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Previous focus seminars

A problem-oriented seminar series, with leading experts, focusing on specific areas of use for materials modeling.

Seminars

2024-04-23

Stacking fault energy and deformation mechanism of binder phase

PhD Song Lu discusses the underlying dislocation mechanisms underpinning twinning and martensitic transformation in metastable face-centered cubic (fcc) metals. The atomistic scale simulations of Co binder phase (solid solution) for understanding the thermodynamicalproperties and deformation behaviors will facilitate our design of Co-free new binder phases.

2024-04-23

Towards atomic resolution electron magnetic circular dichroism

Professor Klaus Leifer shows that an improvement of signal/noise ratio and orientation control of the sample leads to a strong enhancement of the electron magnetic circular dichroism (EMCD) signal whereas the use of highly convergent electron beams yields an EMCD signal inside the convergent beam diffraction disk. A technique applied for the analysis of magnetic phases in hard materials in collaboration with SandvikCoromant.

2024-04-23

First-principles derived “interfacial phase diagrams” for phase boundaries in doped cemented carbides

Professor Göran Wahnström and his team have developed a methodology based on a combination of DFT calculations and Thermo-Calc evaluations to determine the properties of interfaces in WC/Co based cemented carbides, doped with secondary transition metal carbides.

2024-04-23

Quantum mechanics basis of quality control in hard metals

Dr. Ruiwen Xie presents a general quantum-mechanics-based relation between the magnetic saturation and the components of the binder phase (85Ni15Fe) of cemented carbides, which can be directly employed as a quality control. The excellent agreement between calculated and measured magnetization saturation demonstrates the applicability of our method to any binder phase, which allows us to explore new materials for alternative binder phases efficiently.

2023-10-10

A short introduction to the electronic structure and magnetism of rare-earths

A seminar where professor Olle Eriksson talks about modeling of the structure and properties of rare-earth elements. Rare earths (RE) are the key elements to the modern energy production (magnets) and energy saving (magnetic refrigeration, LEDs) technologies. Eriksson and his colleagues carried out extensive modeling of the electronic structure and magnetism of RE metals.

The presentation in PDF-format:

Olle Eriksson_Introduction to the electronic structure and magnetism of rare-earths.pdf (pdf 9.0 MB)

2023-10-10

Crystal-field effects and temperature dependence of magnetic anisotropy in rare-earth-based hard magnets

Dr. Leonid Pourovskii talks about modeling of the structure and properties of rare-earth elements. Pourovskii has made major methodological achievement that have enabled researchers to compute the magnetic anisotropy of RE compounds which determines the high performance RE-based magnets.

The presentation in PDF-format:

Leo Pourovskii_Crystal-field effects and temperature dependence of magnetic anisotropy in rare-earth-based hard magnets.pdf (pdf 3.7 MB)