Effects of atomic size difference and heat of mixing parameters on the local structure of a model metallic glass system |
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Authors: | Y. S. Yun H. S. Nam P. -R. Cha W. T. Kim D. H. Kim |
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Affiliation: | 1. Center for Non-crystalline Materials, Department of Metallurgical Engineering, Yonsei University, Seoul, 120-749, Korea 2. School of Advanced Materials Engineering, Kookmin University, Seoul, 136-702, Korea 3. Department of Optical Engineering, Cheongju University, Cheongju, 360-764, Korea
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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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