抄録
We apply molecular dynamics simulation of Lennerd-Jones (LJ) system to compare the Isotropic periodic sum (IPS) method [Wu and Brooks, J. Chem. Phys. 122, 044107 (2005)] with the cutoff method for the dynamic properties, which are self diffusion coefficient, bulk viscosity, and thermal conductivity. When the cutoff distance of IPS method was more than 3, self diffusion coefficient was estimated with reasonable accuracy. We also calculated the bulk viscosity and thermal conductivity with reasonable accuracy for IPS method. These results show that IPS method is effective technique in the estimation of dynamic properties of LJ system.
