Sökning: "Monte Carlo investigation"
Visar resultat 11 - 15 av 71 avhandlingar innehållade orden Monte Carlo investigation.
11. Fighting microbial infections with force fields: Evaluating conformational ensembles of intrinsically disordered proteins
Sammanfattning : 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. LÄS MER
12. Titania Nanoscale Films and Surfaces : Surface Science Investigation of Structure and Properties
Sammanfattning : This thesis presents surface science studies, investigating several aspects of titanium dioxide at the atomic scale. The greater part of this work is devoted to the preparation by chemical vapor deposition (CVD) of titanium(IV) tetraisopropoxide (TTIP) of ultrathin TiO2 or TiOx films on Au(111). LÄS MER
13. Investigation of Nuclear Materials with Positron Measurements
Sammanfattning : Positron Annihilation Lifetime Spectroscopy can be used to characterize radia- tion-induced material defects to subsequently optimize nuclear materials with respect to radiation damage. Nuclear Systems of the future such as Generation IV and fusion concepts demand high performance from structural materials, comprising a material's stability in highly-radiative and hot environments. LÄS MER
14. Computer Simulations in Materials Physics: Time-scales and Accuracy
Sammanfattning : Computer simulations are expected to play an increasingly important role within materials physics in the future. Owing to a combination of accurate physical approximations, improved implementations of these approximations, and the exponentially increasing power of computers, problems can now be solved on length and time-scales which were unimaginable only a decade ago. LÄS MER
15. Theory of Disordered Magnets
Sammanfattning : Studying magnetic properties of disordered alloys is important both for the understanding of phase transformations in alloys and from the point of view of fundamental issues of magnetism in solids. Disorder in a magnetic system can result in unconventional magnetic structures, such as spin glass, which have rather peculiar features. LÄS MER