MSE Seminar Series: Daniel Wheeler
Friday, April 9, 2010
Room 2108 Chemical and Nuclear Engineering Bldg.
An Open-Source PDE Solver for Materials Science
Materials science processes such as electrochemical deposition or reactive wetting are best represented mathematically by a system of partial differential equations (PDEs) that govern the bulk transport as well as boundary conditions that govern the motion of the interface onto which material is deposited or adsorbed. In order to derive and solve these equations, techniques such as the level set method or phase field method are required. These are generally hard to program and require specialized knowledge and sophisticated numerical methods that are not readily available to most interested parties. This presentation will describe an open source PDE solver (FiPy http://www.ctcms.nist.gov/fipy) that can be used to easily pose and solve equations that arise from models of materials science processes. A number of examples will be demonstrated with emphasis on a model of reactive wetting.