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Indexed by:期刊论文

Date of Publication:2011-07-01

Journal:COMPUTATIONAL MATERIALS SCIENCE

Included Journals:SCIE、EI

Volume:50

Issue:9

Page Number:2727-2731

ISSN No.: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.