Naphthalene crystal shape prediction from molecular dynamics simulations

We used molecular dynamics simulations to predict the steady state crystal shape of naphthalene grown from ethanol solution. The simulations were performed at constant...

本研究采用分子动力学模拟（molecular dynamics simulations），预测了从乙醇溶液中生长的萘的稳态晶体形貌。相关模拟在恒……条件下开展。