Sökning: "Sergei Dudarev"
Hittade 3 avhandlingar innehållade orden Sergei Dudarev.
1. Ab Initio Modeling of Magnetic Materials in the High-Temperature Paramagnetic Phase
Sammanfattning : The modeling of magnetic materials at finite temperatures is an ongoing challenge in the field of theoretical physics. This field has strongly benefited from the development of computational methods, which allow to predict material’s properties and explain physical effects on the atomic scale, and are now employed to direct the design of new materials. LÄS MER
2. Electronic transitions and correlation effects : From pure elements to complex materials
Sammanfattning : Macroscopic properties of real materials, such as conductivity, magneticproperties, crystal structure parameters, etc. are closely related or evendetermined by the configuration of their electrons, characterized by electronicstructure. By changing the conditions, e.g, pressure, temperature, magnetic/electric field, chemical doping, etc. LÄS MER
3. Thermodynamic and kinetic properties of Fe-Cr and TiC-ZrC alloys from Density Functional Theory
Sammanfattning : The complete and accurate thermodynamic and kinetic description of any systemis crucialfor understanding and predicting its properties. A particular interest is in systemsthat are used for some practical applications and have to be constantly improved usingmodification of their composition and structure. LÄS MER