Sökning: "face-centered cubic structure"
Visar resultat 1 - 5 av 21 avhandlingar innehållade orden face-centered cubic structure.
1. Ab initio Investigation of Face-centered cubic High-Entropy Alloys
Sammanfattning : High-entropy alloys (HEAs) represent a special group of solid solutions containing five or more principal elements. The new design strategy has attracted extensive attention from the materials science community. The design and development of HEAs with desired properties have become an important subject in materials science and technology. LÄS MER
2. Simulation of lattice defacts im metals
Sammanfattning : .... LÄS MER
3. Designing and Tuning the Properties of Materials by Quantum Mechanical Calculations
Sammanfattning : In many materials, changes in chemical composition, pressure or temperature can induce metal to insulator transitions. It is recently observed in yttrium hydride, for example, changes from a shiny mirror (YH2) to a transparent window (YH3), which has important technological application in optical devices. LÄS MER
4. Spectroscopic and elastic properties in metallic systems from first-principles methods
Sammanfattning : In this thesis, ab initio calculations on metallic systems are presented. The overall aim is to probe properties that are often considered to be difficult to obtain within the framework of density-functional theory. The aim has also been to chose problems and systems that are of a wider interest and not only a testbed for calculations. LÄS MER
5. Effects of disorder in metallic systems from First-Principles calculations
Sammanfattning : In this thesis, quantum-mechanical calculations within density-functional theory on metallic systems are presented. The overarching goal has been to investigate effects of disorder. In particular, one of the properties investigated is the bindingenergy shifts for core electrons in binary alloys using different theoretical methods. LÄS MER