Solute-induced solid-solution softening and hardening in bcc tungsten

被引：116

作者：

Hu, Yong-Jie ^{[1
]}

Fellinger, Michael R. ^{[2
]}

Bulter, Brady G. ^{[3
]}

Wang, Yi ^{[1
]}

Darling, Kristopher A. ^{[3
]}

Kecskes, Laszlo J. ^{[3
]}

Trinkle, Dallas R. ^{[2
]}

Liu, Zi-Kui ^{[1
]}

机构：

[1] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA

[2] Univ Illinois, Dept Mat Sci & Engn, 1304 W Green St, Urbana, IL 61801 USA

[3] US Army, Res Lab, Weap & Mat Res Directorate, RDRL-WMM-F,Aberdeen Proving Ground, Aberdeen Proving Ground, MD 21005 USA

来源：

ACTA MATERIALIA | 2017年 / 141卷

基金：

美国国家科学基金会;

关键词：

Solute-dislocation interaction; Dislocation theory; W-based alloys; First-principles calculation; SCREW DISLOCATIONS; 1ST PRINCIPLES; FLOW-STRESS; METALS; ALLOYS; REPRESENTATION; DEFORMATION; TEMPERATURE; SIMULATION; STRENGTH;

D O I：

10.1016/j.actamat.2017.09.019

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The solute-induced softening and hardening effects in bcc W for twenty-one substitutional alloying elements (Al, Co, Cr, Fe, Hf, Ir, Mn, Mo, Nb, Ni, Os, Pd, Pt, Re, Rh, Ru, Ta, Tc, Ti, V and Zr) are examined to search for a similar softening effect as that observed with Re. The changes in energy barriers of dislocation motion caused by solute-dislocation interactions are directly computed via a first-principles approach with flexible boundary conditions. The effect of solutes on the critical resolved shear stress of the 1/2 <111> screw dislocation in bcc W at room temperature is quantitatively predicted, as a function of alloy concentration, via a mesoscopic solid-solution model using the first-principles results as input. Al and Mn are proposed to be promising substitutes for Re as these two elements introduce similar softening effects as Re in bcc W. In addition, the trends of the solute-dislocation interactions, and their correlations to the dislocation core structure geometries are discussed. (c) 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：304 / 316

页数：13

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