Search for dissertations about: "metal diffusion"

Showing result 1 - 5 of 204 swedish dissertations containing the words metal diffusion.

  1. 1. Insights into Materials Properties from Ab Initio Theory : Diffusion, Adsorption, Catalysis & Structure

    Author : Andreas Blomqvist; Rajeev Ahuja; Christopher Wolverton; Uppsala universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Molecular dynamics; Diffusion; Catalysis; Adsorption; Random structure search; Hydrogen-storage materials; Phase-change materials; Defects and diffusion; Defekter och diffusion; Surfaces and interfaces; Ytor och mellanytor; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : In this thesis, density functional theory (DFT) calculations and DFT based ab initio molecular dynamics simulations have been employed in order to gain insights into materials properties like diffusion, adsorption, catalysis, and structure. In transition metals, absorbed hydrogen atoms self-trap due to localization of metal d-electrons. READ MORE

  2. 2. Hydrogen in nano-sized metals : Diffusion and hysteresis effects

    Author : Wen Huang; Björgvin Hjörvarsson; Max Wolff; Gavin Walker; Uppsala universitet; []
    Keywords : Hydrogen; diffusion; hysteresis; optical technique; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : Metal hydrides can be used as hydrogen storage materials for fuel cells and batteries, and as sensors for detecting hydrogen gas. The use of metal hydrides for hydrogen storage can be hindered by poor kinetics and low capacity. Moreover, poor sensitivity, long recovery and response time, limit the applications of metal hydrides as hydrogen sensors. READ MORE

  3. 3. Mechanisms of metal dusting on stainless steels

    Author : Peter Szakálos; KTH; []
    Keywords : ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; Stainless steels; High temperature corrosion; Metal dusting; Oxidation; Carburization; Carbides; Thermodynamic modelling; Diffusion; Kinetics; Mechanisms; Pressure; Synthesis gas; Carbon monoxide; Nickel base alloys; FeCrA1; Mechanical load; LCF; Materials science; Teknisk materialvetenskap;

    Abstract : .... READ MORE

  4. 4. A Passive Sampling System for Monitoring Metals in the Aquatic Environment

    Author : Lena B Blom; Chalmers University of Technology; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; metal diffusion; metal monitoring; metal speciation; aquatic systems; passive sampling system;

    Abstract : Water monitoring is undertaken routinely as a requirement of water quality legislation. It is usual that water monitoring is undertaken through spot sampling. A passive sampling system has been developed for the aquatic environment that provides time-averaged (integrated) concentrations for metals. READ MORE

  5. 5. Theory of Hydrogen Quantum Diffusion

    Author : Thomas Mattsson; Chalmers University of Technology; []
    Keywords : path-integrals; isotope effect; transition state theory; quantum; diffusion; hydrogen; first-principles calculations; nickel;

    Abstract : Atomic hydrogen adsorbed on a metal surface is one of the simplest possible examples of chemisorption, yet it is very challenging. The adsorption and the very elementary process of surface diffusion, a single atomic jump, have been investigated theoretically using several methods. READ MORE