中国物理B ›› 2021, Vol. 30 ›› Issue (9): 96201-096201.doi: 10.1088/1674-1056/abf10a

• • 上一篇    下一篇

Molecular dynamics study of coupled layer thickness and strain rate effect on tensile behaviors of Ti/Ni multilayered nanowires

Meng-Jia Su(宿梦嘉)1,2, Qiong Deng(邓琼)1,2,†, Lan-Ting Liu(刘兰亭)1,2, Lian-Yang Chen(陈连阳)1,2, Meng-Long Su(宿梦龙)3, and Min-Rong An(安敏荣)4,‡   

  1. 1 Fundamental Science on Aircraft Structural Mechanics and Strength Laboratory, Northwestern Polytechnical University, Xi'an 710072, China;
    2 School of Aeronautics, Northwestern Polytechnical University, Xi'an 710072, China;
    3 1001 Factory of the Chinese People's Liberation Army, Xi'an 710119, China;
    4 College of Materials Science and Engineering, Xi'an Shiyou University, Xi'an 710065, China
  • 收稿日期:2020-12-09 修回日期:2021-03-11 接受日期:2021-03-23 出版日期:2021-08-19 发布日期:2021-09-06
  • 通讯作者: Qiong Deng, Min-Rong An E-mail:dengqiong24@nwpu.edu.cn;amr_lr@163.com
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No. 11572259), the Natural Science Foundation of Shaanxi Province, China (Grant No. 2019JQ-827), and the Scientific Research Program Funded by Shaanxi Provincial Education Department, China (Grant No. 19JK0672).

Molecular dynamics study of coupled layer thickness and strain rate effect on tensile behaviors of Ti/Ni multilayered nanowires

Meng-Jia Su(宿梦嘉)1,2, Qiong Deng(邓琼)1,2,†, Lan-Ting Liu(刘兰亭)1,2, Lian-Yang Chen(陈连阳)1,2, Meng-Long Su(宿梦龙)3, and Min-Rong An(安敏荣)4,‡   

  1. 1 Fundamental Science on Aircraft Structural Mechanics and Strength Laboratory, Northwestern Polytechnical University, Xi'an 710072, China;
    2 School of Aeronautics, Northwestern Polytechnical University, Xi'an 710072, China;
    3 1001 Factory of the Chinese People's Liberation Army, Xi'an 710119, China;
    4 College of Materials Science and Engineering, Xi'an Shiyou University, Xi'an 710065, China
  • Received:2020-12-09 Revised:2021-03-11 Accepted:2021-03-23 Online:2021-08-19 Published:2021-09-06
  • Contact: Qiong Deng, Min-Rong An E-mail:dengqiong24@nwpu.edu.cn;amr_lr@163.com
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No. 11572259), the Natural Science Foundation of Shaanxi Province, China (Grant No. 2019JQ-827), and the Scientific Research Program Funded by Shaanxi Provincial Education Department, China (Grant No. 19JK0672).

摘要: Novel properties and applications of multilayered nanowires (MNWs) urge researchers to understand their mechanical behaviors comprehensively. Using the molecular dynamic simulation, tensile behaviors of Ti/Ni MNWs are investigated under a series of layer thickness values (1.31, 2.34, and 7.17 nm) and strain rates (1.0×108 s-1≤$\dot \varepsilon$≤ 5.0×1010 s-1). The results demonstrate that deformation mechanisms of isopachous Ti/Ni MNWs are determined by the layer thickness and strain rate. Four distinct strain rate regions in the tensile process can be discovered, which are small, intermediate, critical, and large strain rate regions. As the strain rate increases, the initial plastic behaviors transform from interface shear (the shortest sample) and grain reorientation (the longest sample) in small strain rate region to amorphization of crystalline structures (all samples) in large strain rate region. Microstructure evolutions reveal that the disparate tensile behaviors are ascribed to the atomic fractions of different structures in small strain rate region, and only related to collapse of crystalline atoms in high strain rate region. A layer thickness-strain rate-dependent mechanism diagram is given to illustrate the couple effect on the plastic deformation mechanisms of the isopachous nanowires. The results also indicate that the modulation ratio significantly affects the tensile properties of unequal Ti/Ni MNWs, but barely affect the plastic deformation mechanisms of the materials. The observations from this work will promote theoretical researches and practical applications of Ti/Ni MNWs.

关键词: molecular dynamics, Ti/Ni multilayered nanowires, coupled layer thickness-strain rate effect, plastic deformation mechanisms

Abstract: Novel properties and applications of multilayered nanowires (MNWs) urge researchers to understand their mechanical behaviors comprehensively. Using the molecular dynamic simulation, tensile behaviors of Ti/Ni MNWs are investigated under a series of layer thickness values (1.31, 2.34, and 7.17 nm) and strain rates (1.0×108 s-1≤$\dot \varepsilon$≤ 5.0×1010 s-1). The results demonstrate that deformation mechanisms of isopachous Ti/Ni MNWs are determined by the layer thickness and strain rate. Four distinct strain rate regions in the tensile process can be discovered, which are small, intermediate, critical, and large strain rate regions. As the strain rate increases, the initial plastic behaviors transform from interface shear (the shortest sample) and grain reorientation (the longest sample) in small strain rate region to amorphization of crystalline structures (all samples) in large strain rate region. Microstructure evolutions reveal that the disparate tensile behaviors are ascribed to the atomic fractions of different structures in small strain rate region, and only related to collapse of crystalline atoms in high strain rate region. A layer thickness-strain rate-dependent mechanism diagram is given to illustrate the couple effect on the plastic deformation mechanisms of the isopachous nanowires. The results also indicate that the modulation ratio significantly affects the tensile properties of unequal Ti/Ni MNWs, but barely affect the plastic deformation mechanisms of the materials. The observations from this work will promote theoretical researches and practical applications of Ti/Ni MNWs.

Key words: molecular dynamics, Ti/Ni multilayered nanowires, coupled layer thickness-strain rate effect, plastic deformation mechanisms

中图分类号:  (Mechanical properties of nanoscale systems)

  • 62.25.-g
81.07.Gf (Nanowires) 62.20.-x (Mechanical properties of solids) 81.40.Lm (Deformation, plasticity, and creep)