Experimental Characterization and Sequential Multi-Scale Modeling of Reactive Wetting

反应润湿的实验表征和顺序多尺度建模

• 批准号: 0606408
• 负责人: Timothy Singler
• 金额: --
• 依托单位: SUNY at Binghamton
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-08-01 至 2011-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0606408&HistoricalAwards=false
• 关键词: Experimental; Characterization; Sequential; Multi; Scale

TECHNICAL: Wetting, phase change and reaction in high temperature systems (e.g., a liquid metal on a metal substrate) are complex phenomena that are only partially understood. These phenomena are key to joining processes (soldering and brazing), thin film processing and sintering among others. Reactive wetting is characterized by chemical and physical processes that span a broad range of spatial and temporal scales. Effective study of reactive wetting requires a multi-disciplinary effort involving expertise in chemical thermodynamics, phase transformations, capillary behavior and multi-scale transport. PIs will undertake a comprehensive study involving experimental characterization of liquid metal sessile drops spreading on metallic substrates in a controlled environment for several important alloy systems. To gain better fundamental understanding and to more fully interpret the experimental results, three levels of computational modeling will be used. The modeling will simulate the relevant physical processes on different length and time scales. A framework of sequential multi-scale models provides a necessary foundation for the future development of more fully-coupled multi-scale models. The modeling and simulation in this study incorporate a quasi-one-dimensional diffusion model at the drop scale, a phase-field model coupled to hydrodynamic transport at the macro- and meso-scopic scales and molecular dynamics modeling of wetting and dissolution of high temperature metal-metal systems. A research group at Sandia National Laboratories will conduct atomistic simulations by applying their existing capability to model reactive wetting. The unique experimental characterization capabilities combined with the ability of the multi-scale models to quantify transport and contact line dynamics yields a significant advancement in the ability understand the complex phenomena associated with reactive wetting. NON-TECHNICAL: The innovative research will involve an experienced team of investigators (engineers, material scientists) and engineering students (both at the graduate and undergraduate level). The collaboration with Sandia National Laboratory will enable the students to interact with the research group performing the atomistic modeling. The investigators believe that this collaborative experimental/computational research effort will provide the students involved in the computational modeling valuable experience on how to incorporate knowledge gained from experimental characterization studies into continuum and first-principles models. The continuum level models will be developed using open-source software which will be available to students for use in studying related wetting and hydrodynamic phenomena and that can be extended to a range of applications.

技术：高温系统中的润湿、相变和反应（例如，金属衬底上的液态金属）是复杂的现象，仅被部分理解。这些现象是连接工艺（钎焊和铜焊）、薄膜加工和烧结等的关键。反应润湿的特征在于跨越广泛的空间和时间尺度的化学和物理过程。反应润湿的有效研究需要多学科的努力，涉及化学热力学，相变，毛细管行为和多尺度传输的专业知识。PI将进行一项全面的研究，包括在受控环境中对几种重要合金系统在金属基底上铺展的液态金属固着液滴的实验表征。为了获得更好的基本理解和更充分地解释实验结果，将使用三个层次的计算建模。该模型将模拟不同长度和时间尺度上的相关物理过程。序列多尺度模式的框架提供了一个必要的基础，为未来发展更充分耦合的多尺度模式。在这项研究中的建模和模拟结合了准一维扩散模型在滴尺度，相场模型耦合到流体动力学输运在宏观和细观尺度和分子动力学模拟高温金属-金属系统的润湿和溶解。桑迪亚国家实验室的一个研究小组将通过应用他们现有的能力来模拟反应润湿来进行原子模拟。独特的实验表征能力与多尺度模型量化传输和接触线动力学的能力相结合，在理解与反应性润湿相关的复杂现象的能力方面取得了重大进展。非技术性：创新研究将涉及经验丰富的研究人员（工程师，材料科学家）和工程专业的学生（研究生和本科生）团队。与桑迪亚国家实验室的合作将使学生能够与执行原子建模的研究小组进行互动。研究人员相信，这种合作实验/计算研究工作将为参与计算建模的学生提供如何将从实验表征研究中获得的知识融入连续统和第一性原理模型的宝贵经验。将使用开放源码软件开发连续体水平模型，该软件将提供给学生用于研究相关的润湿和流体动力学现象，并可扩展到一系列应用。