Sökning: "FREE-ENERGIES"

Visar resultat 1 - 5 av 43 avhandlingar innehållade ordet FREE-ENERGIES.

  1. 1. Atomic-scale investigation of interfacial structures in WC-Co at finite temperatures

    Författare :Erik Fransson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; complexions; phase diagrams; interfaces; force constants; cluster expansions; atomic-scale modeling; free energies; cemented carbides; WC--Co;

    Sammanfattning : WC-Co cemented carbides combine superb hardness with high toughness making them ideal for usage in high-speed machining of steels and in wear resistance tools. These excellent mechanical properties are to a large extent dependent on the microstructure and thus the interfacial properties of the material. LÄS MER

  3. 2. Temperature dependent atomic-scale modeling of interfaces in cemented carbides

    Författare :Martin Gren; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; hardmetals; analytical bond order potential; wetting; WC-Co; density functional theory; free energies; interfaces; complexions; cemented carbides; phase diagram;

    Sammanfattning : Material properties can now be calculated directly from first principles using density functional theory (DFT) which has a great predictive power and can, in cases that are difficult to approach experimentally, provide crucial insights on the atomic and electronic level. Such cases include the thermodynamics of interfaces and surfaces which are crucial factors for the structure and macroscopic properties of many materials, where cemented carbides are one example. LÄS MER

  4. 3. Computational methods for calculating binding free energies of ligands in COX-1

    Författare :Yasmin Shamsudin Khan; Johan Åqvist; Jens Carlsson; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : .... LÄS MER

  5. 4. Computational investigation of interface structure and composition in cemented carbides at finite temperatures

    Författare :Erik Fransson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Molecular dynamics; Hard Metals; Interfacial free energies; Monte Carlo; Cemented carbides; Force constants; Cluster expansion;

    Sammanfattning : WC-Co cemented carbides combine superb hardness with high toughness making them ideal for usage in high-speed machining of steels and in wear resistance tools. These excellent mechanical properties are to a large extent dependent on the microstructure and thus the interfacial properties of the material. LÄS MER

  7. 5. Towards the enhanced applicability of cold mix asphalt: : An experimental study focusing on surface free energies and the breaking and coalescence of bitumen emulsions

    Författare :Abdullah Khan; Nicole Kringos; Per Redelius; Andreas Loizos; KTH; []
    Nyckelord :Bitumen; Cold Asphalt Mixtures; Minerals Aggregates; Surface Free Energy; Sorption; Contact Angle; Bitumen Emulsions; Breaking and Coalescence; Emulsifiers; Adhesion Promoters.; Bitumen; kallblandad asfalt; mineraler aggregat; fri ytenergi; sorption; kontaktvinkel; Bitumenemulsioner; brytning och koalescensen; emulgatorer; adhesionsegenskaper; Byggvetenskap; Civil and Architectural Engineering;

    Sammanfattning : The environmental, social and economic sustainability of our infrastructure network is clearly of paramount importance to the road-engineering sector as well to society at large. Sustainable road materials and reduced transport of those materials therefore play a significant role. LÄS MER