Comparison of two tungsten–helium interatomic potentials. Issue 9 (28th January 2015)

• Record Type: Journal Article
• Authors: Wang, Li-Fang; Shu, Xiaolin; Lu, Guang-Hong
• Is Part Of: Journal of materials research. Volume 30:Issue 9(2015)
• Page Start: 1464
• Page End: 1472
• Publication Date: 2015-01-28
• Subjects: Materials -- Research -- Periodicals; 620.1105
• DOI: 10.1557/jmr.2014.407
• Languages: English
• ISSNs: 0884-2914

Abstract

Abstract: Abstract : 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.