MOLECULAR-DYNAMICS COMPUTER-SIMULATION OF ALUMINUM CLUSTERS (ALN N = 3 TO 55) - EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION CALCULATION

被引：24

作者：

ELBAYYARI, Z

ERKOC, S

机构：

[1] Department of Physics, Middle East Technical University, Ankara

来源：

PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1992年 / 170卷 / 01期

关键词：

D O I：

10.1002/pssb.2221700112

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The structural stability and energetics of Al(n)(n = 3 to 55) clusters are investigated by using a recently developed empirical many-body potential energy function which contains two- and three-body atomic interactions. Molecular-dynamics technique is employed in the simulation. It is found that the energetically most stable structures of aluminum clusters are in compact distorted buckled form.

引用

页码：103 / 111

页数：9

共 25 条

[1]

[Anonymous], 1979, ADV CHEM PHYS, DOI DOI 10.1002/9780470142592.CH2

[2] THE ELECTRONIC STATES OF AL-3 [J].