MEMS 5612: Atomistic Modeling of Materials

Next offering: Spr 24

Past offerings: Fall 22 , Fall 21, Spr 20, Spr 19, Spr 18, Spr 17

This course provides an introduction to atomic-scale computational methods to model, understand and predict the properties of materials. These methods include electronic structure calculations using density-functional theory (DFT) and tight-binding methods, molecular dynamics (MD) simulations using classical force-fields, and Monte Carlo methods. It also introduces students to Materials Informatics, including data mining from materials databases and building classification and regression models for select material properties.

The course has three components: lectures, hands-on laboratories, and a final project. The basic background of the computational methods is covered in the lectures along with examples of their use for calculating various material properties such as mechanical, electronic, optical and magnetic properties. The laboratories provide exposure to using powerful atomistic modeling codes to model the behavior of crystalline materials and polymers. Students work in groups on a final modeling project that typically lasts 6 weeks. They use supercomputers through the NSF ACCESS (formerly XSEDE) network for the laboratories and final project.

MEMS 5619: Thermodynamics of Materials

Next offering: TBD

First offered in Fall 23

The course will review the laws of thermodynamics and introduce the principles of statistical mechanics along with thermodynamic variables and the relationships between them. It will cover thermodynamic equilibria in unary and multicomponent systems along with the construction of phase diagrams. The use of thermodynamics for understanding surfaces and interfaces, defects, chemical reactions, and other technical applications will be emphasized.

This is a core-course for the IMSE PhD program.

MEMS 3610: Materials Science (Previously taught)

Past offerings: Spr 23, Spr 22, Spr 21, Fall 19, Fall 18 , Fall 17, Fall 16

In this course students learn to describe the “structure” of a material, from the electronic and atomic length scales (10-10 m), to macroscopic length scales (> 10-3 m). They learn the basic physical and mathematical models that relate material structure at relevant length scales to the engineering properties of metals, ceramics, polymers, and composites. The learn how processing can be used to change the structure and therefore properties and uses of engineering materials. They learn to apply this knowledge to the selection and design of materials for different applications.

MEMS 301: Thermodynamics (Previously taught)

Past offering: Fl 15

This is the undergraduate-level thermodynamics course for mechanical engineering students.

Topics covered: Classical thermodynamics, thermodynamic properties, work and heat, first and second laws, entropy, irreversibility, availability, thermodynamic cycle analysis, mixtures of ideal gases, combustion processes and chemical equilibrium. Applications to engineering systems are discussed.