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MH2057 Computational Thermodynamics 7.5 credits

Course memo Autumn 2025-50922

Version 1 – 08/20/2025, 1:22:40 PM

Course offering

Autumn 2025-50922 (Start date 25 Aug 2025, English)

Language Of Instruction

English

Offered By

ITM/Materials Science and Engineering

Course memo Autumn 2025

Headings denoted with an asterisk ( * ) is retrieved from the course syllabus version Autumn 2024

Content and learning outcomes

Course contents

  • Thermodynamic models for solid phases, liquids and gas phase
  • Modelling of solid substitutional and interstitial solution, carbides, oxides and intermetallic phases
  • Modelling of metallic melt systems and slags
  • The connection between Gibbs energy and phase diagrams
  • Reading of quantities such as chemical potential, driving forces etc from molar Gibbs energy diagram
  • Reference state and change of reference state and change of components
  • Phase diagrams and equilibria
  • Computer calculations of equilibria, phase diagrams, driving forces etc
  • Nomenclature of crystal structures
  • Introduction to the Calphad methodology

Intended learning outcomes

After passing the course, the student should be able to:

  1. Explain important concepts in thermodynamic modelling
  2. Use thermodynamic relationships for solution phases (solid phases, liquids and gas phase).
  3. Model these phases with simple models and with sub-lattice formalism (Compound Energy Formalism).
  4. Illustrate relationships between thermodynamic relations, Gibbs energy and phase diagrams.
  5. Carry out analytical and numerical calculations of thermodynamic problems.

Learning activities

The learning activities are lectures, pre-recorded shorter lectures, and exercises. 

Preparations before course start

Literature

Compendia 

Software

The software Thermo-Calc will be used. You need to install the software on your personal computer in order to be able to use it during the exercises. You may also use the software in the computer rooms.

Examination and completion

Grading scale

A, B, C, D, E, FX, F

Examination

  • INL1 - Assignment, 3.5 credits, grading scale: P, F
  • TEN1 - Written exam, 4.0 credits, grading scale: A, B, C, D, E, FX, F

Based on recommendation from KTH’s coordinator for disabilities, the examiner will decide how to adapt an examination for students with documented disability.

The examiner may apply another examination format when re-examining individual students.

If the course is discontinued, students may request to be examined during the following two academic years.

Ethical approach

  • All members of a group are responsible for the group's work.
  • In any assessment, every student shall honestly disclose any help received and sources used.
  • In an oral assessment, every student shall be able to present and answer questions about the entire assignment and solution.

Further information

Additional regulations

The official course syllabus is valid from the autumn semester 2024 in accordance with the decision by the Head of the ITM School: M-2024-1162. Date of decision: 2024-06-14.

Round Facts

Start date

25 Aug 2025

Course offering

  • Autumn 2025-50922

Language Of Instruction

English

Offered By

ITM/Materials Science and Engineering

Contacts

Course Coordinator

Teachers

Teacher Assistants

Examiner