Academic Catalog

METE545 ATOMISTIC COMPUTER MODELLING OF MATERIALS

Course Code: 5700545
METU Credit (Theoretical-Laboratory hours/week): 3(2-2)
ECTS Credit: 8.0
Department: Metallurgical And Materials Engineering
Language of Instruction: English
Level of Study: Graduate
Course Coordinator: Prof.Dr. MEHMET KADR AYDINOL
Offered Semester: Fall and Spring Semesters.

Course Content

Theory and application of atomistic computer simulation methods to model, understand, and predict the properties of materials and simulate materials’ behavior. Introduction to energy models, from empirical potentials to first-principles techniques. Deterministic, stochastic and static approaches for atomistic modeling; Molecular Dynamics (MD), Monte Carlo (MC) and energy minimization methods. Application of these methods to understand, phase transformations, stability, phase diagram determination, atomic transport, order-disorder, defects, interfaces and surfaces.