Simulation on the Dynamic Process of Formation of Particle Cluster by Generalized Exponential Model

被引：1
|
作者：
Ma Lan [1 ,2 ]
Rong Jingling [1 ,2 ]
Zhu Youliang [2 ]
Huang Yineng [1 ,3 ]
Sun Zhaoyan [1 ,2 ]
机构：
[1] Coll Phys Sci & Technol, Xinjiang Lab Phase Transit & Microstruct Condense, Yining 835000, Peoples R China
[2] Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Polymer Phys & Chem, Changchun 130022, Jilin, Peoples R China
[3] Nanjing Univ, Sch Phys, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China
来源：
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE | 2019年 / 40卷 / 01期
基金：
中国国家自然科学基金;
关键词：
Soft particle cluster crystal; Molecular dynamics simulation; Generalized exponential model function; Face-centered cubic; Body-centered cubic; POTENTIALS;
D O I：
10.7503/cjcu20180323
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
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 thermodynamic-path 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.
引用
收藏
页码：195 / 200
页数：6
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