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In this work, the liquid-phase sintering of Zr45Cu45Al10 alloy nanoparticles was studied by molecular dynamics simulations. For the simulation, nanoparticles were obtained using previously simulated melt at a temperature of 1600 K. The simulations were carried out in the temperature range 1600–400 K when the nanoparticles were cooled. The cooling rate during the simulation was sufficient to ensure the formation of an amorphous phase. To analyze the structure of the sintered nanoparticles, we used total and partial functions of atomic distribution as well as distributions of coordination numbers. The temperature dependence of the interatomic distances was interpreted using of the hard and soft spheres model. A more detailed study of the particles structure obtained by the liquid-phase sintering method was performed using polyhedral analysis with different types of quasicrystalline order.

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Molecular Dynamics Simulation of Liquid-Phase Sintering of Nanoparticles with High Glass-Forming Ability

  • 会议论文

  • 发表日期：

    2025年

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  • Ihor Shtablavyi,
  • Nazar Popilovskyi,
  • Stepan Mudry

摘要

In this work, the liquid-phase sintering of Zr45Cu45Al10 alloy nanoparticles was studied by molecular dynamics simulations. For the simulation, nanoparticles were obtained using previously simulated melt at a temperature of 1600 K. The simulations were carried out in the temperature range 1600–400 K when the nanoparticles were cooled. The cooling rate during the simulation was sufficient to ensure the formation of an amorphous phase. To analyze the structure of the sintered nanoparticles, we used total and partial functions of atomic distribution as well as distributions of coordination numbers. The temperature dependence of the interatomic distances was interpreted using of the hard and soft spheres model. A more detailed study of the particles structure obtained by the liquid-phase sintering method was performed using polyhedral analysis with different types of quasicrystalline order.