Sökning: "Cluster expansion"

Visar resultat 16 - 20 av 35 avhandlingar innehållade orden Cluster expansion.

  1. 16. First Principles Modelling of Clean Energy Materials

    Författare :Pjotrs Žguns; Natalia Skorodumova; Andrei Ruban; Susanne Mirbt; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; DFT; energy; catalysis; ionic conductors; SOFC; adatom charging; anharmonicity; configurational energy; Materials Science and Engineering; Teknisk materialvetenskap;

    Sammanfattning : This licentiate thesis presents the density functional theory study on clean energy materials relevant for catalysis applications, and for solid oxide fuel cells.In the first part of the thesis the metal supported ultrathin films, namely ScN/Mo, MgO/Mo and NaF/Mo are considered, and the Cu atom adsorption and charging on them is explored. LÄS MER

  3. 17. Inertial collisions in random flows

    Författare :Kristian Gustafsson; Göteborgs universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Collisions; nonlinear dynamical systems; particles and aerosols; random processes; suspensions; turbulent diffusion; turbulent flows;

    Sammanfattning : In nature, suspensions of small particles in fluids are common. An important example are rain droplets suspended in turbulent clouds. Such clouds can start to rain very quickly and the reason for this is still not fully explained, but it is believed that the turbulent motion in the cloud plays an important role. LÄS MER

  4. 18. VLF and ULF Waves Associated with Magnetospheric Substorms

    Författare :Andrew Collier; Lars Blomberg; James McKenzie; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Space physics; Subtorms; Magnetosphere; VLF waves; ULF waves; Space physics; Rymdfysik;

    Sammanfattning : A magnetospheric substorm is manifested in a variety of phenomena observed both in space and on the ground. Two electromagnetic signatures are the Substorm Chorus Event (SCE) and Pi2 pulsations. The SCE is a Very Low Frequency (VLF) radio phenomenon observed on the ground after the onset of the substorm expansion phase. LÄS MER

  5. 19. From sequence to function : Comparative studies of insect olfactory receptors

    Författare :Xiaoqing Hou; Funktionell zoologi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Olfactory receptor; Heterologous expression; Pheromone; Plant volatile; Insect;

    Sammanfattning : In insects airborne odors are detected by the odorant receptors (ORs) and ionotropic receptors (IRs), located on the dendritic membrane of the olfactory sensory neurons (OSNs) housed in olfactory sensilla. The OR and IR gene families show high plasticity in lineage expansion and contraction following the birth-and-death evolutionary model. LÄS MER

  7. 20. Configurational and Magnetic Interactions in Multicomponent Systems

    Författare :Björn Alling; Igor A. Abrikosov; Lars Hultman; Stefan Blügel; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Magnetic interactions; Configurational thermodynamics; Curie temperature; theoretical physics; magnetism; TiAlN; TiN; AlN; CrN; TiCrN; nitrides; NiMnSb; NiCuMnSb; Heusler alloys; spintronics; half-metallic; spinodal decomposition; first-principles; ab-initio; Magnetism; Magnetism;

    Sammanfattning : This thesis is a theoretical study of configurational and magnetic interactions in multicomponent solids. These interactions are the projections onto the configurational and magnetic degrees of freedom of the underlying electronic quantum mechanical system, and can be used to model, explain and predict the properties of materials. LÄS MER