Avancerad sökning
Hittade 2 avhandlingar som matchar ovanstående sökkriterier.
1. Density Functional Theory Study of Bulk Properties of Metallic Alloys and Compounds
Sammanfattning : First-principles methods based on Density functional theory (DFT) are now adopted routinely to calculate the properties of materials. However, one of the biggest challenges of DFT is to describe the electronic behaviors of random alloys. One of the aims of this thesis is to study binary alloys, e.g. LÄS MER
2. Density Functional Study of Elastic Properties of Metallic Alloys
Sammanfattning : Special quasi-random structure (SQS) and coherent potential approximation (CPA) are techniques widely employed in the first-principles calculations of random alloys. The aim of the thesis is to study these approaches by focusing on the local lattice distortion (LLD) and the crystal symmetry effects. LÄS MER
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