使用粒子形状来控制球形接口上的合晶体中的缺陷
Gabrielle N Jones1, Philipp W A Schönhöfer1, Sharon C Glotzer1,2
1Department of Chemical Engineering, University of Michigan, Ann Arbor, MI, USA. sglotzer@umich.edu.
球体表面上的体粒子形成有缺陷的有序结构. 粒子形状控制缺陷类型和分布,使可编程缺陷生成用于诸如囊泡曲等应用.
科学领域:
- 合体和表面科学科学
- 计算物理 计算物理
- 材料科学 材料科学 材料科学
背景情况:
- 在球体表面上密集的球形粒子被格子和拓约束所限制,导致缺陷.
- 了解缺陷结构对于控制体组合特性至关重要.
研究的目的:
- 研究粒子形状异构和格子偏好对局限于球体的合体组件中缺陷结构的影响.
- 确定缺陷分布如何随着粒子形状的持续变化而变化.
主要方法:
- 使用硬粒子蒙特卡洛模拟.
- 模拟硬圆形多面体的合体组件,限制在一个封闭的球面上.
- 分析了缺陷结构及其分布.
主要成果:
- 立方体粒子形成一个方形组件,克服不兼容性,并均地分配三倍缺陷.
- 从立方体到球体的粒子形状变化改变了缺陷分布对称性,从方形反 prismatic 到 icosahedral.
- 圆形四面体在三,四,六倍对称格子中表现出各种缺陷模式.
结论:
- 粒子形状异质性和晶格偏好显著影响在封闭的合体系统中缺陷的形成和分布.
- 可编程缺陷生成可以通过控制粒子形状来实现.
- 这些发现对使用状颗粒乳液的囊泡曲模式有影响.
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