The effect of microstructure on the phase transformation behavior of NiTi shape memory alloys： A molecular simulation

HU Lingling; LIU Hongyu; YIN Qiuyun

doi:10.13471/j.cnki.acta.snus.2022B034

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The effect of microstructure on the phase transformation behavior of NiTi shape memory alloys： A molecular simulation

Research articles | 更新时间：2023-11-01

- The effect of microstructure on the phase transformation behavior of NiTi shape memory alloys： A molecular simulation
- Acta Scientiarum Naturalium Universitatis Sunyatseni Vol. 61, Issue 6, Pages: 81-88(2022)
- 作者机构：
  
  中山大学航空航天学院，广东深圳 518107
- 作者简介：
- 基金信息：
- DOI：10.13471/j.cnki.acta.snus.2022B034
  CLC： O369
- Published：25 November 2022，
  
  Published Online：07 May 2022，
  
  Received：31 March 2022，
  
  Accepted：16 April 2022
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胡玲玲,刘宏宇,殷秋运.微结构对NiTi形状记忆合金相变行为影响的分子动力学模拟[J].中山大学学报(自然科学版),2022,61(06):81-88.

HU Lingling,LIU Hongyu,YIN Qiuyun.The effect of microstructure on the phase transformation behavior of NiTi shape memory alloys： A molecular simulation[J].Acta Scientiarum Naturalium Universitatis Sunyatseni,2022,61(06):81-88.
胡玲玲,刘宏宇,殷秋运.微结构对NiTi形状记忆合金相变行为影响的分子动力学模拟[J].中山大学学报(自然科学版),2022,61(06):81-88. DOI： 10.13471/j.cnki.acta.snus.2022B034.

HU Lingling,LIU Hongyu,YIN Qiuyun.The effect of microstructure on the phase transformation behavior of NiTi shape memory alloys： A molecular simulation[J].Acta Scientiarum Naturalium Universitatis Sunyatseni,2022,61(06):81-88. DOI： 10.13471/j.cnki.acta.snus.2022B034.

摘要

NiTi形状记忆合金复杂的相变与塑性变行为与其微结构演化密切相关。通过分子动力学模拟，文章研究了晶界、初始微缺陷对于NiTi合金动力学响应行为的影响。结果表明，晶界能是影响多晶NiTi合金相变应力的主控因素之一。随着晶界能的减小，马氏体相变应力逐渐减小。另外，刃型位错条件下，NiTi合金主要发生B19塑性滑移。Ti空位缺陷与螺型位错条件下，存在B19→B19’相变行为与塑性变形竞争。二者区别主要在于影响NiTi合金塑性变形模式。Ti空位缺陷条件下，以塑性滑移变形为主导。螺型位错条件下，以孪晶塑性变形为主导。

Abstract

The microstructure evolution dominates the complicated phase transformation and plastic deformation of NiTi shape memory alloys （SMAs）. In the present study， the effects of grain boundary energy and initial micro-defects on the mechanical behavior of NiTi are investigated through molecular dynamics simulation. It is found that the grain boundary energy is one of the main controlling factors for the phase transformation behavior of NiTi. The martensite transformation stress decreased with the decrease of grain boundary energy. In addition， NiTi alloys with initial edge dislocation mainly experience B19 plastic deformation. Moreover， under initial Ti-vacancy defects and screw dislocation condition， the competition of phase transformation and plastic deformation is observed. The difference is the dominated the plastic deformation modes of NiTi. NiTi with initial Ti-vacancy mainly experiences dislocation slide while NiTi with initial screw dislocation mainly experiences twinning deformation.

关键词

NiTi形状记忆合金晶界微缺陷相变

Keywords

NiTi shape memory alloysgrain boundarymicro-defectsphase transformation

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Lingling HU

Hongyu LIU

Qiuyun YIN

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Department of Applied Mechanics and Engineering，Sun Yat-sen University

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