Mehdi Nourazar Khoshknab

Ab initio based multi-scale modelling of alloy phases and phase transformations

I am interested in multiscale computational models for studying materials, starting from the electronic and atomic structure of various defects (impurities, vacancies, stacking faults, dislocations, and grain boundaries) and extending to describe the interactions among these defects with the goal to predict the microstructure evolution and accompanying changes in the macroscopic mechanical properties of the material, taking into account external factors such as temperature and pressure.

Teaching Assistant:
MH1025 2019 - Thermodynamic and kinetic properties of virtual matter: Computational experiments
MH2046 2019 - Quantum Metallurgy
MH1070 2019 - Materials Design Perspectives: Tensile loading of Co & Ni using molecular dynamics
MH1025 2020 - First principles study of structural phase stability of Magnesium under pressure