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
169 2012 Atomic structure of Zr41. 2Ti13. 8Cu12. 5Ni10Be22. 5 bulk metallic glass alloy X Hui, HZ Fang, GL Chen, SL Shang, Y Wang, JY Qin, ZK Liu
Acta Materialia 57 (2), 376-391, 2009
130 2009 A comprehensive first-principles study of pure elements: vacancy formation and migration energies and self-diffusion coefficients SL Shang, BC Zhou, WY Wang, AJ Ross, XL Liu, YJ Hu, HZ Fang, ...
Acta Materialia 109, 128-141, 2016
125 2016 Molecular dynamics simulations of the effects of vacancies on nickel self-diffusion, oxygen diffusion and oxidation initiation in nickel, using the ReaxFF reactive force field C Zou, YK Shin, ACT Van Duin, H Fang, ZK Liu
Acta Materialia 83, 102-112, 2015
106 2015 First-principles calculations of lattice dynamics and thermal properties of polar solids Y Wang, SL Shang, H Fang, ZK Liu, LQ Chen
npj Computational Materials 2 (1), 1-10, 2016
100 2016 Al-centered icosahedral ordering in Cu46Zr46Al8 bulk metallic glass HZ Fang, X Hui, GL Chen, ZK Liu
Applied Physics Letters 94 (9), 2009
82 2009 Vacancy mechanism of oxygen diffusivity in bcc Fe: A first-principles study SL Shang, HZ Fang, J Wang, CP Guo, Y Wang, PD Jablonski, Y Du, ...
Corrosion Science 83, 94-102, 2014
73 2014 Anomalous structural dynamics in liquid Al80Cu20: An ab initio molecular dynamics study WY Wang, JJ Han, HZ Fang, J Wang, YF Liang, SL Shang, Y Wang, ...
Acta Materialia 97, 75-85, 2015
68 2015 A fundamental stability study for amorphous LiLaTiO3 solid electrolyte Z Zheng, H Fang, Z Liu, Y Wang
Journal of The Electrochemical Society 162 (1), A244, 2014
61 2014 First-principles lattice dynamics, thermodynamics, and elasticity of Cr2O3 Y Wang, H Fang, CL Zacherl, Z Mei, S Shang, LQ Chen, PD Jablonski, ...
Surface Science 606 (17-18), 1422-1425, 2012
60 2012 Amorphous LiLaTiO3 as solid electrolyte material Z Zheng, H Fang, F Yang, ZK Liu, Y Wang
Journal of The Electrochemical Society 161 (4), A473, 2014
54 2014 Nature of ferroelectric-paraelectric phase transition and origin of negative thermal expansion in H Fang, Y Wang, S Shang, ZK Liu
Physical Review B 91 (2), 024104, 2015
53 2015 First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques HZ Fang, SL Shang, Y Wang, ZK Liu, D Alfonso, DE Alman, YK Shin, ...
Journal of Applied Physics 115 (4), 2014
47 2014 Atomic structure and diffusivity in liquid Al80Ni20 by ab initio molecular dynamics simulations WY Wang, HZ Fang, SL Shang, H Zhang, Y Wang, X Hui, S Mathaudhu, ...
Physica B: Condensed Matter 406 (15-16), 3089-3097, 2011
40 2011 Insight into structural, elastic, phonon, and thermodynamic properties of α-sulfur and energy-related sulfides: a comprehensive first-principles study SL Shang, Y Wang, P Guan, WY Wang, H Fang, T Anderson, ZK Liu
Journal of Materials Chemistry A 3 (15), 8002-8014, 2015
37 2015 Ab initio molecular dynamics simulation for structural transition of Zr during rapid quenching processes HZ Fang, X Hui, GL Chen, R Öttking, YH Liu, JA Schaefer, ZK Liu
Computational materials science 43 (4), 1123-1129, 2008
37 2008 Structural evolution of Cu during rapid quenching by ab initio molecular dynamics HZ Fang, X Hui, GL Chen, ZK Liu
Physics Letters A 372 (36), 5831-5837, 2008
34 2008 Icosahedral ordering in Zr41Ti14Cu12. 5Ni10Be22. 5 bulk metallic glass X Hui, HZ Fang, GL Chen, SL Shang, Y Wang, ZK Liu
Applied Physics Letters 92 (20), 2008
34 2008 Effects of Mn addition on the magnetic property and corrosion resistance of bulk amorphous steels H Fang, X Hui, G Chen
Journal of alloys and compounds 464 (1-2), 292-295, 2008
26 2008 Atomic structures of Zr-based metallic glasses XD Hui, XJ Liu, R Gao, HY Hou, HZ Fang, ZK Liu, GL Chen
Science in China Series G: Physics, Mechanics and Astronomy 51 (4), 400-413, 2008
26 2008 