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Crystal nucleation and metastable bcc phase in charged colloids: A molecular dynamics study
Ji XQ(纪鑫强); Sun ZW(孙祉伟); Ouyang WZ(欧阳文泽); Xu SH(徐升华)
发表期刊JOURNAL OF CHEMICAL PHYSICS
2018-05-07
卷号148期号:17
ISSN0021-9606
摘要

The dynamic process of homogenous nucleation in charged colloids is investigated by brute-force molecular dynamics simulation. To check if the liquid-solid transition will pass through metastable bcc, simulations are performed at the state points that definitely lie in the phase region of thermo-dynamically stable fcc. The simulation results confirm that, in all of these cases, the preordered precursors, acting as the seeds of nucleation, always have predominant bcc symmetry consistent with Ostwald's step rule and the Alexander-McTague mechanism. However, the polymorph selection is not straightforward because the crystal structures formed are not often determined by the symmetry of intermediate precursors but have different characters under different state points. The region of the state point where bcc crystal structures of large enough size are formed during crystallization is narrow, which gives a reasonable explanation as to why the metastable bcc phase in charged colloidal suspensions is rarely detected in macroscopic experiments. Published by AIP Publishing.

DOI10.1063/1.5016235
收录类别SCI ; EI
语种英语
WOS记录号WOS:000431685500027
关键词[WOS]GAUSSIAN CORE MODEL ; POLYMORPH SELECTION ; CRYSTALLIZATION ; SIMULATION ; MECHANISM ; NUCLEUS ; SURFACE ; LIQUID ; SYSTEM ; ATOMS
WOS研究方向Chemistry ; Physics
WOS类目Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
项目资助者National Natural Science Foundation of China(11572322 ; 11172302 ; 11672295)
论文分区二类
力学所作者排名1
引用统计
被引频次:1[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://dspace.imech.ac.cn/handle/311007/77466
专题国家微重力实验室
推荐引用方式
GB/T 7714
Ji XQ,Sun ZW,Ouyang WZ,et al. Crystal nucleation and metastable bcc phase in charged colloids: A molecular dynamics study[J]. JOURNAL OF CHEMICAL PHYSICS,2018,148(17).
APA Ji XQ,Sun ZW,Ouyang WZ,&Xu SH.(2018).Crystal nucleation and metastable bcc phase in charged colloids: A molecular dynamics study.JOURNAL OF CHEMICAL PHYSICS,148(17).
MLA Ji XQ,et al."Crystal nucleation and metastable bcc phase in charged colloids: A molecular dynamics study".JOURNAL OF CHEMICAL PHYSICS 148.17(2018).
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