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Chapter
Structural Transition from Small Clusters to Bulk-like Structures
The structural transitions of LiN, BeN, and BN clusters toward the bulk-like structures have been systematically studied using ab initio molecular dynamics simulations. Lithium clusters become close-packed struct...
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Article
Structure and dynamics of Lennard-Jones clusters with impurities
Molecular dynamics simulations and Lennard-Jones potentials have been used to study binary mixed clusters. The low temperature structures, impurity solvation and the melting and freezing transitions for differ...
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Chapter and Conference Paper
Structure and dynamics of Lennard-Jones clusters with impurities
Molecular dynamics simulations and Lennard-Jones potentials have been used to study binary mixed clusters. The low temperature structures, impurity solvation and the melting and freezing transitions for differ...