FACULTY OF ENGINEERINGDEPARTMENT OF METALLURGICAL AND MATERIALS ENGINEERING


Courses given by the Department of Metallurgical and Materials Engineering


METE545 ATOMISTIC COMPUTER MODELLING OF MATERIALS

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

Course Objective

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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.

Learning Outcomes

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