Sökning: "cluster expansion"

Visar resultat 6 - 10 av 35 avhandlingar innehållade orden cluster expansion.

  1. 6. Explorations of boron-based materials through theoretical simulations

    Författare :Adam Carlsson; Martin Dahlqvist; Johanna Rosén; Jakoah Brgoch; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Density Functional Theory; Thermodynamic Stability; Borides; Crystal Structure Prediction; Cluster Expansion; High-throughput;

    Sammanfattning : This thesis focuses on boron-based materials, notable for their structural complexity and unique combination of ceramic and metallic properties. These properties typically result in materials with high mechanical strength, electrical conductivity, and melting points. LÄS MER

  3. 7. Unlocking the potential of a caged star: Thermoelectric quaternary clathrates

    Författare :Joakim Brorsson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Monte Carlo; Boltzmann Transport; Inorganic clathrates; Thermoelectrics; Cluster expansion;

    Sammanfattning : Heat losses are an inevitable consequence of any energy conversion process, dictated by the second law of thermodynamics. This not only leads to an eternal struggle, via the pursuit of maximal efficiency, it also undermines our efforts to solve the two issues that pose the most significant challenges to modern society: climate change and the worlds surging energy need. LÄS MER

  4. 8. Configurational Thermodynamics of the CeO2-Gd2O3 System : A Combined DFT, Cluster Expansion and Monte Carlo Approach to Bulk and Interfaces

    Författare :Pjotrs A. Žguns; Natalia V. Skorodumova; Andrei V. Ruban; María Verónica Ganduglia-Pirovano; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : In this thesis, we study the configurational thermodynamics of Ce1-xGdxO2-x/2 x ≤ 1 or CGO. We apply a combined Density Functional Theory (DFT), cluster expansion and Monte Carlo (MC) approach in which the configurational energy of CGO is described by means of the Ising-type Hamiltonian. LÄS MER

  5. 9. Search for lensed supernovae behind the galaxy cluster Abell 1689

    Författare :Tanja Petrushevska; Rahman Amanullah; Ariel Goobar; Peter Lundqvist; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; lensed supernovae; gravitational lensing; galaxy cluster Abell 1689; Astronomy; astronomi; fysik; Physics;

    Sammanfattning : Distant supernovae probe the history of cosmic expansion and star formation, and provide important information on their progenitor models. Investigation of supernovae type Ia for  are needed to reveal any evolution in their intrinsic properties, and thus their utility as existing distance indicators. LÄS MER

  7. 10. Regionalpolitikens diskursiva grunder och gränser : Om politik, makt och kunskap i det regionala samhällsbyggandet

    Författare :Line Säll; Malin Rönnblom; Jörgen Johansson; Kristina Boréus; Karlstads universitet; []
    Nyckelord :SAMHÄLLSVETENSKAP; SOCIAL SCIENCES; new regionalism; cluster policy; policy mobility; policy regime; assemblage; hegemony; governmentality; political practices; Statsvetenskap; Political Science;

    Sammanfattning : The change in regional governance in Sweden is regularly understood in terms of a shift from ’government’ to ’governance’, from a redistributive policy to a policy that aims to encourage regional innovation, competitiveness and growth. This shift also includes the adoption of global policy models, such as ’clusters’. LÄS MER