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MAT_SCI 395-4: Special Topics: Computational Thermodynamics and Kinetics


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Prerequisites

physical chemistry, solid state physics, physical metallurgy

Description

The course deals with the thermodynamic and kinetic basis of phase equilibria and phase transformations in materials science. In particular computational modeling by means of the CALPHAD method is emphasized. The fundamental laws of thermodynamics and general conditions for equilibrium and stability will be discussed. Practical application involving calculation of phase equilibria, phase diagrams and driving forces for phase transformations are considered as well as mathematical modeling of various phases and their thermodynamic behavior and some related phenomena.

On the kinetic side particular emphasis is on multicomponent diffusion effects and simulation of diffusion controlled phase transformations using different approaches.

All graduate students and upper undergraduates with interest in materials science are welcome to follow the course. However, some basic knowledge in physical chemistry, solid state physics and physical metallurgy is required.

Literature:

Parts of textbook by M. Hillert; Phase Equilibria, Phase Diagrams and Phase Transformations, 2:nd ed., Cambridge University Press 2012

Material handed out.