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Excess pressure of the phonon gas in nanocrystals

机译:纳米晶体中声子气体的过压

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摘要

We propose a method for the statistical description of nanocrystalline systems. It is demonstrated that a change either in the size or in the surface state of a nanoparticle leads to a corresponding change in the parameters of the statistical distribution of the atomic displacements and, therefore, to changes in the energetic characteristics of the bulk part of the nanocrystal. In particular, for a free particle, size reduction is accompanied by an increase in energy and pressure of the phonon gas. The pressure of the phonon gas depends on temperature and is directed outside the crystal. Since temperature and pressure are independent thermodynamic variables determining the state of the matter, the presence of an excess pressure of the phonon gas leads to a change of the melting temperature and of other thermodynamic properties of the nanocrystal. A consequence of these size-dependent effects in nanocrystals is non-additivity of the energy, which can manifest itself in possible temperature change and heat release due to a tight contact of nanocrystals.
机译:我们提出了一种纳米晶体系的统计描述方法。结果表明,纳米颗粒的大小或表面状态的变化会导致原子位移统计分布参数的相应变化,从而导致纳米晶体主体部分的能量特性发生变化。特别是,对于自由粒子,尺寸减小伴随着声子气体的能量和压力的增加。声子气体的压力取决于温度,并被引导到晶体外部。由于温度和压力是决定物质状态的独立热力学变量,因此声子气体的过压的存在会导致纳米晶体的熔化温度和其他热力学性质的变化。纳米晶体中这些尺寸依赖性效应的结果是能量的非累加性,这可以表现为由于纳米晶体紧密接触而可能发生的温度变化和热量释放。

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