Sökning: "Statistisk mekanik"

Visar resultat 1 - 5 av 49 avhandlingar innehållade orden Statistisk mekanik.

  1. 1. Spherical Indentation Technique for Multiscale Characterisation of Asphalt Mixtures

    Författare :Hassan Fadil; Denis Jelagin; Manfred Partl; Per-Lennart Larsson; Said Safwat; Eshan Dave; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Building Materials; Byggnadsmaterial;

    Sammanfattning : The viscoelastic properties of asphalt  mixtures  strongly  influence the  performance of flexible pavements  with respect to  their resistance to several common distress modes. Therefore, accurate measurement of these properties and their change during the service life is an important area of ongoing research. LÄS MER

  3. 2. Variational Methods in Combinatorial Optimization and Phylogeny Reconstruction

    Författare :Henrik Jönsson; Beräkningsbiologi och biologisk fysik - Genomgår omorganisation; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; statistical physics; gravitation; relativity; annealing; variational; mean-field; phylogeny; constraint satisfaction; combinatorial optimization; maximum likelihood; Physics; Fysik; Mathematical and general theoretical physics; quantum mechanics; classical mechanics; klassisk mekanik; kvantmekanik; relativitet; statistisk fysik; termodynamik; Fysicumarkivet A:2001:Jönsson; Matematisk och allmän teoretisk fysik; thermodynamics;

    Sammanfattning : Algorithms based on the variational approach, as used in statistical physics, are developed. For constraint satisfaction problems a novel cost function, based on information-theoretic arguments, is introduced, and an algorithm similar to the mean-field annealing algorithm is proposed. LÄS MER

  4. 3. Interactions in aqueous salt solutions : Atomistic modelling versus experiment

    Författare :Vidar Aspelin; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; statistisk mekanik; molekylär modellering; MD simuleringar; MC simuleringar; statistical mechanics; molecular simulation; MD simulations; MC simulations; Kirkwood-Buff theory; Hofmeister series;

    Sammanfattning : The research in this thesis investigates how atoms and molecules constituting aqueous salt solutions interact using computational approaches, namely Monte Carlo simulations and molecular dynamics simulations. In the first paper, an atomistic model was developed for aqueous solutions of sodium thiocyanate and potassium thiocyanate (NaSCN and KSCN). LÄS MER

  5. 4. Modeling of inorganic ions in aqueous solution

    Författare :Vidar Aspelin; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; molekylsimulering; statistisk mekanik; termodynamik; oorganiska joner; vattenlösningar; Kirkwood-Buff-teori; beräkningar av fri energi; molecular simulation; statistical mechanics; thermodynamics; inorganic ions; aqueous solutions; Kirkwood-Buff theory; free energy calculations;

    Sammanfattning : Essentially all chemical processes and reactions occurring in the environment take place in the presence of ions. In water, ions set the conditions for how other dissolved particles interact. Ions are also directly involved in chemical reactions affecting the climate such as ozone depletion. LÄS MER

  7. 5. From Static Structures to Free Energy Landscapes: Characterizing Conformational Transitions in Biological Macromolecules

    Författare :Cathrine Bergh; Erik Lindahl; Gerhard Hummer; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Protein conformational transitions; molecular dynamics simulations; statistical mechanics; ion channels; Proteinkonformationsövergångar; molekyldynamiksimuleringar; statistisk mekanik; jonkanaler;

    Sammanfattning : To be alive means to temporarily counteract the fundamental dispersive driving force described by the second law of thermodynamics, eventually leading all systems to decay and disorder. In cells, this task is partly carried out by proteins - small specialized molecular machines that utilize free energy to maintain the proper functioning of the cell. LÄS MER