Nonlinear Stresses and Temperatures in Transient Adiabatic and Shear Flows via Nonequilibrium Molecular Dynamics -- Three Definitions of Temperature

摘要

We compare nonlinear stresses and temperatures for adiabatic shear flows,using up to 262,144 particles, with those from corresponding homogeneous andinhomogeneous flows. Two varieties of kinetic temperature tensors are comparedto the configurational temperatures. This comparison leads to an improved formfor the local and instantaneous smooth-particle averaged stream velocity and toa recognition of rotational contributions to the configurational temperature.