24aB4 繰り込みポテンシャルを用いた格子モデルによる相転移の研究(バルク成長VII)

抄録

Monte Carlo simulation (MC) and cluster variation method (CVM) based on lattice-gas models are carried out to study phase transition. To study actual systems as quantitatively as possible, molecular dynamics (MD) potentials are mapped onto lattice-gas models by using the potential renormalization technique proposed by Ohno. We find that the linear expansion coefficient of perfect crystals and the transition temperatures are greatly improved when compared with the case of using the MD potential directly on the lattice.