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Indexed by:期刊论文

Date of Publication:2014-03-01

Journal:COMPUTATIONAL MATERIALS SCIENCE

Included Journals:SCIE、EI、Scopus

Volume:84

Page Number:301-305

ISSN No.:0927-0256

Key Words:Ab initio; Exact muffin-tin orbitals (EMTO); Polycrystalline elastic properties; Disordered BCC Fe-Cr-W alloys

Abstract:Reduced activation ferritic/martensitic (RAFM) steels are considered as the primary candidate for the blanket module in International Thermonuclear Experimental Reactor (ITER), and the basic composition of RAFM steels is Fe-Cr-W alloy. Using the exact muffin-tin orbitals method (EMTO) combined with coherent potential approximation (CPA), we investigated composition dependence of elastic properties for Fe-Cr-W random alloys in the composition range of 7.8-10.0 wt.% of Cr and 1.0-2.0 wt.% of W. Bulk modulus, shear modulus, Young's modulus, B/G ratio, and Poisson ratio are discussed as functions of ternary composition. The elastic moduli of Fe-Cr-W alloys increase with chromium content in the studied range of alloy compositions, the effect of tungsten is slight. (C) 2013 Elsevier B. V. All rights reserved.