Crystal nucleation and metastable bcc phase in charged colloids: A molecular dynamics study | |
Ji XQ(纪鑫强); Sun ZW(孙祉伟); 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 |
ISSN | 0021-9606 |
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. |
DOI | 10.1063/1.5016235 |
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 | |
文献类型 | 期刊论文 |
条目标识符 | http://dspace.imech.ac.cn/handle/311007/77466 |
专题 | 微重力重点实验室 |
推荐引用方式 GB/T 7714 | Ji XQ,Sun ZW,欧阳文泽,et al. Crystal nucleation and metastable bcc phase in charged colloids: A molecular dynamics study[J]. JOURNAL OF CHEMICAL PHYSICS,2018,148,17,. |
APA | 纪鑫强,孙祉伟,欧阳文泽,&徐升华.(2018).Crystal nucleation and metastable bcc phase in charged colloids: A molecular dynamics study.JOURNAL OF CHEMICAL PHYSICS,148(17). |
MLA | 纪鑫强,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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