Search for dissertations about: "functional surfaces"

Showing result 6 - 10 of 344 swedish dissertations containing the words functional surfaces.

  2. 6. Nonlocal Correlations in Density Functional Theory

    Author : Henrik Rydberg; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; bonding; GGA; adhesion; graphene; DFT; exchange; adsorption; LDA; first principles; polarization; vdW; determinants; correlation; graphite; surface states; van der Waals; density-functional theory; physisorption; nonlocal; functional;

    Abstract : In Density Functional Theory, the widely used local and semilocal approximations to the exchange-correlation energy, the local density approximation (LDA) and the generalized gradient approximations (GGAs), lack a physical description of truly nonlocal correlation effects, which are absolutely essential for a proper description of soft matter. A scheme is proposed that provides a basis for systematic improvements beyond LDA and GGA, including correlations at intermediate and long range, giving rise to bonds of pure van der Waals type as well as more intricate, intermediate-range correlation bonds. READ MORE

  4. 7. Efficient Density-Functional-Based Calculational Methods for Surfaces

    Author : Lennart Bengtsson; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; potential energy surfaces; pseudopotentials; surface physics; density functional theory; optimization techniques; computer simulations;

    Abstract : During the last decades, computer simulations have become an important tool for the study of elementary surface processes, such as atomic and molecular adsorption, diffusion of ad-atoms and surface recombination. The knowledge gained by such studies can be used to understand and develop technologically important processes such as catalysis and crystal growth. READ MORE

  5. 8. Phthalocyanines on Surfaces : Monolayers, Films and Alkali Modified Structures

    Author : Katharina Nilson; Carla Puglia; Joachim Schiessling; Emmanuelle Göthelid; Nils Mårtensson; Guy Le Lay; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Atomic and molecular physics; Phthalocyanines; Surface Science; X-ray Photoelectron Spectroscopy XPS ; X-ray Absorption Spectroscopy XAS ; Scanning Tunneling Microscopy STM ; Density Functional Theory DFT ; Metal-free Phthalocyanine; Iron Phthalocyanine; Zinc Phthalocyanine; Gold; Graphite; Aluminium; Indium Antimony; Molecular adsorption; Monolayer; Film; Alkali; Geometrical structure; Electronic structure; Doping; Atom- och molekylfysik; Physics; Fysik;

    Abstract : The Phthalocyanines (Pc’s) are a group of macro-cyclic molecules, widely investigated due to the possibility to use them in a variety of applications. Electronic and geometrical structure investigations of molecular model systems of Pc’s adsorbed on surfaces are important for a deeper understanding of the functionality of different Pc-based devices. READ MORE

  6. 9. On Characterization and Optimization of Engineering Surfaces

    Author : Vijeth Venkataram Reddy; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Stylus Profilometer; Manufacturing; Coherence Scanning Interferometer; Regression; Areal surface parameters; Characterization; Functional surfaces; Surface profile parameters;

    Abstract : Swedish manufacturing industry in collaboration with academia is exploring innovative ways to manufacture eco-efficient and resource efficient products. Consequently, improving manufacturing efficiency and quality has become the priority for the manufacturing sector to remain competitive in a sustainable way. READ MORE

  7. 10. Road Surface and Tyre Interaction : Functional Properties affecting Road Dust Load Dynamics and Storage

    Author : Joacim Lundberg; Sigurdur Erlingsson; Mats Gustafsson; Xavier Querol; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Road dust; Road abrasion wear; Studded tyre abrasion wear; Texture; Emissions; Abrasion wear model; NORTRIP; PM10; Particles; Stone Mastic Asphalt – SMA; Porous Pavements; Double Layered Porous Asphalt Concrete – DLPAC; Road traffic noise; Rolling Resistance; Friction; Holistic; Function; Functional properties; Functional demands; Temporal variation; Spatial variation; Vägdamm; Vägslitage; Dubbdäcksslitage; Textur; Emissioner; Slitagemodell; NORTRIP; PM10; Partiklar; Asfaltsbetong; stenrik - ABS; Dränerande beläggning; Dubbeldränerande beläggning; Buller; Rullmotstånd; Friktion; Holistisk; Funktion; Funktionskrav; Tidsvariation; Rumsvariation; Byggvetenskap; Civil and Architectural Engineering; Building Materials; Byggnadsmaterial;

    Abstract : Luftburna partiklar (PM) är ett problem för människans hälsa, där flertalet samband mellan negativa hälsoeffekter finns mellan luftföroreningar finns, bland annat för respiratoriska sjukdomar, lungcancer och kardiovaskulära sjukdomar med flera. I länder där dubbdäck används, till exempel Sverige, Finland och Norge, och sandning av vägar och gator genomförs vintertid för att säkerställa god friktion kommer en betydande andel av partiklarna från vägslitage och nedkrossning av sand vilket bidrar till PM10. READ MORE