Molecular Dynamics with Molecular Temperature
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A modeling and computation technique was developed to facilitate the molecular dynamics simulations of complex systems. The notion of an internal molecular temperature was introduced to describe the storage of energy within the molecules. The model allowed the incorporation of quantum statistical phenomena of the internal interactions satisfying the irreversibility of collision processes. The model was applied to the laser ablation of a two-dimensional submicrometer chlorobenzene particles.
author list (cited authors)
Phares, D. J., & Srinivasa, A. R.