart, HE Mullens, BT Puchala
JOM 55 (10), 35-37, 2003
1602003
On the early stages of precipitation in dilute Mg–Nd alloys
AR Natarajan, ELS Solomon, B Puchala, EA Marquis, A Van der Ven
Acta Materialia 108, 367-379, 2016
872016
An energy basin finding algorithm for kinetic Monte Carlo acceleration
B Puchala, ML Falk, K Garikipati
The Journal of chemical physics 132 (13), 134104, 2010
852010
Stable p-type conduction from sb-decorated head-to-head basal plane inversion domain boundaries in ZnO nanowires
AB Yankovich, B Puchala, F Wang, JH Seo, D Morgan, X Wang, Z Ma, ...
Nano letters 12 (3), 1311-1316, 2012
652012
First-Principles Statistical Mechanics of Multicomponent Crystals
A Van der Ven, JC Thomas, B Puchala, AR Natarajan
Annual Review of Materials Research, 2018
512018
Ab initio study of the strain dependent thermodynamics of Bi doping in GaAs
H Jacobsen, B Puchala, TF Kuech, D Morgan
Physical Review B 86 (8), 085207, 2012
482012
The Materials Commons: a collaboration platform and information repository for the global materials community
B Puchala, G Tarcea, EA Marquis, M Hedstrom, HV Jagadish, JE Allison
JOM 68 (8), 2035-2044, 2016
422016
Stable interstitial dopant–vacancy complexes in ZnO
B Puchala, D Morgan
Physical Review B 85 (19), 195207, 2012
332012
The continuum elastic and atomistic viewpoints on the formation volume and strain energy of a point defect
K Garikipati, M Falk, M Bouville, B Puchala, H Narayanan
Journal of the Mechanics and Physics of Solids 54 (9), 1929-1951, 2006
322006
Atomistic modeling of As diffusion in ZnO
B Puchala, D Morgan
Physical Review B 85 (6), 064106, 2012
282012
Symmetry-adapted order parameters and free energies for solids undergoing order-disorder phase transitions
AR Natarajan, JC Thomas, B Puchala, A Van der Ven
Physical Review B 96 (13), 134204, 2017
232017
Misfit-driven β′′′ precipitate composition and morphology in Mg-Nd alloys
S DeWitt, ELS Solomon, AR Natarajan, V Araullo-Peters, S Rudraraju, ...
Acta Materialia 136, 378-389, 2017
212017
PRISMS: An Integrated, Open-Source Framework for Accelerating Predictive Structural Materials Science
LK Aagesen, JF Adams, JE Allison, WB Andrews, V Araullo-Peters, ...
JOM 70 (10), 2298-2314, 2018
202018
Counterintuitive Reconstruction of the Polar O-Terminated ZnO Surface With Zinc Vacancies and Hydrogen
R Jacobs, B Zheng, B Puchala, PM Voyles, AB Yankovich, D Morgan
The Journal of Physical Chemistry Letters 7 (22), 4483-4487, 2016
202016
Elastic effects on relaxation volume tensor calculations
B Puchala, ML Falk, K Garikipati
Physical Review B 77 (17), 174116, 2008
182008
High-temperature stability of δ′-ZrO
MH Chen, B Puchala, A Van der Ven
Calphad 51, 292-298, 2015
162015
Ti-and Zr-based metal-air batteries
A Van der Ven, B Puchala, T Nagase
Journal of Power Sources 242, 400-404, 2013
152013
A-Site Diffusion in La1− xSrxMnO3: Ab Initio and Kinetic Monte Carlo Calculations
B Puchala, YL Lee, D Morgan
Journal of The Electrochemical Society 160 (8), F877-F882, 2013
142013
A comparison of Redlich-Kister polynomial and cubic spline representations of the chemical potential in phase field computations
GH Teichert, NSH Gunda, S Rudraraju, AR Natarajan, B Puchala, ...
Computational Materials Science 128, 127-139, 2017
132017
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