[112¯0]织构纳米晶Mg的变形过程分子动力学模拟

IF 9.3 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY
D.-H. Kim , M.V. Manuel , F. Ebrahimi , J.S. Tulenko , S.R. Phillpot
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引用次数: 59

摘要

采用分子动力学模拟方法研究了纳米晶Mg的塑性变形。在[112¯0]织构结构中,拉伸加载过程中观察到滑移和孪晶行为。发现了多种孪晶和滑移过程,以基底滑移和拉伸{101¯2}< 101¯1 >孪晶为主。对于大于~ 30 nm的晶粒尺寸,基底滑移发生在比孪生更低的应变下;对于较小的晶粒尺寸,孪生发生在比滑移更低的应变下。对于小晶粒尺寸,系统产生部分位错;在高应力和大晶粒尺寸下产生扩展型或全型位错。随着外部应力的增加,锥体< c + a >位错也经常产生,导致孪晶活性降低。而在低应力下,仅在晶界处产生拉伸孪晶,在高应力下,在晶界处和晶粒内部产生压缩孪晶。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Deformation processes in [112¯0]-textured nanocrystalline Mg by molecular dynamics simulation

Plastic deformation of nanocrystalline Mg is studied using molecular dynamics simulation. In a [112¯0]-textured structure, slip and twinning behaviors are observed during tensile loading. Various twinning and slip process are identified, with basal slip and tensile {101¯2}101¯1 twinning being dominant. For grain sizes larger than ∼30 nm, basal slip occurs at a lower strain than twinning; for smaller grain sizes, twinning takes place at a lower strain than slip. For small grain sizes, the system generates partial dislocations; extended or full type dislocations are generated at high stress and large grain sizes. As the external stress increases, pyramidal 〈c + a〉 dislocations are also frequently generated, leading to a reduction in twinning activity. Whereas, under low stresses only the tensile twin is created at the grain boundaries, under high stress compressive twins are created at grain boundaries and in the interior of grains.

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来源期刊
Acta Materialia
Acta Materialia 工程技术-材料科学:综合
CiteScore
16.10
自引率
8.50%
发文量
801
审稿时长
53 days
期刊介绍: Acta Materialia serves as a platform for publishing full-length, original papers and commissioned overviews that contribute to a profound understanding of the correlation between the processing, structure, and properties of inorganic materials. The journal seeks papers with high impact potential or those that significantly propel the field forward. The scope includes the atomic and molecular arrangements, chemical and electronic structures, and microstructure of materials, focusing on their mechanical or functional behavior across all length scales, including nanostructures.
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