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首页> 外文期刊>The Journal of Chemical Physics >Interplay of fast and slow dynamics in rare transition pathways: The disk-to-slab transition in the 2d Ising model
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Interplay of fast and slow dynamics in rare transition pathways: The disk-to-slab transition in the 2d Ising model

机译：罕见过渡途径中快速和慢速动态的相互作用：2D ising模型中的磁盘到板式过渡

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Rare transitions between long-lived stable states are often analyzed in terms of free energy landscapes computed as functions of a few collective variables. Here, using transitions between geometric phases as example, we demonstrate that the effective dynamics of a system along these variables are an essential ingredient in the description of rare events and that the static perspective provided by the free energy alone may be misleading. In particular, we investigate the disk-to-slab transition in the two-dimensional Ising model starting with a calculation of a two-dimensional free energy landscape and the distribution of committor probabilities. While at first sight it appears that the committor is incompatible with the free energy, they can be reconciled with each other using a two-dimensional Smoluchowski equation that combines the free energy landscape with state dependent diffusion coefficients. These results illustrate that dynamical information is not only required to calculate rate constants but that neglecting dynamics may also lead to an inaccurate understanding of the mechanism of a given process. Published by AIP Publishing.
机译：长期稳定状态之间的罕见过渡通常在计算为几个集体变量的功能的自由能景观方面进行分析。这里，在几何相之间的转变为例，我们证明沿着这些变量的系统的有效动态是在罕见事件的描述中的基本成分，并且仅通过自由能量提供的静态观点可能是误导性的。特别是，我们研究了二维读取模型中的磁盘到板式转变，从计算二维自由能量景观和分布概率的计算。虽然乍一看看来，提交者与自由能不兼容，但是可以使用二维Smoluchowski方程来彼此协调，其与状态相关的扩散系数结合起来的自由能量景观。这些结果说明了动态信息不仅需要计算速率常数，而且忽略动态也可能导致对给定过程的机制不准确的理解。通过AIP发布发布。

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