Physical states kinetic-molecular view

Molecular dynamics methods afford a unique view of the dynamical feature of non-equilibrium systems as well as the ability to obtain a wide variety of data of physical/chemical properties. We have used this approach to model the equilibrium and kinetic properties of silicon nanoparticles containing up to 1000 atoms (16,17). However for such an analysis to yield even semi-quantitative results requires a knowledge of the interaction potential. For a system as complicated as the one under consideration here, interatomic potentials are beyond the scope of current state of the art. However, one can still, under certain circumstances obtain qualitative information. 

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