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首页> 外文期刊>The Journal of Chemical Physics >Thermally activated escape rate for the Brownian motion of a fixed axis rotator in an asymmetrical double-well potential for all values of the dissipation - art. no. 094503
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Thermally activated escape rate for the Brownian motion of a fixed axis rotator in an asymmetrical double-well potential for all values of the dissipation - art. no. 094503

机译：对于所有耗散值，在不对称双阱势中，固定轴旋转器的布朗运动的热激活逸出率-art。art。没有。 094503

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摘要

The Kramers theory of the escape rate of a Brownian particle from a potential well as extended by Mel'nikov and Meshkov, [J. Chem. Phys. 85, 1018 (1986)] is used to evaluate the relaxation times and the dynamic susceptibility for the rotational Brownian motion of fixed axis rotators in an asymmetric double-well potential. An expression for the escape rate valid for all values of the dissipation including the very low damping (VLD), very high damping (VHD), and crossover regimes is derived. It is shown that this expression provides a good asymptotic estimate of the inverse of the smallest nonvanishing eigenvalue lambda(1) of the underlying Fokker-Planck operator calculated by using the matrix-continued fraction method. For low barriers, where the Mel'nikov and Meshkov approach is not applicable, analytic equations for the correlation time tau(parallel to) of the longitudinal dipole correlation function in the VLD and VHD limits are derived and a simple extrapolating equation valid for all values of the damping is proposed. (C) 2005 American Institute of Physics.
机译：梅勒尼科夫（Mel'nikov）和麦可夫（Meshkov）扩展了布朗粒子从势阱中逸出速率的Kramers理论，[J。化学物理85，1018（1986）]用于评估在不对称双阱势中固定轴旋转器的布朗运动的弛豫时间和动态磁化率。导出了对所有耗散值有效的逃逸率表达式，包括非常低的阻尼（VLD），非常高的阻尼（VHD）和交叉状态。结果表明，该表达式为使用矩阵连续分数法计算的底层Fokker-Planck算子的最小无消失特征值lambda（1）的逆提供了良好的渐近估计。对于不适用Mel'nikov和Meshkov方法的低势垒，推导了VLD和VHD极限中纵向偶极子相关函数的相关时间tau（平行）的解析方程，并且一个简单的外推方程对所有值均有效建议的阻尼。 （C）2005美国物理研究所。

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