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Ground-State Clusters for Short-Range Attractive and Long-Range Repulsive Potentials

机译:短程吸引和远程排斥势的基态簇

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We report calculations of the ground-state energies and geometries for clusters of different sizes(up to 80 particles),where individual particles interact simultaneously via a short-ranged attractive potential,modeled with a generalization of the Lennard-Jones potential,and a long-ranged repulsive Yukawa potential.We show that for specific choices of the parameters of the repulsive potential,the ground-state energy per particle has a minimum at a finite cluster size.For these values of the parameters in the thermodynamic limit,at low temperatures and small packing fractions,where clustering is favored and cluster-cluster interactions can be neglected,thermodynamically stable cluster phases can be formed.The analysis of the ground-state geometries shows that the spherical shape is marginally stable.In the majority of the studied cases,we find that above a certain size,ground-state clusters preferentially grow almost in one dimension.
机译:我们报告了不同大小(最多80个粒子)的团簇的基态能量和几何结构的计算,其中单个粒子通过短时吸引势同时相互作用,并以Lennard-Jones势的推广为模型。范围的排斥汤河势。我们表明,对于排斥势参数的特定选择,在有限的团簇尺寸下,每个粒子的基态能量最小。对于这些参数值,在低温下热力学极限在较小的堆积分数下,有利于聚类并且可以忽略聚类-聚类相互作用,可以形成热力学稳定的聚类相。对基态几何形状的分析表明,球形是边缘稳定的。 ,我们发现,在一定大小以上时,基态簇优先在几乎一维上生长。

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