Search for dissertations about: "Igor A. Abrikosov"
Showing result 16 - 20 of 26 swedish dissertations containing the words Igor A. Abrikosov.
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16. Vibrations in solids : From first principles lattice dynamics to high temperature phase stability
Abstract : In this thesis I introduce a new method for calculating the temperature dependent vibrational contribution to the free energy of a substitutionally disordered alloy that accounts for anharmonicity at high temperatures. This method exploits the underlying crystal symmetries in an alloy to make the calculations tractable. READ MORE
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17. Combining ab‐initio and machine learning techniques for theoretical simulations of hard nitrides at extreme conditions
Abstract : In this thesis I focus on combining the high accuracy of first-principles calculations with modern machine learning methods to make large scale investigations of industrially relevant nitride systems reliable and computationally viable. I study the electronic, thermodynamic and mechanical properties of two families of compounds: Ti1−xAlxN alloys at the operational conditions of industrial cutting tools and ReNx systems at crushing pres-sures comparable to inner earth core conditions. READ MORE
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18. Ab Initio Simulations of Transition Metal Alloys: Towards the Multiscale Modeling
Abstract : The present thesis concerns applications of first principles electronic structure calculations in conjunction with methods of statistical mechanics for simulations of transition metal alloys both in the bulk and at surfaces.A fully relativistic generalization of the exact muffin-tin orbitals (EMTO) method has been developed. READ MORE
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19. Properties of multilayered and multicomponent nitride alloys from first principles
Abstract : This thesis is a theoretical exploration of properties of multilayered and multicomponent nitride alloys, in particular their mixing thermodynamics and elastic behaviors. Systematic investigation of properties of a large class of materials, such as the multicomponent nitride solid solutions, is in line with the modern approach of high-throughput search of novel materials. READ MORE
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20. Theoretical understanding of stability of alloys for hard-coating applications and design
Abstract : The performance of modern hard coating materials puts high demands on properties such as hardness, thermal stability and oxidation resistance. These properties not only depend on the chemical composition, but also on the structure of the material on a nanoscale. READ MORE
