Search for dissertations about: "force field"

Showing result 1 - 5 of 467 swedish dissertations containing the words force field.

2. 1. Surface interactions and adsorbate structures : An atomic force microscopy study

   Author : Goran Bogdanovic; KTH; []
   Keywords : atomic force microscope; AFM; cantilever calibration; colloidal probe; surface force; force curve; friciton; hydrophobic; adhesion; roughness; multilayer; silica; cellulose; cationic polyelectrolyte; MAPTAC;

   Abstract : Atomic force microscopy, AFM, was used for studying somecurrent topics in the field of surface and colloid science. Themain topics addressed in this thesis were: the nature of thelong-range attraction between hydrophobic surfaces; slidingfriction behavior for microscopic contacts; and interfacialstructuring of polyelectrolyte-nanoparticle multilayerfilms. READ MORE

4. 2. Alexandria: A General Drude Polarizable Force Field with Spherical Charge Density

   Author : Mohammad Mehdi Ghahremanpour; David Van der Spoel; Kresten Lindorff-Larsen; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Molecular mechanics; Force field; Drude oscillator model; Alexandria library; GROMACS; Physics with specialization in Biophysics; Fysik med inriktning mot biofysik;

   Abstract : Molecular-mechanical (MM) force fields are mathematical functions that map the geometry of a molecule to its associated energy. MM force fields have been extensively used for an atomistic view into the dynamic and thermodynamics of large molecular systems in their condensed phase. READ MORE

5. 3. Force measurements using scanning probe microscopy : Applications to advanced powder processing

   Author : Anders Meurk; KTH; []
   Keywords : atomic force microscope; AFM; SPM; van der Waals interaction; DLVO-theory; surface forces; colloidal probe; force curve; friction; adhesion; stick-slip; cantilever; calibration; spring constant; silicon nitride; iron; silica;

   Abstract : The object of this thesis is to apply scanning probemicroscopy (SPM) to the field of advanced powder processing.Measurement of interparticle surface forces at conditionsrelevant to ceramic processing has been performed together withthorough studies of powder friction. READ MORE

6. 4. Fighting microbial infections with force fields: Evaluating conformational ensembles of intrinsically disordered proteins

   Author : Stephanie Jephthah; Beräkningskemi; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; molecular dynamics; force field; Monte Carlo; coarse-grained modeling; simulation; intrinsically disordered protein; histatin 5; small-angle x-ray scattering; circular dichroism; atomistic MD simulations; all-atom protein models;

   Abstract : The main goal of this compilation thesis has been to investigate the conformational ensemble of the intrinsically disordered protein (IDP) histatin 5 by using a mixture of experimental and computational techniques including, but not limited to, small-angle X-ray scattering (SAXS), circular dichroism (CD) spectroscopy, atomistic molecular dynamics (MD) simulations, and coarse-grained Monte Carlo (MC) simulations. Histatin 5 is a peptide of particular interest for two reasons. READ MORE

7. 5. Force Budget Analysis of Glacier Flow : Ice Dynamical Studies on Storglaciären, Sweden, and Ice Flow Investigations of Outlet Glaciers in Dronning Maud Land, Antarctica

   Author : Jim Hedfors; Veijo Pohjola; Else Kolstrup; Niels Reeh; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Physical geography and sedimentology; force budget; ice flux; ice dynamics; mass balance; strain heating; climate change; Storglaciären; Dronning Maud Land; Antarctica; Naturgeografi och sedimentologi; Physical geography; Naturgeografi;

   Abstract : This thesis contributes to the understanding of glacier response to climate change by ice dynamical studies on Storglaciären, Sweden, and Bonnevie-Svendsenbreen, Kibergbreen and Plogbreen in Dronning Maud Land, Antarctica. Ice surface velocities, ice geometry and temperature information is fed through a force budget model to calculate ice mass outflux of these glacial systems via three-dimensional stress distributions for a flux-gate. READ MORE