Release Time:2019-03-09  Hits:

Indexed by: Journal Article

Date of Publication: 2011-07-01

Journal: COMPUTATIONAL MATERIALS SCIENCE

Included Journals: EI、SCIE

Volume: 50

Issue: 9

Page Number: 2727-2731

ISSN: 0927-0256

Abstract: V-(4-5) wt.% Cr-(4-5) wt.% Ti alloys are important candidate structural materials for the first-wall and blanket in future fusion reactor. Thus it is necessary to study the fundamental mechanical properties and the irradiation effects of the V-based alloys. Within a random solid solution model, the elastic constants and ideal strength of the V-4Cr-4Ti and the V-5Cr-5Ti alloys were calculated and compared with those of pure V solid. According to the theoretical Cauchy pressure and the ratio of bulk modulus and shear modulus, both alloys exhibit good ductility. Within the 250-atom supercell, inclusion of one vacancy defect or one interstitial H (He) atom will further enhance the ductility of these alloys. (C) 2011 Elsevier B.V. All rights reserved.