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Reactive flux theory for finite potential barriers
Physical Review E ( IF 2.4 ) Pub Date : 2021-04-30 , DOI: 10.1103/physreve.103.042144
Zhan-Wu Bai

Motivated by developing a simple, accurate, and widely applicable approach to incorporate the finite barrier correction in analytical calculation of the escape rate, the reactive flux theory for finite barriers is proposed. For higher temperatures, instead of at the top of the barrier in the original reactive flux theory, the starting point of the trajectories of Brownian particles is removed into a position inside the potential well where the probability distribution can be regarded as an equilibrium one, and the potential barrier is replaced with an equivalent parabolic potential barrier. The equivalent potential barrier frequency can be obtained by two schemes. The population is also calculated more realistically for finite barriers. The theoretical method is tested by a Brownian particle moving in a cubic metastable potential and subjected to Gaussian white noise. The numerical simulation results confirm the approach satisfactorily until lower reduced barrier heights.

中文翻译:

有限势垒的反应磁通理论

通过开发一种简单,准确且可广泛应用的方法,将有限势垒校正纳入逃逸率的分析计算中,提出了有限势垒的无功通量理论。对于更高的温度,布朗粒子轨迹的起始点被移到势阱内部的某个位置,在该位置概率分布可以看作是平衡的,而不是原始的反应通量理论中的障碍的顶部,并且势垒被等效的抛物线势垒代替。等效势垒频率可以通过两种方案获得。还可以更实际地计算有限障碍的人口。通过在立方亚稳态势中移动并受到高斯白噪声的布朗粒子测试了该理论方法。数值模拟结果令人满意地证实了该方法,直到降低的降低的势垒高度为止。
更新日期:2021-04-30
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