Barrier recrossing in surface diffusion: A phase-space perspective
Year: 1989
Type: article
Abstract: The surface diffusion of helium on the (001) face of a xenon crystal is investigated from a classical phase-space point of view. An analysis of two- and three-dimensional model systems reveals that the overlap of turnstiles leads to trajectories that recross the conventional transition-state surface. For the first time, true three-degree-of-freedom turnstile overlap is calculated and compared with that of the two-dimensional model. We find that, though qualitatively correct, the two-degree-of-freedom model tends to overestimate the importance of recrossing. Techniques of computation are also discussed.
Source: Chemical Physics Letters
Authors: Richard E. Gillilan, William P. Reinhardt
Institution: University of Pennsylvania
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $3,270
OpenAlex ID: W2071112480