IMECH-IR  > 国家微重力实验室
Polymorph selection and nucleation pathway in the crystallization of Hertzian spheres
欧阳文泽; Fu CL; Sun ZW(孙祉伟); Xu SH(徐升华); Ouyang, WZ (reprint author), Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Natl Micrograv Lab, Beijing 100190, Peoples R China.
Source PublicationPHYSICAL REVIEW E
2016-10-17
Volume94Issue:4Pages:42805
ISSN2470-0045
AbstractThe crystallization process of Hertzian spheres is studied by means of molecular dynamics simulations in an NPT ensemble where the total number of particles N, the pressure P, and the temperature T are kept constant. It has been observed that the bond orientational ordering rather than the translational ordering (density) plays a primary role. The crystal polymorphs are determined by the state points. Under the conditions of small supercooling, the system is likely to be nucleated into crystals that have a preference for the metastable bcc structure, which can be regarded as a manifestation of the Alexander-McTague mechanism. In contrast, small nuclei are found to have a preference for fcc symmetry under conditions of a high degree of supercooling. Prestructured precursors that act as seeds and wet on the nuclei during nucleation always have a high degree of bcc-like ordering, despite different state points. The results above may provide a clue to the understanding of the crystallization process in core-softened particles.; The crystallization process of Hertzian spheres is studied by means of molecular dynamics simulations in an NPT ensemble where the total number of particles N, the pressure P, and the temperature T are kept constant. It has been observed that the bond orientational ordering rather than the translational ordering (density) plays a primary role. The crystal polymorphs are determined by the state points. Under the conditions of small supercooling, the system is likely to be nucleated into crystals that have a preference for the metastable bcc structure, which can be regarded as a manifestation of the Alexander-McTague mechanism. In contrast, small nuclei are found to have a preference for fcc symmetry under conditions of a high degree of supercooling. Prestructured precursors that act as seeds and wet on the nuclei during nucleation always have a high degree of bcc-like ordering, despite different state points. The results above may provide a clue to the understanding of the crystallization process in core-softened particles.
DOI10.1103/PhysRevE.94.042805
URL查看原文
Indexed BySCI ; EI
Language英语
WOS IDWOS:000386385900009
WOS KeywordBOND-ORIENTATIONAL ORDER ; CRYSTAL NUCLEATION ; MOLECULAR-DYNAMICS ; GLASS-TRANSITION ; LIQUIDS ; SURFACE ; MECHANISM ; COLLOIDS ; NUCLEUS ; PHASE
WOS Research AreaPhysics
WOS SubjectPhysics, Fluids & Plasmas ; Physics, Mathematical
Funding OrganizationNational Natural Science Foundation of China(11572322 ; 11172302 ; 11032011)
DepartmentNML复杂流体
Classification一类
RankingTrue
Citation statistics
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/59697
Collection国家微重力实验室
Corresponding AuthorOuyang, WZ (reprint author), Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Natl Micrograv Lab, Beijing 100190, Peoples R China.
Recommended Citation
GB/T 7714
欧阳文泽,Fu CL,Sun ZW,et al. Polymorph selection and nucleation pathway in the crystallization of Hertzian spheres[J]. PHYSICAL REVIEW E,2016,94(4):42805.
APA 欧阳文泽,Fu CL,孙祉伟,徐升华,&Ouyang, WZ .(2016).Polymorph selection and nucleation pathway in the crystallization of Hertzian spheres.PHYSICAL REVIEW E,94(4),42805.
MLA 欧阳文泽,et al."Polymorph selection and nucleation pathway in the crystallization of Hertzian spheres".PHYSICAL REVIEW E 94.4(2016):42805.
Files in This Item: Download All
File Name/Size DocType Version Access License
a2016-151.pdf(1927KB)期刊论文作者接受稿开放获取CC BY-NC-SAView Download
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[欧阳文泽]'s Articles
[Fu CL]'s Articles
[孙祉伟]'s Articles
Baidu academic
Similar articles in Baidu academic
[欧阳文泽]'s Articles
[Fu CL]'s Articles
[孙祉伟]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[欧阳文泽]'s Articles
[Fu CL]'s Articles
[孙祉伟]'s Articles
Terms of Use
No data!
Social Bookmark/Share
File name: a2016-151.pdf
Format: Adobe PDF
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.