63 citations · 170 across the 7 of their papers we have counts for
7 papers
New insight into the diffusion of hydrogen and helium atoms in tungsten
Qing Hou, Ailin Yang, Mingjie Qio +2
Based on the in-detail tracking of the movements of atoms in a large number of molecular dynamics simulation boxes, we find that the diffusion of H and He atoms in single-crystal W…
Estimation of the lifetime of small helium bubbles near tungsten surfaces -- a methodological study
Jiechao Cui, Zhangwen Wu, Qing Hou
Under low energy and high flux/fluence irradiation of helium (He) atoms, the formation and bursting of He bubbles on tungsten (W) surfaces play important roles in the morphological…
On the fraction-dimension migration of self-interstitials in zirconium
Rui Zhong, Chaoqiong Ma, Baoqin Fu +2
MD simulations were conducted to study the self-interstitial migration in zirconium. By defining the crystal lattice point, at which more than one atom fall in the Wigner-Seitz cel…
Effects of temperature and surface orientation on migration behaviours of helium atoms near tungsten surfaces
Xiaoshuang Wang, Zhangwen Wu, Qing Hou
Molecular dynamics simulations were performed to study the dependence of migration behaviours of single helium atoms near tungsten surfaces on the surface orientation and temperatu…
Molecular dynamics simulations of cumulative helium bombardments on tungsten surfaces
Min Li, Jiechao Cui, Jun Wang +1
Molecular dynamics (MD) simulations were performed to study the cumulative bombardments of low-energy (60-200 eV) helium (He) atoms on tungsten (W) surfaces. The behaviour of He an…
A modified W-W interatomic potential based on ab initio calculations
Jun Wang, Yulu Zhou, Min Li +1
Based on ab initio calculations, a Finnis-Sinclair-type interatomic potential for W-W interactions has been developed. The modified potential is able to reproduce the correct forma…
Molecular dynamics simulations with many-body potentials on multiple GPUs - the implementation, package and performance
Qing Hou, Min Li, Yulu Zhou +3
Molecular dynamics (MD) is an important research tool extensively applied in materials science. Running MD on a graphics processing unit (GPU) is an attractive new approach for acc…