COLLISIONAL DYNAMICS OF C-60 WITH NOBLE-GAS-ATOMS STUDIED BY MOLECULAR-DYNAMICS WITH EMPIRICAL 2-BODY AND 3-BODY FORCES

被引:38
作者
EHLICH, R
CAMPBELL, EEB
KNOSPE, O
SCHMIDT, R
机构
[1] MAX BORN INST,D-12474 BERLIN,GERMANY
[2] TECH UNIV DRESDEN,INST THEORET PHYS,D-01062 DRESDEN,GERMANY
来源
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1993年 / 28卷 / 02期
关键词
D O I
10.1007/BF01436983
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
The dynamics of C60-rare gas collisions is studied using molecular dynamics with empirical two- and three-body forces. The carbon potential is chosen to be able to reproduce the experimentally determined bond lengths and cluster radius of C60 as well as the structure of small carbon clusters. The reaction channels observed can be divided into four categories: deep inelastic scattering, fragmentation, capture and inelastic scattering. The temperature dependence of the threshold energy for capture is studied and compared with available experimental data. The calculations predict a maximum, in the lowest tail of the kinetic-energy distribution of the projectile with a transition from a single- to a double-humped maximum with increasing collision energy and, in addition, may provide a natural interpretation for the, as yet unexplained, structure in the experimental shapes.
引用
收藏
页码:153 / 161
页数:9
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