Formulas for one-dimensional local properties for molecular-dynamics simulations of shock waves
Description:
Formulas are derived for the mass, momentum, and energy densities, the xx component of the pressure tensor P/sup xx/, and the x component of the heat flux Q/sup x/. The formulas relate these local properties to the masses, positions, and velocities of the constituent particles making up the system and are in a usable form for molecular-dynamics simulations without approximation. The formulas for P/sup xx/ and Q/sup x/ avoid the infinite series found in the formulas of Irving and Kirkwood.
Date:
January 8, 1981
Creator:
Hardy, R.J.
Item Type:
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Partner:
UNT Libraries Government Documents Department