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Coherent solid/liquid interface with stress relaxation in a phase-field approach to the melting/solidification transition

机译:在相场方法中实现熔融/凝固转变的应力/松弛相干固/液界面

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摘要

An advanced Ginzburg-Landau (GL) approach to melting and solidification coupled with mechanics is developed. It is based on the concept of a coherent solid-liquid interface with a transformation strain tensor, the deviatoric part of which is described by a thermodynamically consistent kinetic equation. Due to the relaxation of the elastic energy, a promoting contribution to the driving force for phase transformation in the GL equation appears, both for melting and solidification. Good agreement with known experiments is obtained for Al nanoparticles for the size-dependent melting temperature and temperature-dependent thickness of the surface molten layer. All types of interface stress distributions from known molecular dynamics simulations are obtained and interpreted. A similar approach can be applied for sublimation and condensation, amorphization and vitrification, diffusive transformations, and chemical reactions.
机译:开发了一种先进的Ginzburg-Landau(GL)熔化和固化方法,并结合了力学原理。它基于具有相变应变张量的相干固液界面的概念,其形变部分由热力学一致的动力学方程式描述。由于弹性能的松弛,对于GL方程中的相变驱动力,无论是熔化还是凝固,都有促进作用。对于Al纳米颗粒,表面熔融层的尺寸依赖性熔化温度和温度依赖性厚度与已知实验良好吻合。获得并解释了来自已知分子动力学模拟的所有类型的界面应力分布。可以将类似的方法用于升华和冷凝,非晶化和玻璃化,扩散转化以及化学反应。

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