Effect of alloying elements on ⟨1 1 1⟩ dislocation in NiAl: A first-principles study

被引：12

作者：

Lu, Bai Lin ^{[1
]}

Chen, Guo Qing ^{[2
]}

Qu, Shen ^{[3
]}

Su, Hui ^{[1
]}

Zhou, Wen Long ^{[2
]}

机构：

[1] Liaoning Shihua Univ, Sch Mech Engn, Fushun 113001, Liaoning, Peoples R China

[2] Dalian Univ Technol, Sch Mat Sci & Engn, Dalian 116085, Liaoning, Peoples R China

[3] Dalian Univ Technol, State Key Lab Struct Anal Ind Equipment, Dalian 116085, Liaoning, Peoples R China

来源：

PHYSICA B-CONDENSED MATTER | 2013年 / 417卷

关键词：

First principles; Density functional theory; NiAl; APB; Peierls stress; Ductility; TOTAL-ENERGY CALCULATIONS; DEFORMATION MECHANISMS; SITE PREFERENCE; CRACK-TIP; TENSILE; NUCLEATION; EMISSION; LATTICE; SYSTEMS;

D O I：

10.1016/j.physb.2013.02.027

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

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.

引用

页码：9 / 12

页数：4

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