中国物理B ›› 2016, Vol. 25 ›› Issue (8): 86203-086203.doi: 10.1088/1674-1056/25/8/086203

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

Investigation of mechanical properties of twin gold crystal nanowires under uniaxial load by molecular dynamics method

Guo-Wei Zhang(张国伟), Zai-Lin Yang(杨在林), Gang Luo(罗刚)   

  1. College of Aerospace and Civil Engineering, Harbin Engineering University, Harbin 150001, China
  • 收稿日期:2016-01-29 修回日期:2016-04-11 出版日期:2016-08-05 发布日期:2016-08-05
  • 通讯作者: Zai-Lin Yang E-mail:yangzailin00@163.com
  • 基金资助:
    Project supported by the National Science and Technology Pillar Program, China (Grant No. 2015BAK17B06), the Earthquake Industry Special Science Research Foundation Project, China (Grant No. 201508026-02), the Natural Science Foundation of Heilongjiang Province, China (Grant No. A201310), and the Scientific Research Starting Foundation for Post Doctorate of Heilongjiang Province, China (Grant No. LBHQ13040).

Investigation of mechanical properties of twin gold crystal nanowires under uniaxial load by molecular dynamics method

Guo-Wei Zhang(张国伟), Zai-Lin Yang(杨在林), Gang Luo(罗刚)   

  1. College of Aerospace and Civil Engineering, Harbin Engineering University, Harbin 150001, China
  • Received:2016-01-29 Revised:2016-04-11 Online:2016-08-05 Published:2016-08-05
  • Contact: Zai-Lin Yang E-mail:yangzailin00@163.com
  • Supported by:
    Project supported by the National Science and Technology Pillar Program, China (Grant No. 2015BAK17B06), the Earthquake Industry Special Science Research Foundation Project, China (Grant No. 201508026-02), the Natural Science Foundation of Heilongjiang Province, China (Grant No. A201310), and the Scientific Research Starting Foundation for Post Doctorate of Heilongjiang Province, China (Grant No. LBHQ13040).

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摘要： Twin gold crystal nanowires, whose loading direction is parallel to the twin boundary orientation, are simulated. We calculate the nanowires under tensile or compressive loads, different length nanowires, and different twin boundary nanowires respectively. The Young modulus of nanowires under compressive load is about twice that under tensile load. The compressive properties of twin gold nanowires are superior to their tensile properties. For different length nanowires, there is a critical value of length with respect to the mechanical properties. When the length of nanowire is greater than the critical value, its mechanical properties are sensitive to length. The twin boundary spacing hardly affects the mechanical properties.

关键词: molecular dynamics, twinned crystal boundary, gold nanowires, uniaxial load, mechanical properties

Abstract: Twin gold crystal nanowires, whose loading direction is parallel to the twin boundary orientation, are simulated. We calculate the nanowires under tensile or compressive loads, different length nanowires, and different twin boundary nanowires respectively. The Young modulus of nanowires under compressive load is about twice that under tensile load. The compressive properties of twin gold nanowires are superior to their tensile properties. For different length nanowires, there is a critical value of length with respect to the mechanical properties. When the length of nanowire is greater than the critical value, its mechanical properties are sensitive to length. The twin boundary spacing hardly affects the mechanical properties.

Key words: molecular dynamics, twinned crystal boundary, gold nanowires, uniaxial load, mechanical properties

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

  • 62.25.-g
61.46.-w (Structure of nanoscale materials) 81.07.Nb (Molecular nanostructures)