Search for dissertations about: "Computational material science"

Showing result 1 - 5 of 140 swedish dissertations containing the words Computational material science.

  2. 1. Computational Material Design : Diluted Magnetic Semiconductors for Spintronics

    Author : Lunmei Huang; Rajeev Ahuja; Walter Temmerman; Uppsala universitet; []
    Keywords : Physics; Density functional theory; Diluted magnetic semiconductor; Ferromagnetism; Defect; Phase transition; High pressure; Thermal elastic constant; Fysik;

    Abstract : The present thesis deals with the application of ab-initio electronic structure calculations based on density functional theory for material design.The correlation between magnetic properties and electronic structures has been investigated in detail for diluted magnetic semiconductors (DMS), which have promising application for spintronics devices. READ MORE

  4. 2. Computational modelling of structural battery composites

    Author : David Carlstedt; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Finite Element Analysis FEA ; Multifunctional materials; Carbon fibre composites; Thermo-electro-chemo-mechanical coupling; Li-ion batteries;

    Abstract : Batteries and surrounding structures (e.g. battery modules and packs) in electrical vehicles and devices are often designed in a way that prevents the electro-chemically active part of the battery cells from being exposed to mechanical loads during operation/service. READ MORE

  5. 3. Structure-Performance Relations of Oxygen Barriers for Food Packaging

    Author : Åsa Nyflött; Magnus Lestelius; Ellen Moons; Lars Järnström; Carlsson Kvarnlöf Gunilla; Chris Bonnerup; José Maria Lagaron; Karlstads universitet; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Barrier coating; Permeability; Dynamic Mass Transport; Modelling; Diffusion; Polymer; Dispersion; Kaolin; LCA; Starch; Hemicellulose; Materials Science; Materialvetenskap;

    Abstract : Food packaging should ensure the safety and quality of food, minimize spoilage and provide an easy way of storing and handling it. Barrier coatings are generally used to meet the demands placed on fibre-based food packages, as these have the ability to regulate the amount of gases that can enter them. READ MORE

  6. 4. Accelerated granular matter simulation

    Author : Da Wang; Martin Servin; Jin Ooi; Umeå universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; discrete element method; nonsmooth contact dynamics; multibody dynamics; granular media; simulation; projected Gauss-Seidel; validation; iron ore pellets; pelletising balling circuit; model reduction; design optimization;

    Abstract : Modeling and simulation of granular matter has important applications in both natural science and industry. One widely used method is the discrete element method (DEM). It can be used for simulating granular matter in the gaseous, liquid as well as solid regime whereas alternative methods are in general applicable to only one. READ MORE

  7. 5. Variation Simulation Customized for Composites by Including FEM Simulations of Orthotropic Lamina

    Author : Cornelia Jareteg; Göteborgs universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Geometry assurance; FEM; Composites; Shell model; Process variation; Method of Influence Coefficients; Monte Carlo; Orthotropic material; Manufacturing; Tolerance analysis; Variation simulation; Spring-in; Tolerance analysis;

    Abstract : The use of composite materials is increasing in many fields of production. Composite manufacturing, as well as other fields of production, suffers from uncertainties resulting in products that deviate from the specification. Geometry assurance is a common procedure used to keep the variations in product assemblies under control. READ MORE