Sökning: "Cluster expansion"

Visar resultat 1 - 5 av 35 avhandlingar innehållade orden Cluster expansion.

  1. 1. A Treatise on the Geometric and Electronic Structure of Clusters : Investigated by Synchrotron Radiation Based Electron Spectroscopies

    Författare :Andreas Lindblad; Olle Björneholm; Gunnar Öhrwall; Maxim Tchaplyguine; Paolo Milani; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Cluster; nanoparticle; Heterogeneous; Homogeneous; Mixed; Cluster production methods; co-expansion; pick-up; doping; Cluster geometry; radial segregation; Interatomic Coulombic Decay; ICD; Auger electron spectroscopy; AES; X-ray photoelectron spectroscopy; XPS; Ultra-violet spectroscopy; UPS; Noble gas; Rare gas; Ne; Ar; Kr; Xe; Ammonia; NH3; Sulphur hexafluoride; SF6; MAX-lab; BESSY; Physics; Fysik;

    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

  3. 2. Cluster Effective Field Theory

    Författare :EMIL RYBERG; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; effective field theory; charge radius; resonant state; renormalization; radiative capture; halo nuclei; power counting; nuclear physics; few-body physics;

    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

  4. 3. Atomic scale modeling of ordering phenomena

    Författare :Mattias Ångqvist; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; tungsten carbide; alloys; ordering phenomena; zeolites; inorganic clathrates; Cluster expansion; Monte Carlo;

    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

  5. 4. Atomic scale modeling of ordering phenomena in inorganic clathrates

    Författare :Mattias Ångqvist; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; ordering phenomena; Cluster expansion; Monte Carlo; 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

  7. 5. Computational investigation of interface structure and composition in cemented carbides at finite temperatures

    Författare :Erik Fransson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Molecular dynamics; Hard Metals; Interfacial free energies; Monte Carlo; Cemented carbides; Force constants; Cluster expansion;

    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