1PA08 Frank弾性定数の分子動力学シミュレーション

抄録

Frank elastic constants of some cyano-phenylcyclohexanes with different alkyl chain length (PCH-n) were calculated by using an atomistic-level molecular dynamics simulation. A good correlation was found between measured and simulated values in the absolute scale as well as in the dependence of alkyl chain length (even-odd effect).