硅原子集团结构的分子动力学研究
MOLECULAR-DYNAMICS STUDY ON SMALL SILICON CLUSTERS
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摘要: 文采用分子动力学方法和模拟退火技术,研究了硅原子集团零温和高温下的结构,结果与第一性原理的结果相符合。Abstract: By use of molecular-dynamics and simulated annealing technique, we have studied the structural properties of Sin cluster at zero and high temperature. The results are in good agreement with ab-initio calculations.