Abstract
Combining the solid status physics with solid mechanics, the lattice waves theory of molecular dynamics is proposed. A typical cubic element of 3 dimensional crystal with the periodic structure is considered, and the constitute response is studied with a finite temperature. Applying for the periodic boundary condition, the characteristic equation is set up, the natural frequencies of crystal and displacements of all atoms are obtained. The thermal stress is calculated. This theory overcomes the difficult of time scale and space scale of the classical molecular dynamics.
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