Modeling diffusion in binary nitrides and nitride alloys

Dr. Ferenc Tasnadi

A general, short description of the topics:

  
Diffusion determines the kinetic properties of materials during phase transformation or crystal growth. First principles modeling of diffusion is a required but very challenging issue in materials science. For example, predicting the diffusion coefficients of TiAlN alloys would open a new perspective to investigate the impact of microstructure on hardness. This study aims to understand diffusion of technological important binary nitrides. During this work you will master yourself in theoretical materials science by using powerful supercomputers. You will also interact theoreticiants and experimentalist working on crystal growth that is related to surface diffusion.

  
1) Ab-initio calculations on the self-diffusion in cubic AlN, ZrN, HfN

Contact: Dr. Ferenc Tasnadi, tasnadi@ifm.liu.se