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The physics of imperfections - vacancy cluster formation in alloys

Supervisor: Ferenc Tasnádi
Level: Bachelor or Master
Prerequisites: Solid State Physics, Thermodynamics

Diffusion determines the kinetic properties of materials during phase transformation or even in crystal growth. Prediction of the diffusion coefficients in TiAlN alloys, for example, would open a new perspective to investigate the microstructure evolution and its impact on the materials hardness. First principles modelling of diffusion is therefore a highly required discipline in modern materials science. However, it is a very challenging task. This study aims to introduce you to the diffusion of technological important binary nitrides and nitride alloys. The task is to generalise the methodology of calculating the energetics of forming vacancy clusters in alloys. It includes both computational simulations and efforts in  theoretical approach developmenet.

You can expect during this project: a strengthening of your knowledge in thermodynamics and solid states physics; an overview and routine in using sophisticated program packages on supercomputers.

[1] F. Tasnádi et al., submitted for publication
[2] F. Tasnádi et al., in manuscript

Responsible for this page: Fei Wang

Last updated: 03/13/15