Search for dissertations about: "disordered alloys"
Showing result 11 - 15 of 35 swedish dissertations containing the words disordered alloys.
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11. Influence of Global Composition and Local Environment on the Spectroscopic and Magnetic Properties of Metallic Alloys
Abstract : Theoretical investigations of spectroscopic and magnetic properties of metallic systems in the bulk, as well as in nanostructured materials, have been performed within the density functional theory. The major part of the present work studies the differences between binding energies of electrons tightly bound to the atoms, the so-called core electrons (in contrast with the valence electrons), that is, core-level binding energy shift (CLS). READ MORE
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12. 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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13. Theoretical Considerations of Local Environment Effects in Alloys
Abstract : This thesis is devoted to a theoretical study of local environment effects in alloys. A fundamental property of a disordered system is that all chemically equivalent atoms are different due to their different chemical environments, in contrast to an ideal periodic solid where all the atoms that occupy equivalent positions in the crystal have exactly the same physical properties. READ MORE
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14. First-principles description of planarfaults in metals and alloys
Abstract : Phase interface and stacking fault are two common planar defects in metallic materials. In the present thesis, the interfacial energy and the generalized stacking fault energy of random alloys are investigated using density functional theory formulated within the exact muffin-tin orbitals (EMTO) method in combination with the coherent-potential approximation (CPA). READ MORE
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15. Elastic Properties of Iron Alloys from First-Principles Theory
Abstract : Accurate description of materials requires the most advanced atomic-scale techniques from both experimental and theoretical areas. In spite of numerous available techniques, however, the experimental study of the atomic-scale properties and phenomena even in simple solids is rather difficult. READ MORE
