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Cooling rate effects on structure and thermodynamics of amorphous nanoparticles

机译:冷却速率对非晶态纳米颗粒结构和热力学的影响

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摘要

Cooling rate effects on structure and thermodynamics of amorphous nanoparticles were studied in a spherical model using Molecular Dynamics (MD) method. The good equilibrium melts are cooling down by three different cooling rates in order to observe the cooling rate effects. We find that cooling rate effects on thermodynamic quantities such as potential energy and surface energy are more pronounced than those for static quantities. Microstructure of amorphous nanoparticles is analyzed via radial distribution function (RDF) and coordination number distributions. Relatively weak cooling rate effects on such quantities are found. Microstructure of surface and core of amorphous nanoparticles are analyzed.
机译:使用分子动力学(MD)方法在球形模型中研究了冷却速率对非晶态纳米颗粒结构和热力学的影响。良好的平衡熔体通过三种不同的冷却速率冷却下来,以观察冷却速率的影响。我们发现,冷却速率对热力学量(例如势能和表面能)的影响比静态量的影响更为明显。通过径向分布函数(RDF)和配位数分布分析非晶态纳米颗粒的微观结构。发现冷却速度对这种量的影响相对较弱。分析了无定形纳米粒子的表面和核心的微观结构。

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