| 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 | 179 | 2012 |
| 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 | 134 | 2016 |
| 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 |
| 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 | 115 | 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 | 103 | 2016 |
| Al-centered icosahedral ordering in Cu46Zr46Al8 bulk metallic glass HZ Fang, X Hui, GL Chen, ZK Liu Applied Physics Letters 94 (9), 2009 | 83 | 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 | 75 | 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 |
| 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 | 63 | 2012 |
| 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 |
| 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 | 58 | 2015 |
| 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 | 55 | 2014 |
| 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 | 39 | 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 | 35 | 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 | 35 | 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 |
