Template-induced crystallization of charged colloids: a molecular dynamics study

doi:10.1039/d3sm00872j

	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)
刊名	SOFT MATTER
	2023-08-01
ISSN号	1744-683X
DOI	10.1039/d3sm00872j
英文摘要	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.
分类号	二类
WOS研究方向	Chemistry ; Materials Science ; Physics ; Polymer Science
语种	英语
WOS记录号	WOS:001045036800001
资助机构	National Natural Science Foundation of China [22172180, 22272191]
其他责任者	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.
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/92604]
专题	力学研究所_国家微重力实验室
作者单位	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
推荐引用方式 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.
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).