Deformation behavior of annealed Cu64Zr36 metallic glass via molecular dynamics simulations

Yue, Xingxing; Brechtl, Jamieson; Wang, Fajie; Chang, Zexin; Liaw, Peter K.; Fan, Cang

doi:10.1016/j.matdes.2020.108660

Title: Deformation behavior of annealed Cu64Zr36 metallic glass via molecular dynamics simulations

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Abstract

In the present work, we investigate the isothermal annealing process of Cu₆₄Zr₃₆ metallic glass (MG) by means of molecular dynamics (MD) simulations, and characterize the compression properties under different temperatures and compressive rates. The pair distribution functions, the bond-orientational order, and the cluster-type index method are modeled and analyzed to characterize changes in the structure. Results of the modeling and analysis reveal that the MgZn₂-type Laves, MgCu₂-type Laves and five-fold local symmetry structures can be formed during the isothermal holding at 950 K. Study on the compression properties shows that at a fixed strain rate, the yield strength and yield drop all increase with decreasing temperature. At a fixed temperature, however, the increase of the strain rate leads to a noticeable increase in the yield strength at 600 K, but has little effect on yield strength at 10 K. Moreover, the modeling and analysis of the structure at a temperature of 10 K and strain-rate of 5 × 10⁷ s^-1 demonstrate that the order-disorder transformation initiates the shear band.

Authors:

Yue, Xingxing ^[1]; Brechtl, Jamieson ^[2];

^[3]; Chang, Zexin ^[4]; Liaw, Peter K. ^[2]; Fan, Cang ^[1]

Nanjing Univ. of Science and Technology, Nanjing (China)
Univ. of Tennessee, Knoxville, TN (United States)
Qingdao Univ., Shandong (China)
Taiyuan Univ. of Technology, Taiyuan (China)

Publication Date:: Fri Mar 20 00:00:00 EDT 2020

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE; National Science Foundation (NSF)

OSTI Identifier:: 1609039

Grant/Contract Number:: AC05-00OR22725; 50971057; 51371099

Resource Type:: Accepted Manuscript

Journal Name:: Materials & Design

Additional Journal Information:: Journal Volume: 191; Journal Issue: C; Journal ID: ISSN 0264-1275

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; Molecular dynamics; Cu64Zr36 metallic glass; Annealing structure; Compression properties

Citation Formats


                    Yue, Xingxing, Brechtl, Jamieson, Wang, Fajie, Chang, Zexin, Liaw, Peter K., and Fan, Cang. Deformation behavior of annealed Cu64Zr36 metallic glass via molecular dynamics simulations.  United States: N. p., 2020. 
Web.  doi:10.1016/j.matdes.2020.108660.

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                    Yue, Xingxing, Brechtl, Jamieson, Wang, Fajie, Chang, Zexin, Liaw, Peter K., & Fan, Cang. Deformation behavior of annealed Cu64Zr36 metallic glass via molecular dynamics simulations.  United States.  https://doi.org/10.1016/j.matdes.2020.108660

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                    Yue, Xingxing, Brechtl, Jamieson, Wang, Fajie, Chang, Zexin, Liaw, Peter K., and Fan, Cang. Fri .  
"Deformation behavior of annealed Cu64Zr36 metallic glass via molecular dynamics simulations".  United States.  https://doi.org/10.1016/j.matdes.2020.108660.  https://www.osti.gov/servlets/purl/1609039.

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@article{osti_1609039,

  title        = {Deformation behavior of annealed Cu64Zr36 metallic glass via molecular dynamics simulations},

  author       = {Yue, Xingxing and Brechtl, Jamieson and Wang, Fajie and Chang, Zexin and Liaw, Peter K. and Fan, Cang},

  abstractNote = {In the present work, we investigate the isothermal annealing process of Cu64Zr36 metallic glass (MG) by means of molecular dynamics (MD) simulations, and characterize the compression properties under different temperatures and compressive rates. The pair distribution functions, the bond-orientational order, and the cluster-type index method are modeled and analyzed to characterize changes in the structure. Results of the modeling and analysis reveal that the MgZn2-type Laves, MgCu2-type Laves and five-fold local symmetry structures can be formed during the isothermal holding at 950 K. Study on the compression properties shows that at a fixed strain rate, the yield strength and yield drop all increase with decreasing temperature. At a fixed temperature, however, the increase of the strain rate leads to a noticeable increase in the yield strength at 600 K, but has little effect on yield strength at 10 K. Moreover, the modeling and analysis of the structure at a temperature of 10 K and strain-rate of 5 × 107 s-1 demonstrate that the order-disorder transformation initiates the shear band.},

  doi          = {10.1016/j.matdes.2020.108660},

  journal      = {Materials & Design},

  number       = C,

  volume       = 191,

  place        = {United States},

  year         = {Fri Mar 20 00:00:00 EDT 2020},

  month        = {Fri Mar 20 00:00:00 EDT 2020}

}

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