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Indexed by:期刊论文

Date of Publication:2013-05-15

Journal:PHYSICA B-CONDENSED MATTER

Included Journals:SCIE、EI

Volume:417

Page Number:9-12

ISSN No.:0921-4526

Key Words:First principles; Density functional theory; NiAl; APB; Peierls stress; Ductility

Abstract:The calculation of the ductility criterion, the antiphase boundary energy and the Peierls stress indicate that compared with Cr, Au, Fe and Mn are better alloying elements improving the room-temperature ductility of polycrystalline NiAl. If the site preference behavior of Re, Os, Ir, Pt and Co can be reversed, these elements will also become better ductility elements and the Ni antisite at Al site is beneficial to the ductility of NiAl polycrystalline. (C) 2013 Elsevier B.V. All rights reserved.