动态密度函数理论与惯性和背景流量
R D Mills-Williams1, B D Goddard2, A J Archer3
1Edinburgh Designs Ltd., 27 Ratcliffe Terrace, Edinburgh EH9 1SX, United Kingdom.
The Journal of chemical physics
|May 15, 2024
概括
我们开发了一种新的动态密度函数理论 (DDFT) 来建模由复杂流体流动驱动的体系统. 我们的方法准确地捕捉了非平衡动态,并与标准极限中的现有理论相匹配.
科学领域:
- 统计力学 统计力学
- 软物质物理学 软物质物理学
- 流体动力学 流体动力学
背景情况:
- 体系统在软物质中至关重要.
- 了解非平衡动态是关键的.
- 现有的理论往往简化了背景流动效应.
研究的目的:
- 开发一个动态密度函数理论 (DDFT) 用于一般背景流下的体系统.
- 将惯性和时间依赖的流量纳入DDFT.
- 为了模拟外部驱动的被动合体系统脱离平衡.
主要方法:
- 从不平衡的朗格温动力学中推导出非线性,非局部部分微分方程.
- 包含了局部液体浴的速度和惯性.
- 用于硬球系统的数值解决方案.
主要成果:
- 开发了一个DDFT框架,用于不均的,时间依赖的流.
- 在过度减压的极限中,与现有的DDFT表现出一致.
- 提供了各种领域的合体流的数值解决方案.
结论:
- 新的DDFT准确地描述了复杂流程下的合体动态.
- 该框架将DDFT扩展到包括惯性和时间依赖的效应.
- 数字模拟验证模型与先前的理论.
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