Dislocation mobility function as a key to understanding plasticity of refractory metals and alloys

IF 3.1 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Computational Materials Science Pub Date : 2024-09-28 DOI:10.1016/j.commatsci.2024.113411
S. Starikov
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Abstract

The dependence of dislocation mobility on temperature, stress, and alloy composition is a key to describing plastic deformation in metals. A special case is the plasticity of body-centered cubic (bcc) metals and alloys, where the motion of screw dislocations is the rate-limiting process. This paper presents a comprehensive study of the motion of edge and screw dislocations in pure bcc metals (W, Mo and Nb) and complex concentrated alloys. The study involved large-scale atomistic simulations, through which screw dislocation velocities were computed for both athermal and thermally activated regimes. The simulations revealed that the mobility of the screw dislocations shows a strong non-Arrhenius temperature behavior. This is particularly observed for bcc complex alloys. It is also shown that, with an accurate calculation of the dislocation mobility function, the measured plasticity properties can be predicted with sufficient accuracy over a wide temperature range.

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了解难熔金属和合金塑性的关键--位错移动功能
位错移动性与温度、应力和合金成分的关系是描述金属塑性变形的关键。体心立方(bcc)金属和合金的塑性是一个特例,其中螺位错运动是限速过程。本文对纯 bcc 金属(W、Mo 和 Nb)和复杂的浓缩合金中的边缘位错和螺钉位错运动进行了全面研究。该研究涉及大规模原子模拟,通过模拟计算了螺位错在非热激活和热激活状态下的速度。模拟结果表明,螺旋位错的移动性表现出强烈的非阿伦尼斯温度行为。这在 bcc 复合合金中尤为明显。模拟还表明,通过对位错迁移率函数的精确计算,可以在很宽的温度范围内足够精确地预测测得的塑性特性。
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来源期刊
Computational Materials Science
Computational Materials Science 工程技术-材料科学:综合
CiteScore
6.50
自引率
6.10%
发文量
665
审稿时长
26 days
期刊介绍: The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.
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