孪晶取向对Au纳米线变形机制影响的模拟  

Simulation of effect of twin orientation on deformation mechanism of Au nanowire

作　　者：邹鹏飞 侯兆阳[1] 肖启鑫 李克凡 高全华[1] 王真[1] 高磊 ZOU Pengfei;HOU Zhaoyang;XIAO Qixin;LI Kefan;GAO Quanhua;WANG Zhen;GAO Lei(School of Science,Chang’an University,Xi’an 710064,China)

机构地区：[1]长安大学理学院,西安710064

出　　处：《中国有色金属学报》2024年第1期196-206,共11页The Chinese Journal of Nonferrous Metals

基　　金：国家自然科学基金资助项目(52201103);陕西省自然科学基金资助项目(2023JCYB445);中央高校基本科研业务费专项资金资助项目(300102122201,300102122106)。

摘　　要：本文采用分子动力学方法,阐明了Au纳米线各力学特性参数随孪晶取向角度的变化规律,以及不同变形机制发生的孪晶取向角度范围。结果表明:在较小孪晶取向角度下(0°<θ<90°),纳米线具有较高的强度,不全位错与孪晶面相互作用引起的应变局域化主导了其塑性变形;在中等孪晶取向角度下(18°≤θ≤75°),退孪生主导了Au纳米线塑性变形,尤其是30°≤θ≤60°时,完全退孪生引发的应变硬化,使得纳米线具有较高塑性;在较大孪晶取向角度下(75°<θ≤90°),纳米线具有较高的强度,但塑性较差,不全位错连续穿越孪晶界引起的位错链主导了Au纳米线塑性变形。In this work,the relationships between twinning orientation and mechanical properties were investigated by molecular dynamics method,and the range of twinning orientation angles occurring different deformation mechanisms was revealed.In the small twinning orientations,the nanowires have high strength,and the strain localization caused by twin boundary-dislocation interaction dominates its plastic deformation.In the medium twinning orientations,the detwinning is a governing deformation mechanism.Specifically,the complete detwinning induces strain hardening in the twinning orientation angles(30°≤θ≤60°),which results in its high plasticity.In the large twinning orientations,the nanowires possess high strength but poor plasticity,and the dislocation linkage dominates its plastic deformation.

关 键 词：Au纳米线 分子动力学模拟 孪晶取向 变形机制 

分 类 号：TG146.31[一般工业技术—材料科学与工程]