Simulation on the Dynamic Process of Formation of Particle Cluster by Generalized Exponential Model
作者：L. Ma, J. Rong, Y.-L. Zhu, Y. Huang, Z. Sun
關(guān)鍵字：Dynamic Process
論文來源：期刊
具體來源：高等學(xué)校化學(xué)學(xué)報, 2018, 40(1).
發(fā)表時間：2019年
The generalized exponential model was used to describe the interaction between soft colloidal particles. The dynamic process of structure formation and transformation was investigated by molecular dynamics simulations. The characteristics of the structural transformation and the influence of thermodynamicpath on the final formed structure of cluster crystal were studied for two thermodynamic paths, isothermal compression and equidensity cooling, respectively. Compared with Monte Carlo simulation results, the structure transitionin molecular dynamics simulation has obvious hysteresis on changing density, which is due to a high free energy barrier between fcc2 and fcc3 structures. In addition, the phase structure under the same temperature and pressure is not exactly same through different thermodynamic paths. It is concluded that the dynamic formation process has a great influence on phase structure.