Yaochun Yang

Ab initio study of the elastic properties of body-centered cubic Ti-Mo-based alloys

Yunzhi Wang, Xiangdong Ding, Levente Vitos, 2020 .

Chlorine Passivation of Grain Boundary Suppresses Electron–Hole Recombination in CsPbBr3 Perovskite by Nonadiabatic Molecular Dynamics Simulation

R. Long, Jinlu He, Yaochun Yang, 2019, ACS Applied Energy Materials.

Vanadium carbide coating as hydrogen permeation barrier: A DFT study

Jijun Zhao, Shaosong Huang, Jianhua Ding, 2019, International Journal of Hydrogen Energy.

Twinning pathways in Fe and Fe–Cr alloys from first-principles theory

S. Schönecker, L. Vitos, Wei Li, 2021, Acta Materialia.

First-principles investigation of hydrogen behavior in different oxides in ODS steels

Jijun Zhao, Dan Sun, Jianhua Ding, 2019, International Journal of Hydrogen Energy.

First-principles investigations of intrinsic point defects and helium impurities in vanadium monocarbide

Jijun Zhao, Dan Sun, Shaosong Huang, 2020 .

First-principles calculations of vacancy-O-He and vacancy-N-He complexes in vanadium

Jijun Zhao, Dan Sun, Shaosong Huang, 2019, Computational Materials Science.

The effect of Cr on He segregation and diffusion at Σ3(1 1 2) grain boundary in α-Fe

Jijun Zhao, Shaosong Huang, Jianhua Ding, 2019, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms.

Atomistic understanding of helium behaviors at grain boundaries in vanadium

Jijun Zhao, Shaosong Huang, Hualei Zhang, 2019, Computational Materials Science.

Ab initio modelling of helium behavior in α-Fe/TaC interface

Jijun Zhao, Dan Sun, Jianhua Ding, 2021 .

Interfacial reaction and mechanical properties of Al/Sn-Zn-Ni/Cu solder joints

Mingliang L. Huang, Haitao Ma, Yaochun Yang, 2013, 2013 14th International Conference on Electronic Packaging Technology.

A first-principles study of helium diffusion in quartz and coesite under high pressure up to 12GPa

Jijun Zhao, Hong Liu, Yi Li, 2020 .