Sökning: "Scheicher Ralph"
Hittade 2 avhandlingar innehållade orden Scheicher Ralph.
1. Metal Hydrogen Interaction and Structural Characterization of Amorphous Materials from first principles
Sammanfattning : In this thesis, first-principles calculations based on density functional theory have been employed to investigate metal hydrogen interaction in transition, p-block and rare earth metals. Furthermore, the accuracy of the stochastic quenching method was tested in describing the structure of amorphous Fe(1-x)Zrx. LÄS MER
2. First-Principles Studies of Materials Properties : Pressure-Induced Phase Transitions & Functional Materials
Sammanfattning : This thesis presents the first-principles studies of materials properties within the framework of the density functional theory (DFT). The thesis constitutes three main parts, i. e., pressure-induced phase transitions in solids, data-storage and clean-energy materials. LÄS MER