中国物理B ›› 2013, Vol. 22 ›› Issue (9): 96101-096101.doi: 10.1088/1674-1056/22/9/096101

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

Mechanical behavior of Cu-Zr bulk metallic glasses (BMGs)：A molecular dynamics approach

Muhammad Imrana, Fayyaz Hussaina b, Muhammad Rashida, Yongqing Caib, S. A. Ahmada   

  1. a Department of Physics Simulation Lab, The Islamia University of Bahawalpur 63100, Pakistan;
    b Department of Physics, National University of Singapore, 2 Science Drive 3, 117542, Singapore
  • 收稿日期:2012-12-26 修回日期:2013-03-27 出版日期:2013-07-26 发布日期:2013-07-26
  • 基金资助:
    Project supported by the Higher Education Commission (HEC) of Pakistan (Grant No.+923445490402).

Mechanical behavior of Cu-Zr bulk metallic glasses (BMGs)：A molecular dynamics approach

Muhammad Imrana, Fayyaz Hussaina b, Muhammad Rashida, Yongqing Caib, S. A. Ahmada   

  1. a Department of Physics Simulation Lab, The Islamia University of Bahawalpur 63100, Pakistan;
    b Department of Physics, National University of Singapore, 2 Science Drive 3, 117542, Singapore
  • Received:2012-12-26 Revised:2013-03-27 Online:2013-07-26 Published:2013-07-26
  • Contact: Muhammad Imran E-mail:anam_iub@yahoo.com
  • Supported by:
    Project supported by the Higher Education Commission (HEC) of Pakistan (Grant No.+923445490402).

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摘要： In the present work, three-dimensional molecular dynamics simulation is carried out to elucidate the nanoindentation behaviors of CuZr Bulk metallic glasses (BMGs). The substrate indenter system is modeled using hybrid interatomic potentials including both many-body Finnis Sinclair (FS) and two-body Morse potentials. A spherical rigid indenter (diameter=60 Å(1 Å=1010 m)) is employed to simulate the indentation process. Three samples of BMGs including Cu25Zr75, Cu50Zr50, and Cu75Zr25 are designed and the metallic glasses are formed by rapid cooling from the melt state at about 2000 K. The radial distribution functions are analyzed to reveal the dynamical evolution of the structure of the atoms with different compositions and different cooling rates. The mechanical behavior can be well understood in terms of load-depth curves and Hardness-depth curves during the nanoindentation process. Our results indicate a positive linear relationship between the hardness and the Cu concentration of the BMG sample. To reveal the importance of cooling rate provided during the processing of BMGs, we investigate the indentation behaviors of Cu50Zr50 at three different quenching rates. Nanoindentation results and radial distribution function (RDF) curves at room temperature indicate that a sample can be made harder and more stable by slowing down the quenching rate.

关键词: Bulk metallic glasses (BMGs), nanoindentation, deformation, quenching rate

Abstract: In the present work, three-dimensional molecular dynamics simulation is carried out to elucidate the nanoindentation behaviors of CuZr Bulk metallic glasses (BMGs). The substrate indenter system is modeled using hybrid interatomic potentials including both many-body Finnis Sinclair (FS) and two-body Morse potentials. A spherical rigid indenter (diameter=60 Å(1 Å=1010 m)) is employed to simulate the indentation process. Three samples of BMGs including Cu25Zr75, Cu50Zr50, and Cu75Zr25 are designed and the metallic glasses are formed by rapid cooling from the melt state at about 2000 K. The radial distribution functions are analyzed to reveal the dynamical evolution of the structure of the atoms with different compositions and different cooling rates. The mechanical behavior can be well understood in terms of load-depth curves and Hardness-depth curves during the nanoindentation process. Our results indicate a positive linear relationship between the hardness and the Cu concentration of the BMG sample. To reveal the importance of cooling rate provided during the processing of BMGs, we investigate the indentation behaviors of Cu50Zr50 at three different quenching rates. Nanoindentation results and radial distribution function (RDF) curves at room temperature indicate that a sample can be made harder and more stable by slowing down the quenching rate.

Key words: Bulk metallic glasses (BMGs), nanoindentation, deformation, quenching rate

中图分类号:  (Deformation and plasticity)

  • 62.20.F-
62.20.mm (Fracture) 62.20.mt (Cracks)