| Efficient stochastic generation of special quasirandom structures A van de Walle, P Tiwary, M de Jong, DL Olmsted, M Asta, A Dick, D Shin, ... Calphad 42, 13-18, 2013 | 1360 | 2013 |
| Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations Y Wang, ZK Liu, LQ Chen Acta Materialia 52 (9), 2665-2671, 2004 | 587 | 2004 |
| Ab initio lattice stability in comparison with CALPHAD lattice stability Y Wang, S Curtarolo, C Jiang, R Arroyave, T Wang, G Ceder, LQ Chen, ... Calphad 28 (1), 79-90, 2004 | 452 | 2004 |
| First-principles thermodynamics from phonon and Debye model: Application to Ni and Ni3Al SL Shang, Y Wang, DE Kim, ZK Liu Computational Materials Science 47 (4), 1040-1048, 2010 | 447 | 2010 |
| First-principles calculations of pure elements: Equations of state and elastic stiffness constants SL Shang, A Saengdeejing, ZG Mei, DE Kim, H Zhang, S Ganeshan, ... Computational Materials Science 48 (4), 813-826, 2010 | 333 | 2010 |
| High‐performance polymers sandwiched with chemical vapor deposited hexagonal boron nitrides as scalable high‐temperature dielectric materials A Azizi, MR Gadinski, Q Li, MA AlSaud, J Wang, Y Wang, B Wang, F Liu, ... Advanced Materials 29 (35), 1701864, 2017 | 328 | 2017 |
| First-principles elastic constants of α-and θ-Al2O3 S Shang, Y Wang, ZK Liu Applied Physics Letters 90 (10), 101909, 2007 | 321 | 2007 |
| A mixed-space approach to first-principles calculations of phonon frequencies for polar materials Y Wang, JJ Wang, WY Wang, ZG Mei, SL Shang, LQ Chen, ZK Liu Journal of Physics: Condensed Matter 22 (20), 202201, 2010 | 316 | 2010 |
| First-principles calculation of self-diffusion coefficients M Mantina, Y Wang, R Arroyave, LQ Chen, ZK Liu, C Wolverton Physical review letters 100 (21), 215901, 2008 | 311 | 2008 |
| First principles impurity diffusion coefficients M Mantina, Y Wang, LQ Chen, ZK Liu, C Wolverton Acta Materialia 57 (14), 4102-4108, 2009 | 298 | 2009 |
| Elastic constants of binary Mg compounds from first-principles calculations S Ganeshan, SL Shang, H Zhang, Y Wang, M Mantina, ZK Liu Intermetallics 17 (5), 313-318, 2009 | 275 | 2009 |
| A first-principles approach to finite temperature elastic constants Y Wang, JJ Wang, H Zhang, VR Manga, SL Shang, LQ Chen, ZK Liu Journal of Physics: Condensed Matter 22 (22), 225404, 2010 | 259 | 2010 |
| Generalized stacking fault energy, ideal strength and twinnability of dilute Mg-based alloys: A first-principles study of shear deformation SL Shang, WY Wang, BC Zhou, Y Wang, KA Darling, LJ Kecskes, ... Acta Materialia 67, 168-180, 2014 | 246 | 2014 |
| Effect of alloying elements on the elastic properties of Mg from first-principles calculations S Ganeshan, SL Shang, Y Wang, ZK Liu Acta Materialia 57 (13), 3876-3884, 2009 | 230 | 2009 |
| Enthalpies of formation of magnesium compounds from first-principles calculations H Zhang, S Shang, JE Saal, A Saengdeejing, Y Wang, LQ Chen, ZK Liu Intermetallics 17 (11), 878-885, 2009 | 217 | 2009 |
| Calculated equation of state of Al, Cu, Ta, Mo, and W to 1000 GPa Y Wang, D Chen, X Zhang Physical review letters 84 (15), 3220, 2000 | 217 | 2000 |
| Diffusion coefficients of alloying elements in dilute Mg alloys: A comprehensive first-principles study BC Zhou, SL Shang, Y Wang, ZK Liu Acta Materialia 103, 573-586, 2016 | 205 | 2016 |
| Effects of alloying element and temperature on the stacking fault energies of dilute Ni-base superalloys SL Shang, CL Zacherl, HZ Fang, Y Wang, Y Du, ZK Liu Journal of Physics: Condensed Matter 24 (50), 505403, 2012 | 193 | 2012 |
| Effect of substrate-induced strains on the spontaneous polarization of epitaxial thin films JX Zhang, YL Li, Y Wang, ZK Liu, LQ Chen, YH Chu, F Zavaliche, ... Journal of applied physics 101 (11), 114105, 2007 | 163 | 2007 |
| First-principles calculations of twin-boundary and stacking-fault energies in magnesium Y Wang, LQ Chen, ZK Liu, SN Mathaudhu Scripta Materialia 62 (9), 646-649, 2010 | 162 | 2010 |
Zi-Kui Liu, Dorothy Pate Enright Profes...The Pennsylvania State University確認したメール アドレス: psu.edu
