Sökning: "cluster expansion"
Visar resultat 1 - 5 av 35 avhandlingar innehållade orden cluster expansion.
1. A Treatise on the Geometric and Electronic Structure of Clusters : Investigated by Synchrotron Radiation Based Electron Spectroscopies
Sammanfattning : Clusters are finite ensembles of atoms or molecules with sizes in the nanometer regime (i.e. nanoparticles). This thesis present results on the geometric and electronic structure of homogeneous and heterogeneous combinations of atoms and molecules. LÄS MER
2. Cluster Effective Field Theory
Sammanfattning : Halo nuclei are loosely bound systems consisting of a core plus valence nucleon(s). In so called Halo, or Cluster, effective field theory, the core of the halo nucleus is treated as an effective degree-of-freedom without internal structure. LÄS MER
3. Atomic scale modeling of ordering phenomena
Sammanfattning : Ordering phenomena in materials often have a crucial impact on materials properties. They are governed by the competition between entropy and energy. Accordingly simulating these aspects requires the construction of models that enable a computationally efficient exploration of the relevant configuration space. LÄS MER
4. Atomic scale modeling of ordering phenomena in inorganic clathrates
Sammanfattning : Ordering phenomena in materials often have a crucial impact on materials properties. They are governed by the competition between entropy and energy. Accordingly simulating these aspects requires the construction of models that enable an computationally efficient exploration of the relevant configuration space. LÄS MER
5. Computational investigation of interface structure and composition in cemented carbides at finite temperatures
Sammanfattning : WC-Co cemented carbides combine superb hardness with high toughness making them ideal for usage in high-speed machining of steels and in wear resistance tools. These excellent mechanical properties are to a large extent dependent on the microstructure and thus the interfacial properties of the material. LÄS MER