论文标题

小小变的群集和空缺的平衡返回时间

Equilibrium return times of small fluctuating clusters and vacancies

论文作者

Boccardo, Francesco, Benamara, Younes, Pierre-Louis, Olivier

论文摘要

在热力学平衡中研究了一个波动二维群集或空位的预期返回时间。我们定义了一个保留颗粒数量的粘结模型家族。该家族包括边缘扩散和表面扩散在空位中的空缺,在快速颗粒扩散和缓慢的附着动力学的极限下。在这些断开键模的模型的框架内,发现预期的返回时间取决于配置的能量以及通过从群集中去除单个粒子而形成的激发态的能量。研究高温和低温方案。我们阐明返回时间是温度的非单调函数的条件:当通过其附着概率加权加权的配置的平均值所获得的能量低于所有状态下平均的能量时,发现了最小值。此外,我们表明,与平衡概率最大的温度相比,最小返回时间最小的最佳温度转移到了较高的温度。这种转移受群集边缘的平均曲率影响,因此空缺更大。

The expected return time of a fluctuating two-dimensional cluster or vacancy to a given configuration is studied in thermodynamic equilibrium. We define a family of bond-breaking models that preserve the number of particles. This family includes edge diffusion and surface diffusion inside vacancies in the limit of fast particle diffusion and slow attachment-detachment kinetics. Within the frame of these bond-breaking models, the expected return time is found to depend on the energies of the configurations and on the energies of the excited states formed by removing a single particle from the cluster. High and low temperature regimes are studied. We clarify the conditions under which the return time is a non-monotonous function of temperature: a minimum is found when the energy obtained by the average over the excited states of the configuration weighted by their attachment probabilities is lower than the energy averaged over all states. In addition, we show that the optimal temperature at which the return time is minimum is shifted to a higher temperature as compared to the temperature at which the equilibrium probability is maximum. This shift is influenced by the average curvature of the cluster edge, and is therefore larger for vacancies.

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