稀有气体小团簇研究

Small Rare-gas Clusters

原子团簇是几个至上千个原子组成的相对稳定的聚集体,其性质与单个原子、分子和大块固体均不相同,例如幻数和壳层结构、热力学效应等,正为物理、化学和材料科学共同关注。介绍形成团簇的实验质谱技术,结合Monte Carto方法模拟部分LJ团簇的结构,分析稀有气体团簇幻数规律和特性。

Atomic clusters are the aggregates of atoms in the size range from a few to thousands of the components. Their properties are neither like those for individual atoms nor the corresponding bulk, for instance, magic numbers and shell structures, thermodynamics effect, etc. They have brought great attentions among the scientists from physics, chemistry and materials science. In this article, we introduced cluster generation by mass spectrometer, then according to Monte Carlo methods, the structures of some Lennard-Jones （L,I） clusters was simulated, and many magic number properties of rare-gas clusters obtained from simulation studies, such as heat capacities, binding energies, root-mean-square （rms） bond length fluctuations and ＇also show very irregular.