TY - JOUR
T1 - Comparison of two tungsten-helium interatomic potentials
AU - Wang, Li Fang
AU - Shu, Xiaolin
AU - Lu, Guang Hong
N1 - Publisher Copyright:
Copyright © Materials Research Society 2015.
PY - 2015/1/27
Y1 - 2015/1/27
N2 - We have clarified the performance of two tungsten-helium analytical interatomic potentials, one of which, developed by Li et al., is a bond-order potential, and another, developed by Juslin et al., is a combination of embedded atom method potential and pair potential. Using these two potentials, we have simulated and made a full comparison of formation energy and migration energy of different defects including helium and vacancy, binding energies of helium and vacancy with helium-vacancy cluster, surface energy, as well as melting point, with reference to the corresponding results from the first-principles and experiments.
AB - We have clarified the performance of two tungsten-helium analytical interatomic potentials, one of which, developed by Li et al., is a bond-order potential, and another, developed by Juslin et al., is a combination of embedded atom method potential and pair potential. Using these two potentials, we have simulated and made a full comparison of formation energy and migration energy of different defects including helium and vacancy, binding energies of helium and vacancy with helium-vacancy cluster, surface energy, as well as melting point, with reference to the corresponding results from the first-principles and experiments.
UR - https://www.scopus.com/pages/publications/84929712438
U2 - 10.1557/jmr.2014.407
DO - 10.1557/jmr.2014.407
M3 - 文章
AN - SCOPUS:84929712438
SN - 0884-2914
VL - 30
SP - 1464
EP - 1472
JO - Journal of Materials Research
JF - Journal of Materials Research
IS - 9
ER -