Journal of Statistical Physics, Vol. 78, Nos. 1/2, 1995, p. 463-494.
Nonequilibrium molecular dynamics is used to compute the coupled heat and mass transport in a binary isotope mixture of particles interacting with a Lennard-Jones/spline potential. Two different stationary states are studied, one with a fixed internal energy flux and zero mass flux, and the other with a fixed diffusive mass flux and zero temperature gradient. Computations are made for one overall temperature, T= 2, and three overall number densities, n = 0.1, 0.2, and 0.4. (All numerical values are given in reduced, Lennard-Jones units unless otherwise stated.)...