MSE 597I

Introduction to Computational Materials Science

Sem. 1. Class 3, cr. 3. (offered in alternate years). Prerequisite: senior or graduate standing in engineering or science.

MSE 597I is an elective course.

Weekly Schedule: Three 50-minute lectures.

Computational Materials Science plays a fundamental role in the development, planning, and manufacturing of new materials, processes, and devices. This brand-new course will focus on the development of computational methods, numerical techniques, theories, and algorithms used by the materials science community to describe and engineer the equilibrium and kinetics of materials.  By starting from real-life example applications, students will be exposed to advantages, disadvantages, and pitfalls associated with various methods, which include finite differences, finite elements, molecular dynamics, Monte Carlo, sharp and diffuse interface, and level set methods, etc. The hands-on laboratory sessions and homework problems will provide a first-hand learning experience in modeling and design of materials, material microstructures and material properties. Example applications include phase diagram modeling of nanomaterials, colloidal modeling and self-assembly of materials and devices, rechargeable lithium-ion batteries, solid oxide fuel cells, sintering, nucleation and growth, ferroelectric materials and associated applications (e.g., RAMs, actuators), etc., just to mention a few. Practical aspects associated to the computation of materials, such as model validation, parallel computing, multiscale modeling, and visualization of large data sets, will also be addressed.

Relation of Course to Program Outcomes
1. an ability to apply knowledge of mathematics, science, and engineering to problems in materials engineering.
5. an ability to identify, formulate, and solve engineering problems, particularly in the context of materials selection and design.
7. an ability to exhibit effective oral and written communication skills.
11. an ability to use the techniques, skills, and experimental, computational and data analysis tools necessary for materials engineering practice.

Goals and Course Objectives
The student will be introduced to theoretical and numerical methodologies to describe the equilibrium and kinetics of materials. These include the most commonly used and cutting-edge methodologies to simulate the bulk, interfacial properties, and microstructural evolution of materials. Advantages, disadvantages, stability, and reaches and limitations will be presented.

Instructor(s)
Edwin García

Contribution of course to meeting the professional component: MSE 597I is a materials-specific technical elective course.

Prepared by: Elliott Slamovich                                                            Date: April 26th, 2007