Sökning: "Reverse Monte-Carlo"

Visar resultat 11 - 15 av 23 avhandlingar innehållade orden Reverse Monte-Carlo.

  1. 11. Neutron Scattering Experiments and Computer Simulation Studies of a Polymer Electrolyte

    Författare :Patrik Carlsson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; neutron scattering; reverse Monte Carlo simulation; PPO-LiClO4; poly propylene oxide ; polymer electrolytes; polymer dynamics;

    Sammanfattning : Polymer electrolytes are regarded as key components in promising new types of batteries for portable electronic devices and electric cars. Batteries for such applications require polymer electrolytes with improved properties, e.g. a higher ionic conductivity. LÄS MER

  3. 12. Neutron and light scattering studies of phosphate glasses

    Författare :Aleksandar Matic; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; neutron scattering; reverse Monte Carlo simulations; ion conduction; Raman spectroscopy; phosphate glasses; rare-earth ions;

    Sammanfattning : .... LÄS MER

  4. 13. Solar cavity receiver design for a dish-Stirling system

    Författare :Jorge Garrido Gálvez; Björn Laumert; Uwe Gampe; KTH; []
    Nyckelord :Concentrating Solar Power; Solar receiver; Solar simulator; Uncertainty analysis; Monte Carlo ray tracing; Experimental validation; Coatings; System modeling; Structural analysis; Creep damage; Thermal stress; Cavity receiver design; Energy Technology; Energiteknik;

    Sammanfattning : The growing concern for the climate change has led to an increasing research effort in renewable energy technologies in order to achieve a more sustainable electricity production. Concentrating Solar Power (CSP) is identified as a promising technology to deal with part of the future electricity production. LÄS MER

  5. 14. Statistical Mechanical Studies of Aqueous solutions and Biomolecular Systems

    Författare :Fernando Luis Barroso Da Silva; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; highly charged macromolecules; dielectric discontinuity; dissociation constant; Tanford-Kirkwood model; protein mutation; electrostatic interactions; chemical potential; titration; biomolecules; computer simulations; radial distribution function; electrolyte solutions; continuum model.; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi;

    Sammanfattning : This thesis is concerned with theoretical studies of aqueous solutions and biomolecular systems. Part of the present work is to understand equilibrium solvent and solute properties, while the other part is to study processes that occur in these solutions. LÄS MER

  7. 15. Theoretical modeling of x-ray and vibrational spectroscopies applied to liquid water and surface adsorbates

    Författare :Mathias P. Ljungberg; Lars Pettersson; Shaul Mukamel; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; water; XAS; XES; IR; Raman; Chemical physics; Kemisk fysik; kemisk fysik; Chemical Physics;

    Sammanfattning : This thesis presents results of theoretical modeling of x-ray and vibrational spectroscopies applied to liquid water and to CO adsorbed on a Ni(100) surface. The Reverse Monte Carlo method is used to search for  water structures that reproduce diffraction, IR/Raman and x-ray absorption by fitting them to experimental data and imposed constraints. LÄS MER