Search for dissertations about: "Computational atomic structure"
Showing result 11 - 15 of 65 swedish dissertations containing the words Computational atomic structure.
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11. Experimental and Computational Atomic Spectroscopy for Astrophysics : Oscillator strengths and lifetimes for Mg I, Si I, Si II, Sc I, and Sc II
Abstract : Atomic data such as oscillator strengths and wavelengths are important for astrophysical applications as they have a crucial role in determining abundances of specific elements in a star, a galaxy, or any object emitting radiation in the space. Stars in the Galaxy mostly keep the composition of the interstellar gas from which they were formed, therefore studying stellar abundances helps us understand how the Milky Way was formed and how it evolved. READ MORE
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12. Atomic short-range order, optical and electronic properties of amorphous transition metal oxides : An experimental and theoretical study of amorphous titanium aTiO2 and tungsten aWO3 solid thin-film oxides
Abstract : Amorphous transition metal oxides [aTMOs], have emerged as innovative functional materials for wide-ranging electronic, optical and energy-related applications. However, no systematic and broadly applicable method exists to assess their atomic-scale correlations, and since the optical and electronic processes are local structure-dependent, still there are not well-stablished mechanisms that suitably explain the physical properties of aTMOs. READ MORE
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13. Computational prediction of novel MAB phases
Abstract : The synthesis procedure of any materials system is often considered a challenging task if performed without any prior knowledge. Theoretical models may thus be used as an external input and guide experimental efforts toward novel exotic materials which are most likely to be synthesizable. READ MORE
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14. Theoretical Investigations of Boron Related Materials Using DFT
Abstract : In the history of Chemistry, materials chemists have developed their ideas mainly by doing experiments in laboratories. The underlying motivation for this laboratory work has generally been pure curiosity or the ambition to find a solution to a specific problem. READ MORE
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15. Computational investigation of interface structure and composition in cemented carbides at finite temperatures
Abstract : WC-Co cemented carbides combine superb hardness with high toughness making them ideal for usage in high-speed machining of steels and in wear resistance tools. These excellent mechanical properties are to a large extent dependent on the microstructure and thus the interfacial properties of the material. READ MORE
