| Polymorph selection in the crystallization of hard-core Yukawa system |
| 欧阳文泽 ; Sun ZW(孙祉伟); Zhong J; Zhou HW(周宏伟); Xu SH(徐升华); Ouyang, WZ; Xu, SH (reprint author), Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Beijing 100190, Peoples R China.
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| 发表期刊 | SCIENCE CHINA-CHEMISTRY
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| 2016
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| 卷号 | 59期号:3页码:316-323 |
| ISSN | 1674-7291
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| 摘要 | Colloid-colloid interactions in charge-stabilized dispersions can to some extent be represented by the hard-core Yukawa model. The crystallization process and polymorph selection of hard-core Yukawa model are studied by means of smart Monte Carlo simulations in the region of face-centered-cubic (fcc) phase. The contact value of hard-core Yukawa potential and the volume fraction of the colloids are fixed, while the Debye screening length can be varied. In the early stage of the crystallization, the precursors with relatively ordered liquid structure have been observed. Although the crystal structure of thermodynamically stable phase is fcc, the system crystallizes into a mixture of fcc and hexagonal close-packed (hcp) structures under small Debye screening length since the colloidal particles act as effective hard spheres. In the intermediate range of Debye screening length, the system crystallizes into a mixture of fcc, hcp, and body-centered-cubic (bcc). The existence of metastable hcp and bcc structures can be interpreted as a manifestation of the Ostwald's step rule. Until the Debye screening length is large enough, the crystal structure obtained is almost a complete fcc suggesting the system eventually reaches to a thermodynamically stable state. |
| 关键词 | Colloidal Crystallization
Hard-core Yukawa Model
Polymorph Selection
Computer Simulation
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| DOI | 10.1007/s11426-015-5473-z
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| URL | 查看原文
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| 收录类别 | SCI
; EI
; CSCD
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| 语种 | 英语
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| WOS记录号 | WOS:000371314400010
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| 关键词[WOS] | colloidal crystallization
; hard-core Yukawa model
; polymorph selection
; computer simulation
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| WOS研究方向 | Chemistry
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| WOS类目 | Chemistry, Multidisciplinary
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| 项目资助者 | This work was supported by the National Natural Science Foundation of China (11172302, 11302226, 10972217), and the Opening Fund of State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, China (LNM201503).
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| CSCD记录号 | CSCD:5643678
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| 课题组名称 | NML复杂流体
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| 论文分区 | 二类
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| 力学所作者排名 | True
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| 引用统计 |
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| 文献类型 | 期刊论文
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| 条目标识符 | http://dspace.imech.ac.cn/handle/311007/59577
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| 专题 | 微重力重点实验室
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| 通讯作者 | Ouyang, WZ; Xu, SH (reprint author), Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Beijing 100190, Peoples R China. |
推荐引用方式
GB/T 7714 |
欧阳文泽,Sun ZW,Zhong J,et al. Polymorph selection in the crystallization of hard-core Yukawa system[J]. SCIENCE CHINA-CHEMISTRY,2016,59,3,:316-323.
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| APA |
欧阳文泽.,孙祉伟.,Zhong J.,周宏伟.,徐升华.,...&Xu, SH .(2016).Polymorph selection in the crystallization of hard-core Yukawa system.SCIENCE CHINA-CHEMISTRY,59(3),316-323.
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| MLA |
欧阳文泽,et al."Polymorph selection in the crystallization of hard-core Yukawa system".SCIENCE CHINA-CHEMISTRY 59.3(2016):316-323.
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