High accuracy computational methods for materials science and multiphase flow applications

用于材料科学和多相流应用的高精度计算方法

• 批准号: 122105-2013
• 负责人: Wetton, Brian
• 金额: $ 1.09万
• 依托单位: University of British Columbia
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2014
• 资助国家: 加拿大
• 起止时间: 2014-01-01 至 2015-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=545401
• 关键词: accuracy; computational; methods; materials; science

My research expertise is in mathematical modelling and scientific computation. This combination of skills allows me to contribute to diverse applications. Modelling is the process in which a phenomena of interest is described approximately by mathematical equations. Usually such equations are too complex to solve with pen and paper and must be approximated numerically (scientific computation). This process allows some engineering development work (such as airplane design) to be done with computer simulation, which is faster and less expensive that experimental trial and error and can lead to more optimal designs. This process can also be used to extrapolate outcomes from limited data, such as weather forecasting or predicting pollutant dispersal. Collaboration with experimentalists and application experts is needed to formulate and validate the models. My research is strongly driven by applications. I would like to pursue two main research areas in the next five years. One involves pore formation at the nanoscale in functionalized polymer materials that are used for example in hydrogen fuel cell membranes. I have recently developed a fast and accurate numerical framework for models of this type of phenomena that I would like to further investigate and improve. The second area is in models of multi-phase flow in porous media. These models arise in two applications I am interested in: site remediation (removing unwanted contaminants from soil by flushing the area with water) and water management in fuel cells (liquid water movement in porous electrodes). The models of these phenomena have a mathematical and computational difficulty at boundaries to one phase flow that I would like to investigate. Resolving these difficulties would lead to more accurate computations of existing models and perhaps point the direction to improving the models so that they better describe the phenomena of interest. This work will be done in an abstract framework and the results can also be used for other applications with models with similar structure. Graduate students working with me on these projects can easily proceed to academic or industrial employment.

我的研究专长是数学建模和科学计算。这种技能的结合使我能够为各种应用做出贡献。建模是用数学方程近似描述感兴趣的现象的过程。通常，这样的方程太复杂，无法用笔和纸来解决，必须用数值近似（科学计算）。这一过程允许一些工程开发工作（如飞机设计）通过计算机模拟来完成，这比实验性试错更快，更便宜，并且可以导致更优化的设计。这一过程也可用于从有限的数据中推断结果，如天气预报或预测污染物扩散。需要与实验人员和应用专家合作，以制定和验证模型。我的研究是由应用程序驱动的。我想在未来五年内从事两个主要的研究领域。其中之一涉及功能化聚合物材料中纳米级的孔隙形成，例如用于氢燃料电池膜。我最近为这类现象的模型开发了一个快速准确的数值框架，我想进一步研究和改进。第二个领域是多孔介质多相流模型。这些模型出现在我感兴趣的两个应用中：现场修复（通过用水冲洗该区域来去除土壤中不需要的污染物）和燃料电池中的水管理（多孔电极中的液态水运动）。这些现象的模型有一个数学和计算上的困难，在边界到一个相流，我想调查。解决这些困难将导致现有模型的更准确的计算，并可能指出改进模型的方向，使它们更好地描述感兴趣的现象。这项工作将在一个抽象的框架中完成，其结果也可以用于具有类似结构的模型的其他应用。与我一起从事这些项目的研究生可以轻松地进入学术或工业就业。