3B08 剛体棒状分子系のケミカルポテンシャルのシミュレーションによる見積もり

抄録

The estimation of the chemical potential of the system of parallel hard spherocylinders was made with Monte Carlo (MC) simulation. The chemical potential was obtained as a logarithm of the insertion probability of a molecule. One type of gradual insertion method was tried to obtain reliable results for smectic-A phase at which the insertion probability of a whole molecule is so small that the direct insertion test does not give accurate estimation in realistic calculation time.