Thermal fluctuations of clusters with the long-range interaction

被引:3
|
作者
Zhukhovitskii, D. I. [1 ]
机构
[1] Russian Acad Sci, Joint Inst High Temp, Moscow 125412, Russia
来源
JOURNAL OF CHEMICAL PHYSICS | 2011年 / 135卷 / 04期
关键词
Lennard-Jones potential; molecular clusters; molecular dynamics method; surface tension; MOLECULAR-DYNAMICS SIMULATIONS; SURFACE-TENSION; VAPOR; INTERFACE; DROPLET; PROFILE;
D O I
10.1063/1.3615529
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Analysis of surface fluctuation spectra is performed for a large cluster of particles interacting via a sum of the short-range Lennard-Jones potential and long-range +/- 1/r potential, where the positive sign corresponds to the gravity, and negative corresponds to the electrostatic interaction. The spectral amplitudes of thermally driven capillary modes in a self-consistent field induced by cluster particles including the modes with no axial symmetry are derived in the approximation of small amplitudes. It is demonstrated that within used approximation, the surface tension is independent of the field strength. The low wave vector amplitudes are damped by attracting field that compresses the cluster and magnified by repulsing field leading to cluster fission. The fission threshold is found to be different from that found by Bohr and Wheeler and Frenkel due to the replacement of the ordinary surface tension by the bare one. Molecular dynamics study of a cluster with the long-range interaction in the vapor environment is performed using a novel integrator for a multiscale system. Simulation scheme implies rotation of the long-range components of forces acting on cluster particles thus vanishing an artificial torque. Simulation results justify theoretical conclusion of modes damping and independence of the surface tension of the field strength. Fission threshold evaluated from simulation data is in a good agreement with theory. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3615529]
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页数:14
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