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Effects of atomic size difference and heat of mixing parameters on the local structure of a model metallic glass system

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Abstract

Atomic size differences between constituting elements and the heat of mixing are key factors in designing a metallic glass system. In this study, the effects of atomic size differences and the heat of mixing on the glass-forming ability and the local structure of metallic glasses were studied via molecular dynamic simulations of an ideal system known as the Lennard-Jones embedded-atom method model. The atomic size difference and the heat of mixing of the system were varied by means of the Lennard-Jones parameters. The glass transition behavior was characterized based on the chemical short-range order and by a Voronoi analysis. Our simulations lead to optimized windows of atomic size differences and heat of mixing parameters for metallic glass-forming of the model system. Both a greater negative heat of mixing and a larger atomic size difference are necessary for the enhancement of the glass-forming ability.

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Authors and Affiliations

  1. Center for Non-crystalline Materials, Department of Metallurgical Engineering, Yonsei University, Seoul, 120-749, Korea

    Y. S. Yun & D. H. Kim

  2. School of Advanced Materials Engineering, Kookmin University, Seoul, 136-702, Korea

    H. S. Nam & P. -R. Cha

  3. Department of Optical Engineering, Cheongju University, Cheongju, 360-764, Korea

    W. T. Kim

Authors
  1. Y. S. Yun
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  2. H. S. Nam
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  3. P. -R. Cha
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  4. W. T. Kim
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  5. D. H. Kim
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Correspondence to D. H. Kim.

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Yun, Y.S., Nam, H.S., Cha, P.R. et al. Effects of atomic size difference and heat of mixing parameters on the local structure of a model metallic glass system. Met. Mater. Int. 20, 105–111 (2014). https://doi.org/10.1007/s12540-013-6013-z

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  • DOI: https://doi.org/10.1007/s12540-013-6013-z

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