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Article
Ions in liquid metal clusters
From the results of computer simulations, especially of 13-atom metal clusters by molecular dynamics, we derive a theory of the solid–liquid phase transition in metal clusters that connects to the jellium mode...
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Article
Energy landscapes: topographies, interparticle forces and dynamics, and how they are related
Many-body systems exhibit dynamic behavior ranging between two extremes that can be characterized as structure-seeking and glass-forming, when allowed to cool to a solid structure from a melt or high-energy ra...
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Article
Preface
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Article
Chaotic dynamics and vibrational mode coupling in small argon clusters
We have computed the local Kolmogorov entropy of molecular dynamics trajectory segments near the potential energy saddles of model Ar3 and Ar5 clusters. In the case of Ar3 clusters bound with a Lennard-Jones pote...
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Article
Clusters: A laboratory for studying chaos and ergodicity
The dynamics of clusters are revealed, in part, by the extent and nature of their chaotic and ergodic behavior. Conversely, small clusters offer opportunities to study the origins and evolution of chaotic and ...
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Article
Noble gas clusters in model zeolite cavities
Noble gas atoms trapped in the intracrystalline cavities of zeolites may form clusters. A classical-mechanical isoenergetic molecular dynamics simulation is performed to simulate the dynamical behavior of nobl...
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Article
The possibilities for glassy clusters: (KCl)32
The (KCl)32 cluster is used as a model system to study the possibilities for clusters to exhibit amorphous or glassy solid forms. The problem has two aspects: first, whether the potential surface of the cluster s...
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Article
Isomers of (LiBr) n n=4,5,8 and their interconversion
The structure and long-time dynamics of (LiBr) n n=4,5,8 were studied by optimization and molecular dynamics. The ring structure, double ring stack for (LiBr)8, was found to be ...