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Thermodynamics and kinetics of melting and growth of crystalline silicon clusters

机译:热力学和熔融和生长的晶体硅簇的动力学

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Molecular-dynamics (MD) simulations and the Stillinger-Weber three-body potential are used to study the growth and stability of silicon clusters of diameters from 2 to 5 nm embedded in the melt. Our simulations show that the melting temperature of such nano-clusters is lower than the bulk melting temperature by an amount proportional to the inverse of the cluster size. We also show that the nature of the kinetics of such small Si clusters is essentially the same as that of the homoepitaxial growth. In particular, we show that the mobility of the highly-curved crystal-liquid interface is controlled by diffusion in the adjacent melt, and is characterized by the same activation energy.
机译:分子动力学(MD)模拟和SINSERINR-WEBER三体潜力用于研究熔融嵌入中的2至5nm硅簇的生长和稳定性。我们的模拟表明,这种纳米簇的熔化温度通过与簇尺寸的倒数成比例的量比例的熔融温度低。我们还表明,这种小Si簇的动力学的性质基本上与同性恋生长的性质相同。特别地,我们表明高曲线晶体界面的迁移率是通过相邻熔体的扩散来控制的,并且具有相同的激活能量。

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