Polymorph selection and nucleation pathway in the crystallization of Hertzian spheres
文献类型：期刊论文
| 作者 | 欧阳文泽 ; Fu CL; Sun ZW(孙祉伟); Xu SH(徐升华)
|
| 刊名 | PHYSICAL REVIEW E
 |
| 出版日期 | 2016 |
| 卷号 | 94期号:4页码:42805 |
| 通讯作者邮箱 | oywz@imech.ac.cn ; xush@imech.ac.cn |
| ISSN号 | 2470-0045 |
| 产权排序 | [Ouyang, Wenze; Sun, Zhiwei; Xu, Shenghua] Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Natl Micrograv Lab, Beijing 100190, Peoples R China; [Fu, Cuiliu] Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Polymer Phys & Chem, Changchun 130022, Peoples R China; [Xu, Shenghua] Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China |
| 通讯作者 | Ouyang, WZ (reprint author), Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Natl Micrograv Lab, Beijing 100190, Peoples R China. |
| 中文摘要 | 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. |
| 分类号 | 一类 |
| 类目[WOS] | Physics, Fluids & Plasmas ; Physics, Mathematical |
| 研究领域[WOS] | Physics |
| 收录类别 | SCI ; EI |
| 原文出处 | http://dx.doi.org/10.1103/PhysRevE.94.042805 |
| 语种 | 英语 |
| WOS记录号 | WOS:000386385900009 |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/59697]  |
| 专题 | 力学研究所_国家微重力实验室 |
| 推荐引用方式 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.(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. |
入库方式： OAI收割
来源：力学研究所
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