The possibility of applying the molecular dynamics method to the problems of nanomechanics and continuum mechanics is considered. The characteristics of this method as an approach for calculation of discrete properties of a system composed of interacting atom and molecules are studied. Using ensemble averages for the calculated phase trajectories of atoms or molecules allows us to determine required thermo-mechanical characteristics which ordinary can be specified in an experiment and employed for closing of continuum mechanics equations. The peculiarities arising when solving nanomechanics problems and with a transfer of these results to continuum mechanics problems are demonstrated on several examples.
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