화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals, Vol.379, 501-506, 2002
Molecular dynamics simulation of metal oxides including Ag
AgPb6CO9 crystal has been simulated by means of molecular dynamics calculational method. A new simple interatomics potential model for this crystal was developed so that the crystal structure remans quite stable for all the simulation time steps. By analysis of the mean squared displacement, we studied the atomic motions in this crystal structure in detail.