Theory of classical diffusion jumps in solids.
Theory of classical diffusion jumps in solids.
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固体中的经典扩散跳跃理论。
DOI：
10.1103/physrevb.32.2082
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发表时间：
1985
期刊：
影响因子：
--
通讯作者：
Flynn
中科院分区：
文献类型：
--
作者：
Toller;Jacucci;DeLorenzi;Flynn
制定了经典固体中原子跳跃过程的全面新理论。利用动力系统相空间中出现的不变流形的性质，短期记忆首次被纳入理论中。结果类似于速率理论，其增强方式是在短记忆治疗中可以正确分配快速动态波动的命运。对于单个势垒，可以将平衡跳跃率表示为两个配分函数的比率，如在更简单的理论中一样。相空间中的中心流形取代了构型空间中的鞍形表面，作为可以识别成功跳跃的几何标准。我们提供显式计算来比较跳跃率和通过使用几种替代跳跃模型获得的质量依赖性。
A comprehensive new theory of atomic jump processes in classical solids is formulated. Short-term memory is incorporated into the theory for the first time, using properties of the invariant manifolds which occur in the phase spaces of dynamical systems. The results resemble rate theory augmented in such a way that the fate of rapid dynamical fluctuations can be assigned correctly, within the short-memory treatment. For a single barrier it is possible to express the equilibrium jump rate as a ratio of two partition functions, as in simpler theories. The center manifold in phase space replaces the saddle surface in configuration space as the geometrical criterion by which successful jumps can be identified. We provide explicit calculations to compare the jump rates and the mass dependences obtained by use of several alternative jump models.