Sökning: "non-periodic boundary conditions"
Hittade 4 avhandlingar innehållade orden non-periodic boundary conditions.
1. A Theoretical Investigation of the Octapeptide Region in the Human Prion Protein
Sammanfattning : Den kopparbindande egenskapen hos prionproteiner är sannolikt kopplad till proteinets funtion. Det mänskliga prionproteinet innehåller ett kopparbindande oktapeptidområde, där PHGGGWGQ-sekvensen upprepas fyra gånger i följd. LÄS MER
2. Fast methods for electrostatic calculations in molecular dynamics simulations
Sammanfattning : This thesis deals with fast and efficient methods for electrostatic calculations with application in molecular dynamics simulations. The electrostatic calculations are often the most expensive part of MD simulations of charged particles. Therefore, fast and efficient algorithms are required to accelerate these calculations. LÄS MER
3. High-Performance Finite Element Methods : with Application to Simulation of Diffusion MRI and Vertical Axis Wind Turbines
Sammanfattning : The finite element methods (FEM) have been developed over decades, and together with the growth of computer engineering, they become more and more important in solving large-scale problems in science and industry. The objective of this thesis is to develop high-performance finite element methods (HP-FEM), with two main applications in mind: computational diffusion magnetic resonance imaging (MRI), and simulation of the turbulent flow past a vertical axis wind turbine (VAWT). LÄS MER
4. On Computational Homogenization of Fluid-filled Porous Materials
Sammanfattning : Porous materials are present in many natural as well as engineered structures. Engineering examples include filters, sanitary products and foams while examples of natural occurrences are oil reservoirs and biological tissue. LÄS MER