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首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Peculiarities of the Mean Transition Path Time Dependence on the Barrier Height in Entropy Potentials
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Peculiarities of the Mean Transition Path Time Dependence on the Barrier Height in Entropy Potentials

机译:平均过渡路径时间依赖于熵电位势垒高度的特性

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A transition path is a part of a one-dimensional trajectory of a diffusing particle, which starts from point a and is terminated as soon as it comes to point b for the first time. It is the trajectory's final segment that leaves point a and goes to point b without returning to point a. The duration of this segment is called transition path time or, alternatively, direct transit time. We study the mean transition path time in monotonically increasing entropy potentials of the narrowing cones in spaces of different dimensions. We find that this time, normalized to its value in the absence of the potential, monotonically increases with the barrier height for the entropy potential of a narrowing two-dimensional cone, is independent of the barrier height for a narrowing three-dimensional cone, and monotonically decreases with the barrier height for narrowing cones in spaces of higher dimensions. Moreover, we show that as the barrier height tends to infinity, the normalized mean transition path time approaches its universal limiting value n/3, where n = 2, 3, 4, ... is the space dimension. This is in sharp contrast to the asymptotic behavior of this quantity in the case of a linear potential of mean force, for which it approaches zero in this limit.
机译:转换路径是漫射粒子的一维轨迹的一部分,其从点A开始,并且一旦它第一次到达B点就立即终止。它是轨迹的最终段,即留下一个点A并进入POINT B,而不返回点A.该段的持续时间被称为转换路径时间,或者可选地,直接传输时间。我们研究了在不同尺寸空间中狭窄锥体的单调增加熵电位的平均过渡路径时间。我们发现,在没有潜在的潜在潜在的情况下,归一化到其值的时间,用狭窄的二维锥体的熵电位单调增加,与缩小的三维锥体的屏障高度无关,并且单调地减小屏障高度,以在更高尺寸的空间中缩小锥体。此外,我们表明,随着屏障高度倾向于无穷大,归一化平均转换路径时间接近其通用限制值n / 3,其中n = 2,3,4,...是空间尺寸。这与该数量的渐近行为鲜明对比,在平均力的线性电位的情况下,在该限制中接近零。

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