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具有非熔化表面的纳米颗粒中的过热与固液相共存

Superheating and solid-liquid phase coexistence in nanoparticles with nonmelting surfaces.

作者信息

Schebarchov D, Hendy S C

机构信息

School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington 6001, New Zealand.

出版信息

Phys Rev Lett. 2006 Jun 30;96(25):256101. doi: 10.1103/PhysRevLett.96.256101. Epub 2006 Jun 26.

Abstract

We present a phenomenological model of melting in nanoparticles with facets that are only partially wet by their liquid phase. We show that in this model, as the solid nanoparticle seeks to avoid coexistence with the liquid, the microcanonical melting temperature can exceed the bulk melting point and that the onset of coexistence is a first-order transition. We show that these results are consistent with molecular dynamics simulations of aluminum nanoparticles which remain solid above the bulk melting temperature.

摘要

我们提出了一种纳米颗粒熔化的唯象模型,该纳米颗粒具有仅被其液相部分润湿的小平面。我们表明,在该模型中,由于固体纳米颗粒试图避免与液体共存,微正则熔化温度可能超过体相熔点,并且共存的开始是一级相变。我们表明,这些结果与铝纳米颗粒的分子动力学模拟结果一致,铝纳米颗粒在体相熔点以上仍保持固态。

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