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arXiv · 1707.04799

Monte Carlo Study of the Crystalline and Amorphous NaK Alloy

Doug Reitz·Estela Blaisten-Barojas
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Abstract

Metropolis Monte Carlo simulations of the eutectic NaK alloy are performed using the Second Moment Approximation (SMA) model potential across a wide range of temperatures at constant pressure. The alloy structure and thermodynamics are analyzed along with the atomic level structures using a variety of structure identification methods. Both enthalpy and density are followed along an annealing process that reveals a clear melting point around 250 K. At lower temperatures, two thermodynamic branches are identified as crystalline and amorphous solids.

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Doug Reitz, Estela Blaisten-Barojas. 2017-07-15. Monte Carlo Study of the Crystalline and Amorphous NaK Alloy. https://doi.org/10.1016/j.procs.2017.05.232

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