Determination of the three-dimensional diffusion optimal path

Jing Wang, Chunyang Wang, Lidong Xiao, Haijun Ma, Panpan Zhang, Yue Li, Zhaopeng Sun, Yuliang Xu, Xiangmu Kong, Ming Qin, Danhua Shangguan and Ming Yi

Physica A: Statistical Mechanics and its Applications, 2022, vol. 588, issue C

Abstract: The diffusion of passing over the saddle point of a three-dimensional quadric potential energy surface was studied by analytically solving a set of coupled generalized Langevin equations. An accurate expression of the passing probability was obtained. The effect of the coupling between different degrees of freedom which is represented by the off-diagonal elements of the inertia, friction and potential-curvature tensors was analyzed in detail. It is found that some of the coupling have great influence on the diffusion process, while others not. The combination of them results in an optimal injecting direction of the diffusing particles, revealing an optimal three-dimensional diffusion path.

Keywords: Diffusion; Three-dimensional; Langevin equation; Passing probability (search for similar items in EconPapers)
Date: 2022
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://www.sciencedirect.com/science/article/pii/S0378437121008451
Full text for ScienceDirect subscribers only. Journal offers the option of making the article available online on Science direct for a fee of $3,000

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:588:y:2022:i:c:s0378437121008451

DOI: 10.1016/j.physa.2021.126572

Access Statistics for this article

Physica A: Statistical Mechanics and its Applications is currently edited by K. A. Dawson, J. O. Indekeu, H.E. Stanley and C. Tsallis

More articles in Physica A: Statistical Mechanics and its Applications from Elsevier
Bibliographic data for series maintained by Catherine Liu ().