Energy Redistribution and Cluster Stability
The stability of small molecular clusters is not independent of the rate or the mode of energy transfer to the cluster. Either can lead to structure disruption at total energies at which the cluster would otherwise be stable. Molecular dynamics calculations are used to monitor the changes in cluster structure as energy is added or removed from the system. The energy was added in different ways in the attempt to simulate: 1) an isolated collision, 2) interaction with a bath at a temperature different from that of the cluster and 3) a transition to a single excited vibrational state. The clusters used in these experiments were water clusters containing from three to twenty molecules. The potential used was the central force pair potential proposed by Stillinger and Rahman.
KeywordsInteraction Energy Impact Parameter Structure Disruption Water Cluster Molecular Dynamic Calculation
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