Molecular Dynamical Calculations of the Thermal Diffusivity of a Perfect Lattice
NATIONAL BUREAU OF STANDARDS GAITHERSBURG MD
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The method of molecular dynamics is used to make a detailed study of thermal diffusivity in a perfect monatomic lattice. The interatomic potential is that appropriate for iron. The atomic motions are limited to two dimensions in order to shorten the computation. One end of the lattice is maintained at a given kinetic temperature and obtain the temperature profile in the lattice as a function of time. The total energy added to the system is recorded. Diffusive curves are fit to the temperature profiles and thus obtain the thermal diffusivity of the lattice. Its value is .000004 sq msec at a mean lattice temperature of 75K.
- Solid State Physics