H. Fang

发表

First-principles calculations of interfacial and segregation energies in α-Cr2O3

Z. K. Liu, S. Shang, P. Jablonski, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

Thermodynamic modeling of the aluminum–iron–oxygen system

Zi-kui Liu, G. Lindwall, Xuan Liu, 2015 .

First-principles lattice dynamics, thermodynamics, and elasticity of Cr2O3

Shun-Li Shang, Yi Wang, Zi-Kui Liu, 2012 .

Al-centered icosahedral ordering in Cu46Zr46Al8 bulk metallic glass

Zi-kui Liu, X. Hui, G. Chen, 2009 .

tural , elastic , phonon , and thermodynamic properties of a-sulfur and energy-related sul fi des : a comprehensive fi rst-principles study †

S. Shang, W. Wang, Pin-Wen Guan, 2015 .

Prediction of Diffusion Coefficients in Liquid and Solids

Zi-kui Liu, S. Shang, Yi Wang, 2015 .

Anomalous structural dynamics in liquid Al80Cu20: An ab initio molecular dynamics study

X. J. Liu, Zi-kui Liu, S. Shang, 2015 .

First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques

Shun-Li Shang, Yun-Jiang Wang, Dominic R. Alfonso, 2014 .

Icosahedral ordering in Zr41Ti14Cu12.5Ni10Be22.5 bulk metallic glass

Y. Wang, Shun-Li Shang, Zi-Kui Liu, 2008 .

A curved pathway for oxygen interstitial diffusion in aluminum

Zi-kui Liu, G. Lindwall, S. Shang, 2017 .

Nature of ferroelectric-paraelectric phase transition and origin of negative thermal expansion in PbTi O 3

Shun-Li Shang, Yi Wang, Zi-Kui Liu, 2015 .

A comprehensive first-principles study of pure elements: Vacancy formation and migration energies and self-diffusion coefficients

Zi-kui Liu, Xuan Liu, S. Shang, 2016 .

Effects of reactive elements on the structure and diffusivity of liquid chromia: Anab initiomolecular dynamics study

Zi-kui Liu, P. Jablonski, H. Fang, 2012 .

Effects of alloying element and temperature on the stacking fault energies of dilute Ni-base superalloys

S. Shang, Y. Wang, H. Fang, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

First-principles calculations of lattice dynamics and thermal properties of polar solids

Shun-Li Shang, Yi Wang, Zi-Kui Liu, 2016 .

Vacancy mechanism of oxygen diffusivity in bcc Fe: A first-principles study

Zi-kui Liu, J. Wang, Yong Du, 2014 .

Effects of Composition on Atomic Structure, Diffusivity, and Viscosity of Liquid Al-Zr Alloys

Zi-kui Liu, S. Shang, Yi Wang, 2012, Metallurgical and Materials Transactions A.

Atomic structure of Zr41.2Ti13.8Cu12.5Ni10Be22.5 bulk metallic glass alloy

Shun-Li Shang, Zi-Kui Liu, Zi-kui Liu, 2009 .

Atomic structure and diffusivity in liquid Al80Ni20 by ab initio molecular dynamics simulations

Zi-kui Liu, S. Shang, X. Hui, 2011 .

Structural characterization of Mg65Cu25Y10 metallic glass from ab initio molecular dynamics

Zi-kui Liu, X. Hui, G. Chen, 2008 .

Ab initio molecular dynamics simulation for structural transition of Zr during rapid quenching processes

Zi-kui Liu, J. Schaefer, X. Hui, 2008 .

Insight into structural, elastic, phonon, and thermodynamic properties of α-sulfur and energy-related sulfides: a comprehensive first-principles study

Zi-kui Liu, S. Shang, Yi Wang, 2015 .

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

A. V. van Duin, Zi-kui Liu, Y. Shin, 2015 .

Amorphous LiLaTiO3 as Solid Electrolyte Material

Fan Yang, Yan Wang, Zhangfeng Zheng, 2014 .

Low energy structures of lithium-ion battery materials Li(MnxNixCo1−2x)O2 revealed by first-principles calculations

Zi-kui Liu, S. Shang, Yi Wang, 2013 .

A Fundamental Stability Study for Amorphous LiLaTiO3 Solid Electrolyte

Zi-kui Liu, Yan Wang, Zhangfeng Zheng, 2015 .

Structural evolution of Cu during rapid quenching by ab initio molecular dynamics

Zi-kui Liu, X. Hui, G. Chen, 2008 .

Impact of W on structural evolution and diffusivity of Ni–W melts: an ab initio molecular dynamics study

Zi-kui Liu, S. Shang, Yi Wang, 2015, Journal of Materials Science.

Tailoring critical Al concentration to form external Al 2 O 3 scale on Ni‐Al alloys by computational approach

Wei Zhao, G. Lindwall, S. Shang, 2022, Journal of the American Ceramic Society.