Evaporation of Lennard-Jones clusters |
| |
Authors: | C. E. Román I. L. Garzón |
| |
Affiliation: | 1. Instituto de Física, Universidad Nacional Autónoma de México, Apartado Postal 2681, 22800, Ensenada, Baja California, México
|
| |
Abstract: | Extensive molecular dynamics simulations have been done to study the evaporation of a 13-atom Lennard-Jones cluster. The survival probability and the evaporative lifetime are calculated as a function of the cluster total energy from a classical trajectory analysis. The results are interpreted in terms of the RRK theory of unimolecular dissociation. The calculation of the binding energy of the evaporated species from the evaporation rate and the average kinetic energy release is discussed. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|