Sökning: "lattice energy"

Visar resultat 1 - 5 av 260 avhandlingar innehållade orden lattice energy.

  1. 1. On Microstructural Analysis of Porous Media Existing in Fuel Cells Using the Lattice Boltzmann Method

    Författare :Mayken Espinoza Andaluz; Värmeöverföring; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Porous media; lattice Boltzmann method; microscale; Gas-phase tortuosity; Porosity; Fuel Cell;

    Sammanfattning : This Licentiate thesis aims to gain understanding related to the fluid behavior in porous media existent in fuel cells (FCs) at microscale. In order to achieve this; the widely used methodology for solving problems in porous media has been applied, the Lattice Boltzmann Method (LBM). LÄS MER

  2. 2. Ab initio Lattice Dynamics : Hydrogen-dense and Other Materials

    Författare :Duck Young Kim; Rajeev Ahuja; Richard Needs; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; Density functional theory; Density functional perturbation theory; Hydrogen-dense materials; Phase transition; High pressure; Ab initio lattice dynamics; Superconductivity; Quasi-particle approximation; Physics; Fysik;

    Sammanfattning : This thesis presents a theoretical study of materials under high pressure using ab initio lattice dynamics based on density functional theory and density functional perturbation theory using both super-cell and linear response approach. Ab initio lattice dynamics using super-cell approach is applied to compare our theoretical predictions with experimental findings. LÄS MER

  3. 3. Studies for the Low Emittance MAX-IV Storage Rings

    Författare :Hamed Tarawneh; Lunds universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Fysik; Physics; Touschek losses; energy acceptance; dynamic aperture; Lattice; emittance;

    Sammanfattning : This thesis discusses the feasibility of a low emittance lattice proposed for the MAX-IV storage rings. The MAX-IV facility will have two storage rings that are identical but operated at two different energies, 1.5 GeV for soft X-ray and 3 GeV for hard X-ray production. LÄS MER

  4. 4. Theoretical studies of lattice- and spin-polarons

    Författare :Nina Bondarenko; Olle Eriksson; Natalia Skorodumova; Manuel Pereiro; Maria Roser Valenti Vall; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Polaron; Nonlinear Schrödinger Equation; Nonlocality; Solitons; Integrable systems; Quantum field theory low energy ; Electron-phonon interaction; Density functional theory; Electronic structure of atoms and molecules; Spin-polaron; Langevin equation; Transport properties; Hubbard model; Heisenberg lattice; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : Theoretical studies of lattice- and spin-polarons are presented in this thesis, where the primary tool is ab-initio electronic structure calculations. The studies are performed with employment of a variety of analytical and computational methods. LÄS MER

  5. 5. Structural, Kinetic and Thermodynamic Aspects of the Crystal Polymorphism of Substituted Monocyclic Aromatic Compounds

    Författare :Michael Svärd; Åke Rasmuson; Hugo Meekes; KTH; []
    Nyckelord :ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; Polymorphism; crystallization; thermodynamics; kinetics; nucleation; crystallography; solubility; phase equilibria; polymorphic transformation; solution history; metastable zone; classical theory of nucleation; two-step theory of nucleation; cluster; crystal structure prediction; lattice energy; molecular mechanics; force field; electrostatic potential; potential energy hypersurface; m-aminobenzoic acid; m-hydroxybenzoic acid; Chemical engineering; Kemiteknik;

    Sammanfattning : This work concerns the interrelationship between thermodynamic, kinetic and structural aspects of crystal polymorphism. It is both experimental and theoretical, and limited with respect to compounds to substituted monocyclic aromatics. LÄS MER