论文标题
状态的配置密度和简单固体的熔化
Configurational density of states and melting of simple solids
论文作者
论文摘要
我们在从过热状态熔化的情况下，分析了微磁和规范曲线曲线的行为，用于简单固体状态的构型密度的分段模型，就像通过原子学分子动力学在Z-Method中实现的那样。与亚稳态区域的一阶相变相变为模型，因此可用于描述熔融跃迁的各个方面。在此模型中，呈现并通过数值求解了连接过热极限，熔点和比热的特定热量的先验方程。我们的结果表明，可以从状态的构型密度的简单建模中提取微型Z曲线的基本要素。
We analyze the behavior of the microcanonical and canonical caloric curves for a piecewise model of the configurational density of states of simple solids, in the context of melting from the superheated state, as realized numerically in the Z-method via atomistic molecular dynamics. A first-order phase transition with metastable regions is reproduced by the model, being therefore useful to describe aspects of the melting transition. Within this model, transcendental equations connecting the superheating limit, the melting point, and the specific heat of each phase are presented and numerically solved. Our results suggest that the essential elements of the microcanonical Z curves can be extracted from simple modeling of the configurational density of states.
