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Glass transition of an overcooled aluminum melt: A study in molecular dynamics

  • Structure of Matter and Quantum Chemistry
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Abstract

The glass transition of an overcooled aluminum melt upon isobaric and isochoric cooling is studied by means of molecular dynamics. The embedded-atom potential is used to model the aluminum. Three criteria of glass transition (splitting of the second peak of the pair correlation function, an increase in the number of icosahedral clusters, and a change in the activation energy of self-diffusion) are considered. It is shown that the glass transition temperatures determined by these three criteria coincide within the error range. The dependence of the glass transition temperature on the cooling rate is determined from the modeling results and agrees with the Bartenev theoretical model.

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Authors and Affiliations

  1. Joint Institute for High Temperatures, Russian Academy of Sciences, Moscow, 125412, Russia

    L. N. Kolotova, G. E. Norman & V. V. Pisarev

  2. Moscow Physicotechnical Institute, Dolgoprudnyi, Moscow oblast, 141707, Russia

    V. V. Pisarev

Authors
  1. L. N. Kolotova
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  2. G. E. Norman
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  3. V. V. Pisarev
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Correspondence to L. N. Kolotova.

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Original Russian Text © L.N. Kolotova, G.E. Norman, V.V. Pisarev, 2015, published in Zhurnal Fizicheskoi Khimii, 2015, Vol. 89, No. 5, pp. 796–800.

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Kolotova, L.N., Norman, G.E. & Pisarev, V.V. Glass transition of an overcooled aluminum melt: A study in molecular dynamics. Russ. J. Phys. Chem. 89, 802–806 (2015). https://doi.org/10.1134/S0036024415050209

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  • DOI: https://doi.org/10.1134/S0036024415050209

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