Sökning: "repulsion modeling"

Visar resultat 1 - 5 av 7 avhandlingar innehållade orden repulsion modeling.

  1. 1. Modeling of intra- and intermolecular potentials

    Författare :Stevica Brdarski; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; N-formylglycinamide; formamide; water dimer; quantum chemistry; molecular dynamics simulations; repulsion modeling; perturbation theory; NEMO; molecular interactions; Teoretisk kemi; kvantkemi;

    Sammanfattning : Modeling of interactions between molecules is investigated by theoretical means within the NEMO model. The model is based on a partitioning of the interaction energy at the Hartree-Fock level into first- and second-order perturbation theory. The interaction energy is given as a sum of electrostatic, induction, repulsion, and dispersion energies. LÄS MER

  3. 2. Modeling of aerodynamic particle interaction

    Författare :Asim Jadoon; Strömningsteknik; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY;

    Sammanfattning : The purpose of the current study is to investigate the effect of particle-pair interaction for various separation distances and angular positions. The results obtained are used in a particle-laden turbulent jet flows in order to improve the existing Lagrangian Particle Tracking (LPT) models. LÄS MER

  4. 3. Anisotropic Protein Interactions in Salt Solutions and at Interfaces: Coarse Grained Modeling

    Författare :Anil Kurut Sabanoglu; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Anisotropic interactions; protein electrostatics; phase association; surface adsorption; coarse grained models; Monte Carlo simulations;

    Sammanfattning : Anisotropic protein interactions have a strong orientation dependence resulting from an uneven distribution of charged and hydrophobic residues on the protein surface. They play an important role in protein behaviors such as protein association, surface adsorption and phase separation. LÄS MER

  5. 4. Attraction Based Models of Collective Motion

    Författare :Daniel Strömbom; David J. T. Sumpter; Andreas Deutsch; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; flocking; swarming; self-propelled particles; alignment-free models; agent-based modelling; leaf-cutting ant traffic; sheep-sheepdog system; the Shepherding problem; Mathematics with specialization in Applied Mathematics; Matematik med inriktning mot tillämpad matematik;

    Sammanfattning : Animal groups often exhibit highly coordinated collective motion in a variety of situations. For example, bird flocks, schools of fish, a flock of sheep being herded by a dog and highly efficient traffic on an ant trail. LÄS MER

  7. 5. Colloidal interactions obtained from total internal reflection microscopy measurements and scattering data

    Författare :Moheb Nayeri; Göteborgs universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; total internal reflection microscopy; colloidal stability; van der Waals interaction; Debye length; surfactants; depletion; scattering; colloidal stability;

    Sammanfattning : The scattering of radiation can be used to extract information about the interactions between colloidal (10^{-7}-10^{-3} cm radius) particles suspended in liquids. As colloidal interactions incorporate entropic effects they are weak and while system specific they are governed by a number of general mechanisms. LÄS MER