Journal of Chemical Physics, Vol.111, No.10, 4698-4703, 1999
Density, temperature, and bond-length dependence of dynamic friction on a molecular bond
We apply the theoretical formalism developed by us earlier [M. Vergeles and G. Szamel, J. Chem. Phys. 110, 6827 (1999)] to study density, temperature, and bond-length dependence of the dynamic friction on a molecular bond. We show that the theory reproduces all the trends seen in molecular dynamics (MD) simulations. The theoretical predictions agree reasonably well with the results of MD simulations except for very low densities or very short bond lengths.