Course Syllabus for

Computational Materials Science
Beräkningsbaserad materialmekanik

FHL010F, 7.5 credits

Valid from: Spring 2014
Decided by: FN3/Per Tunestål
Date of establishment: 2014-05-16

General Information

Division: Solid Mechanics
Course type: Third-cycle course
Teaching language: English


Computational modeling and simulation is today a standard tool in product development in most branches of industry and is mostly based on numerical material models, formulated at the macroscale. This course forms a link between such phenomenological computational materials modeling and materials science. Special attention will be given the manifestation of plasticity, macroscopically and on the scale of the material's microstructure. Modeling of important processes such as phase transformations and recrystallization will be discussed as well as how these processes can be utilized. The aims of this course are to: introduce students to modeling of materials behavior and computational simulation techniques that cover length scales from a few micrometers and up to the macroscale show how these modeling methods can be used to understand and predict material structure and the relationships between material structure and material behavior develop an understanding of the assumptions and approximations that are involved in the modeling. Students will be introduced to the basis for the simulation techniques, learn how to use computational modeling, and how to present and interpret the results of simulations. The students will work with their own implementation of numerical modeling algorithms to reinforce concepts learned in the lectures. The course focus lies on computational modeling and simulation. Recognizing metals as one of the most important engineering materials, the lectures will emphasize this class of materials. The presented modeling techniques and principles are, however, applicable to many different types of materials and phenomena.


Knowledge and Understanding

For a passing grade the doctoral student must

Competences and Skills

For a passing grade the doctoral student must

Judgement and Approach

For a passing grade the doctoral student must

Course Contents

The following topics will be covered in the course, with emphasis on modeling: Introduction to the evolution of microstructure in metallic materials Crystallographic texture and parametric representation of crystal orientations and misorientations. Grain boundary migration, grain boundary energy and mobility. Formation of microstructures through phase transformation and recrystallization and the impact on macroscopic material behavior. Computational modeling of microstructure evolution Phenomenological models. Crystal plasticity models. Monte Carlo Potts methods. Cellular automata. Vertex/front tracking techniques. Level set methods. Phase field models. Model implementation. Sources of simulation errors. Computational issues: domain discretization, boundary conditions, parallelization strategies. Identification of model parameters: Model calibration and validation.

Course Literature

Hallberg, H.: Modeling of Microstructure Mechanics.

Instruction Details

Types of instruction: Seminars, exercises, project

Examination Details

Examination format: Written report
Grading scale: Failed, pass

Admission Details

Further Information

The course will be given if the number of registered students is sufficient.

Course Occasion Information

Contact and Other Information

Course coordinators:

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