Thermodynamic modelling by means of the Calphad method i.e. including different experimental techniques and how the information is used, use of ab initio-information, assessment technique.
FMH3304 Computational Thermodynamics- Assessment of Thermodynamic Properties 6.0 credits
About course offering
For course offering
Spring 2024 Start 16 Jan 2024 programme students
Target group
PhD students
Part of programme
No information insertedPeriods
P3 (3.0 hp), P4 (3.0 hp)Duration
Pace of study
17%
Form of study
Normal Daytime
Language of instruction
English
Course location
KTH Campus
Number of places
Min: 1
Planned modular schedule
Course memo
Course memo is not publishedSchedule
Schedule is not publishedApplication
For course offering
Spring 2024 Start 16 Jan 2024 programme students
Application code
60882
Contact
For course offering
Spring 2024 Start 16 Jan 2024 programme students
Contact
Professor Malin Selleby malin@kth.se
Examiner
No information insertedCourse coordinator
No information insertedTeachers
No information insertedContent and learning outcomes
Course contents
Intended learning outcomes
The course intends to give the students basic understanding of how thermodynamic properties of different phases can be evaluated and used to create consistent thermodynamic descriptions of alloy system. The course turns to doctoral students who want to get into basic thermodynamic modelling and calculations. The course covers, how different phases are modelled and which type of experimental information that can be used to fit the model parameters i.e. phase diagrams and thermochemical information such as activity, enthalpy of formation, heat capacity etc, but also ab initio calculated information.
On completion of the course, the student should be able to:
- connect crystallography to thermodynamic models
- read relevant scientific literature and from this be able to extract experimental information for use in thermodynamic evaluations correctly and to compare with calculated results.
- use ab initio calculated information in thermodynamic evaluations.
- write a scientific article about evaluation of a specific alloy system.
Literature and preparations
Specific prerequisites
The thermodynamics of alloys, the software Thermo-Calc classical version/consol version.
Recommended prerequisites
Equipment
Literature
Lukas, Fries, Sundman, Computational Thermodynamics - The Calphad Method, Cambridge University Press, ISBN 978-0-521-86811-2
Handed-out scientific articles
Examination and completion
If the course is discontinued, students may request to be examined during the following two academic years.
Grading scale
Examination
- INL1 - Assignment, 6.0 credits, grading scale: P, 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.
Opportunity to complete the requirements via supplementary examination
Opportunity to raise an approved grade via renewed examination
Examiner
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.