Particle shape controlled complex crystals and their defects (B02)

颗粒形状控制的复杂晶体及其缺陷（B02）

• 批准号: 313423327
• 金额: --
• 依托单位: Arbeitsgruppe Theorie der weichen Materie
• 依托单位国家: 德国
• 项目类别: Collaborative Research Centres
• 财政年份: 2016
• 资助国家: 德国
• 起止时间: 2015-12-31 至 2020-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/313423327?language=en
• 关键词: Particle; shape; controlled; complex; crystals

Building on the general theoretical framework developed in the first funding period, the specific effects arising from varying the range and symmetries of colloid and nanoparticle interactions also on different length scales will be investigated. We aim to determine the formation of equilibrium and metastable states and their thermodynamic, elastic and transport properties for particle systems available in the CRC. Density functional theory, fluctuating hydrodynamics and kinetic theory provide the flexible framework to study inter alia ellipsoidal, dumbbell and rod-like particles and can be tested by molecular dynamics simulations.

在第一个资助期开发的一般理论框架的基础上，将研究不同长度尺度上胶体和纳米颗粒相互作用的范围和对称性所产生的具体影响。我们的目标是确定形成的平衡和亚稳态和它们的热力学，弹性和运输性能的粒子系统中提供的CRC。密度泛函理论，波动流体力学和动力学理论提供了灵活的框架，阿利亚是研究椭圆形，哑铃和棒状粒子，并可以通过分子动力学模拟进行测试。