| Template-induced crystallization of charged colloids: a molecular dynamics study | |
欧阳文泽 ; Zou SY(邹双阳); Zhong, Jun; Xu SH(徐升华)
| |
| Source Publication | SOFT MATTER
 |
| 2023-08-01 | |
| ISSN | 1744-683X |
| Abstract | By using a large enough number of particles and implementing a parallel algorithm on the CUDA platform, we have performed brute-force molecular dynamics simulations to study the template-induced heterogeneous crystallization in charged colloids. Six kinds of templates, whose patterns include the planes of fcc(100), fcc(110), fcc(111), bcc(100), bcc(110) and bcc(111), have been implanted into the middle of the simulation box. Except the fcc(111) template, whose structure benefits not only fcc but also hcp crystals resulting in a similar behavior to homogeneous crystallization, bcc-type templates favor the formation of bcc crystals and bcc-like precursors while fcc-type templates favor the formation of fcc crystals and fcc-like precursors. Therefore, for fcc(100) and fcc(110) templates, heterogeneous crystallization will definitely result in a fcc crystallite. However, the results of heterogeneous crystallization that are induced by bcc-type templates are subtly different at different state points. At the state points where the interaction strength of charged colloids is weak and the fcc phase is thermodynamically stable, the bcc crystals formed with the promotion of bcc-type templates are not stable so as to tend to transform into fcc or hcp crystals. When the interaction strength of charged colloids is high, the predominant bcc crystals formed with the promotion of bcc-type templates can always persist within the time scale of simulation although not bcc but fcc crystals are thermodynamically stable. |
| DOI | 10.1039/d3sm00872j |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:001045036800001 |
| WOS Research Area | Chemistry ; Materials Science ; Physics ; Polymer Science |
| WOS Subject | Chemistry, Physical ; Materials Science, Multidisciplinary ; Physics, Multidisciplinary ; Polymer Science |
| Funding Organization | National Natural Science Foundation of China [22172180, 22272191] |
| Classification | 二类 |
| Ranking | 1 |
| Contributor | Ouyang, WZ ; Xu, SH (corresponding author), Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Beijing, Peoples R China. ; Xu, SH (corresponding author), Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China. |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/92604 |
| Collection | 微重力重点实验室 |
| Affiliation | 1.{Ouyang, Wenze, Zou, Shuangyang, Xu, Shenghua} Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Beijing, Peoples R China 2.{Zhong, Jun} North China Inst Aerosp Engn, Coll Mat Engn, Langfang 065000, Peoples R China 3.{Xu, Shenghua} Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China |
| Recommended Citation GB/T 7714 | 欧阳文泽,Zou SY,Zhong, Jun,et al. Template-induced crystallization of charged colloids: a molecular dynamics study[J]. SOFT MATTER,2023.Rp_Au:Ouyang, WZ, Xu, SH (corresponding author), Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Beijing, Peoples R China., Xu, SH (corresponding author), Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China. |
| APA | 欧阳文泽,邹双阳,Zhong, Jun,&徐升华.(2023).Template-induced crystallization of charged colloids: a molecular dynamics study.SOFT MATTER. |
| MLA | 欧阳文泽,et al."Template-induced crystallization of charged colloids: a molecular dynamics study".SOFT MATTER (2023). |
| Files in This Item: | Download All | |||||
| File Name/Size | DocType | Version | Access | License | ||
| Jp2023Fa302.pdf（4419KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment