Skip to main content
SpringerLink
Log in

Molecular Dynamics Simulations of Supercooled Liquid Metals and Glasses

  • Published:
MRS Online Proceedings Library Aims and scope

Abstract

The thermodynamic, transport and structural properties of a binary metallic glass former in solid, liquid, and glass phases were studied using molecular dynamics simulation. We used a model binary alloy system with a sufficient atomic size mismatch and observed a glass transition in a quenching process. The diffusivity and viscosity were calculated in the liquid state and the super-cooled liquid state. The smaller atom showed higher diffusivity and more configurational randomness compared to the larger atom. The viscosity increased abruptly around the glass transition temperature. The solvent/solute concentration effect on the glass transition was examined in terms of a packing fraction. We find that the glass forming ability increases with the packing fraction in the liquid state because the densely-packed material requires more time to rearrange and crystallize.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Sutton AP, J Chen, Phil Mag Lett 61: (3) 139–146 (1990)

    Article  Google Scholar 

  2. T Cagin, Y Qi, H Li, Y Kimura, H Ikeda, Johnson WL, and WA Goddard, III “Calculation of thermal, mechanical and transport properties of model glass formers,” in Bulk Metallic Glasses, Eds. A. Inoue, W. L. Johnson, C. T. Liu, MRS Symp. Ser. 554, pp 43–48 (1999).

    CAS  Google Scholar 

  3. T Cagin, G Dereli, M Uludogan, M Tomak, Phys. Rev. B 59, 3468–3473 (1999)

    Article  CAS  Google Scholar 

  4. M Li, Johnson WL, Phys. Rev. B 46, 5237–5241 (1992)

    Article  CAS  Google Scholar 

  5. Y Qi, T Cagin, Y Kimura, Goddard WA, Phys. Rev. B 59, 3527–3533 (1999)

    Article  CAS  Google Scholar 

  6. Ray JR, A Rahman, J Chem Phys 82, 4243–4247 (1985)

    Article  CAS  Google Scholar 

  7. M.P. Allen and D.J. Tildesley, Computer Simulations of Liquids, Oxford, Clarendon 1967

    Google Scholar 

  8. Tang XP, U Geyer, R Busch, Johnson WL, Y Wu, Nature 402, 160–162 (1999)

    Article  CAS  Google Scholar 

  9. A Inoue, T Zhang, T Masumoto, J. Non-Crystal. Sol. 156, 473–480 (1993)

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Materials Science Department, 138-78 California Institute of Technology, Pasadena, CA, 91125, USA

    Hyon-Jee Lee & William L. Johnson

  2. Materials and Process Simulation Center, 139-74 California Institute of Technology, Pasadena, CA, 91125, USA

    Yue Qi, Alejandro Strachan, Tahir Cagin & William A. Goddard

Authors
  1. Hyon-Jee Lee
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Yue Qi
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Alejandro Strachan
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Tahir Cagin
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. William A. Goddard
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. William L. Johnson
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Lee, HJ., Qi, Y., Strachan, A. et al. Molecular Dynamics Simulations of Supercooled Liquid Metals and Glasses. MRS Online Proceedings Library 644, 23 (2000). https://doi.org/10.1557/PROC-644-L2.3

Download citation

  • Published:

  • DOI: https://doi.org/10.1557/PROC-644-L2.3

Search

Navigation