Polymorph selection in the crystallization of hard-core Yukawa system
文献类型：期刊论文
| 作者 | 欧阳文泽 ; Sun ZW(孙祉伟); Zhong J; Zhou HW(周宏伟); Xu SH(徐升华); Ouyang, WZ
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| 刊名 | SCIENCE CHINA-CHEMISTRY
 |
| 出版日期 | 2016 |
| 卷号 | 59期号:3页码:316-323 |
| 通讯作者邮箱 | oywz@imech.ac.cn ; xush@imech.ac.cn |
| 关键词 | colloidal crystallization hard-core Yukawa model polymorph selection computer simulation |
| ISSN号 | 1674-7291 |
| 产权排序 | [Ouyang, Wenze; Sun, Zhiwei; Zhou, Hongwei; Xu, Shenghua] Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Beijing 100190, Peoples R China; [Zhong, Jun] North China Inst Aerosp Engn, Sch Mat Engn, Langfang 065000, Peoples R China; [Zhong, Jun] Chinese Acad Sci, Inst Mech, Opening Fund, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China |
| 通讯作者 | Ouyang, WZ ; Xu, SH (reprint author), Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Beijing 100190, Peoples R China. |
| 中文摘要 | 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. |
| 分类号 | 二类 |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | colloidal crystallization ; hard-core Yukawa model ; polymorph selection ; computer simulation |
| 收录类别 | SCI ; EI ; CSCD |
| 原文出处 | http://dx.doi.org/10.1007/s11426-015-5473-z |
| 语种 | 英语 |
| CSCD记录号 | CSCD:5643678 |
| WOS记录号 | WOS:000371314400010 |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/59577]  |
| 专题 | 力学研究所_国家微重力实验室 |
| 通讯作者 | Ouyang, WZ |
| 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. |
| APA | 欧阳文泽,孙祉伟,Zhong J,周宏伟,徐升华,&Ouyang, WZ.(2016).Polymorph selection in the crystallization of hard-core Yukawa system.SCIENCE CHINA-CHEMISTRY,59(3),316-323. |
| 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. |
入库方式： OAI收割
来源：力学研究所
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