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MH2046 Quantum Metallurgy 6.0 credits

Kvantmetallurgi

  • Educational level

    Second cycle

  • Academic level (A-D)

    D

  • Subject area

    Materials Science

  • Grade scale

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

Course offerings

Spring 13 for programme students

Spring 14 for programme students

  • Periods

    Spring 14 P4 (6.0 credits)

  • Application code

    60694

  • Start date

    2014 week: 13

  • End date

    2014 week: 23

  • Language of instruction

    English

  • Campus

    KTH Campus

  • Number of lectures

  • Number of exercises

  • Tutoring time

    Daytime

  • Form of study

    Normal

  • Number of places *

    Min. 10

    *) The Course date may be cancelled if number of admitted are less than minimum of places.

  • Course responsible

    Andrei Ruban <ruban@kth.se>

  • Teacher

    Andrei Ruban <ruban@kth.se>

  • Target group

    Elective for all programs

Learning outcomes

After the course the student will know how to:

- Identify materials science problems where the quantum metallurgy approach will be useful.

- Formulate materials science problems in a way so they are accessible for the quantum metallurgy approach.

- Interact with experts to perform calculations by means of the quantum metallurgy approach.

- Calculate energies of various defects.

- Interact with experts to calculate mechanical and electric properties.

- Predict the behavior of small systems using the quantum metallurgy approach.

- Interact with experts to calculate some kinetic properties.

- Estimate accuracy and limitations of the technique.

Course main content

Overview, Basis of statistical physics, Molecular dynamics, Monte Carlo methods, Overview of quantum mechanics, band structure, Fermi level, nature of chemical bond, Density-functional theory, Calculation of structural stability of metals and alloys and energy of various defects. Calculation of mechanical and electrical properties, simulation of phase transitions. Accuracy and limitations of the technique. Overview over softwares.

Eligibility

SK1113 Physics or corresponding knowledge on electrostatics and electrodynamics, 

MH1016 Material Physics or corresponding knowledge on solid state physics.

Basic engineering mathematics including differential equations.

Literature

Distributed material

Examination

  • PRO1 - Project Assignment, 6.0 credits, grade scale: A, B, C, D, E, FX, F

Offered by

ITM/Materials Science and Engineering

Contact

Andrei Ruban, ruban@kth.se

Examiner

Andrei Ruban <ruban@kth.se>

Version

Course plan valid from: Spring 11.
Examination information valid from: Spring 11.