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Modeling of Disordered Binary Alloys Under Thermal Forcing: Effect of Nanocrystallite Dissociation on Thermal Expansion of AuCu\(_{3}\)

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Abstract

Disordered binary alloys are modeled as a randomly close-packed assembly of nanocrystallites intermixed with randomly positioned atoms, i.e., glassy-state matter. The nanocrystallite size distribution is measured in a simulated macroscopic medium in two dimensions. We have also defined, and measured, the degree of crystallinity as the probability of a particle being a member of nanocrystallites. Both the distribution function and the degree of crystallinity are found to be determined by alloy composition. When heated, the nanocrystallites become smaller in size due to increasing thermal fluctuation. We have modeled this phenomenon as a case of thermal dissociation by means of the law of mass action. The crystallite size distribution function is computed for AuCu\(_{3}\) as a function of temperature by solving some 12 000 coupled algebraic equations for the alloy. The results show that linear thermal expansion of the specimen has contributions from the temperature dependence of the degree of crystallinity, in addition to respective thermal expansions of the nanocrystallites and glassy-state matter.

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Acknowledgments

The ground breaking work for measuring the size distribution functions of crystallites in simulated two-dimensional media was carried out by Jerry Kim of UCLA and Anthony Abraham of Moravian College as NSF-REU participants at Lehigh University. The authors gratefully acknowledge the partial financial support of the study by the National Science Foundation and Lehigh University.

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Authors and Affiliations

  1. Department of Physics, Lewis Laboratory #16, Lehigh University, Bethlehem, PA, 18015-3182, USA

    Y. W. Kim & R. P. Cress

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  1. Y. W. Kim
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  2. R. P. Cress
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Correspondence to Y. W. Kim.

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Kim, Y.W., Cress, R.P. Modeling of Disordered Binary Alloys Under Thermal Forcing: Effect of Nanocrystallite Dissociation on Thermal Expansion of AuCu\(_{3}\) . Int J Thermophys 37, 111 (2016). https://doi.org/10.1007/s10765-016-2118-1

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  • DOI: https://doi.org/10.1007/s10765-016-2118-1

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