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Abstract <p>Isothermal molecular dynamics and embedded atom method are used to study patterns and mechanisms of contact melting (CM) in eutectic bimetallic Ag–Cu systems with different geometries: a plane-parallel Cu<sub>5956</sub>–Ag<sub>4335</sub> bilayer consisting of layers of Cu<sub>5956</sub> and Ag<sub>4335</sub> of the same thickness, and a system of two Ag<sub>1012</sub> and Cu<sub>1445</sub> nanoparticles in the form of rectangular parallelepipeds. In the latter, CM is complicated by a number of other processes, including the daughter nanoparticle acquiring a spherical shape, surface diffusion, and the surface segregation of Ag. The CM kinetics of the bilayer is studied, including the kinetic dependence of the potential part of the specific internal energy. This dependence is used to identify and analyze stages of CM. The temperature dependence of the rate of CM is analyzed, and the coefficient of mutual diffusion is estimated. Similar molecular dynamics experiments are performed using Ni–Cu nanosystems. As&#xa0;expected, CM is not observed in these systems because the Ni–Cu alloy is not eutectic.</p>

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Molecular Dynamics Modeling of Contact Melting in Bimetallic Nanosystems

  • 期刊论文

  • 发表日期：

    2025年2月1日

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  • V. M. Samsonov,
  • I. V. Talyzin,
  • S. A. Vasilyev,
  • V. V. Puytov,
  • A. A. Romanov

摘要

Abstract

Isothermal molecular dynamics and embedded atom method are used to study patterns and mechanisms of contact melting (CM) in eutectic bimetallic Ag–Cu systems with different geometries: a plane-parallel Cu5956–Ag4335 bilayer consisting of layers of Cu5956 and Ag4335 of the same thickness, and a system of two Ag1012 and Cu1445 nanoparticles in the form of rectangular parallelepipeds. In the latter, CM is complicated by a number of other processes, including the daughter nanoparticle acquiring a spherical shape, surface diffusion, and the surface segregation of Ag. The CM kinetics of the bilayer is studied, including the kinetic dependence of the potential part of the specific internal energy. This dependence is used to identify and analyze stages of CM. The temperature dependence of the rate of CM is analyzed, and the coefficient of mutual diffusion is estimated. Similar molecular dynamics experiments are performed using Ni–Cu nanosystems. As expected, CM is not observed in these systems because the Ni–Cu alloy is not eutectic.