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Nucleation: free energy of small clusters

机译:成核:小团簇的自由能

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摘要

Recent theoretical developments ofcrystal nucleation are critically reviewed with theemphasis placed on modelling the properties of smallclusters. Predictions for the size and temperaturedependence of the interfacial free energy byphenomenological and density-functional theories arediscussed in the light of experiments and computersimulations. Various models suggest an absoluteinstability of the undercooled liquid far below themelting point and of the superheated crystal far abovethe melting point. The experiments and computersimulations are consistent with this picture.
机译:对晶体成核的最新理论进展进行了严格审查,重点放在对小团簇的特性建模上。根据现象学和密度泛函理论,讨论了通过现象学和密度泛函理论对界面自由能的大小和温度依赖性的预测。各种模型表明,过冷液体的绝对不稳定性远低于熔点,而过热晶体的绝对不稳定性却远高于熔点。实验和计算机仿真与该图片一致。

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