A molecular dynamics study on formation of the self-accommodation microstructure during phase transformation
A molecular dynamics study on formation of the self-accommodation microstructure during phase transformation
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相变过程中自调节微结构形成的分子动力学研究
DOI：
10.1016/j.jmst.2019.04.035
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发表时间：
2019-11-01
影响因子：
10.9
通讯作者：
Zhang, Wen-zheng
中科院分区：
文献类型：
--
作者：
Sun, Zhi-peng;Zhang, Jin-yu;Zhang, Wen-zheng
自适应显微组织是合金中常见的一种相变织构。本文采用分子动力学模拟方法研究了纯铁从奥氏体到铁素体相变过程中自适应组织演变的细节。结合弹性相互作用能和界面能的分析，解释了不同取向关系铁素体晶粒的生长和收缩。结果发现，应变能决定的优先级潜在的OR，而界面能选择特定的首选OR形成。本原子的过程和充满活力的解释的自适应微观结构提供了有益的洞察观察到的各种合金的相变织构。(C)2019由Elsevier Ltd代表Journal of Materials Science & Technology编辑部出版。
Self-accommodation microstructure, a typical crystallographic texture developed from phase transformation, is often observed in various alloys. In this work, a molecular dynamics simulation was conducted to reveal the fine details of self-accommodation microstructure evolution during the phase transformation from austenite to ferrite in pure iron. The growth and shrinkage of ferrite grains with different orientation relationships (ORs) are interpreted based on the analysis combining the elastic interaction energy and the interfacial energy. It was found that the strain energy determines the priority of potential ORs, while the interfacial energy selects the specific preferred ORs to form. The present atomistic process and energetic interpretation of the self-accommodation microstructure provide helpful insight into phase transformation textures observed in various alloys. (C) 2019 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.