Fluctuating Hydrodynamics for Liquid Spreading over Heterogeneous Surfaces

液体在异质表面上扩散的脉动流体动力学

• 批准号: 2236750
• 金额: --
• 依托单位: University of Warwick
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2019
• 资助国家: 英国
• 起止时间: 2019 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2236750
• 关键词: Fluctuating; Hydrodynamics; Liquid; Spreading; over

Description: Understanding the spreading of liquids over heterogeneous solid surfaces is the key to numerous emerging technologies (e.g. capabilities to 3D print metallic structures), biological systems (retention of liquids by plant leaves) and even forensic science (analysis of blood splatters). The most remarkable feature of the wetting process is its strong multiscale nature, which ensures that nanoscale and microscale effects have a strong macroscopic influence on systems of interest. It is the fascinating multiscale nature of wetting that makes it such a theoretically challenging topic, as one must connect the microscale with the macroscale in a computationally tractable manner.Aims: To develop a stochastic computational model capable of capturing the nanoscale fluctuations that drive macroscopic wetting flows over heterogeneous surfaces and validate this against molecular dynamics simulations, in collaboration with our partners in Mons.Novelty & Methodology: Thermal fluctuations, which allow molecules to 'hop' over potential barriers in the solid, have long been considered as a potential driving mechanism for dynamic wetting flows. Owing to the small spatial and temporal scales on which this physics acts, molecular dynamics (MD) simulations are able to capture the local dynamics, and can be used as a benchmark. However, attempts to connect this mechanism to macroscopic dynamics, and thus experiments, have remained elusive due to the computational intractability of MD above the nanoscale. Furthermore, there is debate over the dominant forces for 'real' (i.e. heterogeneous) surfaces, where hopping over defects in the surface structure may be more important than the molecular jumps. These open problems can only be addressed by the development of a computational model based on the theory of fluctuating hydrodynamics, i.e. stochastic partial differential equation (SPDEs), which would give new, much-needed capabilities for understanding this system.Alignment:i) EPSRC Programme Grant 'Nano-Engineered Flow Technologies: Simulation for Design across Scale and Phase' (EP/N016602/1, PI: Lockerby)ii) EPSRC CDT HetSys Core Training Objectives:a) Interdisciplinarity - will be essential as the project cuts across physics (development of models), computational engineering and applied mathematics (e.g. SPDEs).b) Robust Software Engineering - is required to develop both MD and SPDE computational models that will have lifetime and legacy beyond that of the project.c) Uncertainty - will become important when attempting to quantify the influence of the random surface structure on macroscopic flow; a new direction of research in this field.Collaborations:i) The primary partner will be the Laboratory of Surface & Interfacial Physics in Mons (one of HetSys's partners) who have unrivalled expertise in the MD of wetting processes.ii) This research should lead to collaborations with Professor Bruno Andreotti's group at Universite Paris-Diderot, where great experimental and theoretical progress has been achieved in the wetting of heterogeneous substrates, and the Centre for Smart Interfaces in Darmstadt.iii) Any progress in understanding dynamic wetting could be translated to industrial partners who we have an existing relationship with, such as Bell Labs (HetSys partner), Schlumberger and Akzo Nobel.

描述：了解液体在异质固体表面上的传播是众多新兴技术（例如3D打印金属结构的能力），生物系统（植物叶子保留液体），甚至是法医科学（对血液溅起的分析）的关键。润湿过程的最显着特征是其强大的多尺寸性质​​，可确保纳米级和微观效应对感兴趣的系统产生强大的宏观影响。它是润湿的引人入胜的多尺度性质，使其成为一个充满挑战的话题，因为人们必须以可计算的方式将微观与宏观与宏观联系起来。 Mons.novelty＆方法论：允许分子在固体中“跳”的热波动，长期以来一直被认为是动态润湿流的潜在驱动机制。由于该物理学作用的小空间和时间尺度，分子动力学（MD）模拟能够捕获局部动力学，并且可以用作基准。但是，由于MD在纳米级上方的计算棘手性，试图将这种机制与宏观动力学联系起来，因此实验仍然难以捉摸。此外，关于“真实”（即异质）表面的主要力量存在争议，在表面结构中跳过缺陷可能比分子跳跃更为重要。这些开放问题只能通过基于波动流体动力学理论（即随机部分微分方程（SPDE）（SPDES）的发展理论来解决这些开放问题，该理论将为理解该系统提供新的，急需的功能。 lockerby）ii）EPSRC CDT HETSYS核心培训目标：a）跨学科性 - 将是必不可少的，因为项目跨物理（开发模型），计算工程和应用数学（例如SPDES）（例如，SPDES）.b）的稳健软件工程是发展重要的MD和SPD计算机模型的重要性，而将成为MD和SPDE的重要效果，并且需要越来越重要随机表面结构对宏观流动的影响；集合：i）主要伴侣将是蒙斯（Hetsys的合作伙伴之一）的地表与界面物理实验室，他们在润湿过程中具有无与伦比的专业知识。II）这项研究应导致与Bruno Andreotti教授的湿润实验，并在与Bruno Andreotti教授的合作中进行合作，以实验和实验。 darmstadt.iii中的异质底物和智能接口中心）可以将任何了解动态润湿的进展转化为我们与现有关系的工业伙伴，例如贝尔实验室（Hetsys Partner），Schlumberger和Akzo Nobel。