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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); 欧阳文泽; Xu SH(徐升华)
Source PublicationJOURNAL OF CHEMICAL PHYSICS
2018-05-07
Volume148Issue:17
ISSN0021-9606
Abstract

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
Indexed BySCI ; EI
Language英语
WOS IDWOS:000431685500027
WOS KeywordGAUSSIAN CORE MODEL ; POLYMORPH SELECTION ; CRYSTALLIZATION ; SIMULATION ; MECHANISM ; NUCLEUS ; SURFACE ; LIQUID ; SYSTEM ; ATOMS
WOS Research AreaChemistry ; Physics
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
Funding OrganizationNational Natural Science Foundation of China(11572322 ; 11172302 ; 11672295)
Classification二类
Ranking1
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/77466
Collection国家微重力实验室
Recommended Citation
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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