Sökning: "coarse-grained material"

Visar resultat 1 - 5 av 28 avhandlingar innehållade orden coarse-grained material.

  1. 1. Electrostatic Interactions in Coarse-Grained Simulations : Implementations and Applications

    Författare :Yong-Lei Wang; Aatto Laaksonen; Christian Holm; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; dissipative particle dynamics; electrostatic interaction; ionic liquid; coarse-grained model; fysikalisk kemi; Physical Chemistry;

    Sammanfattning : Electrostatic interactions between charged species play a prominent role in determining structures and states of physical system, leading to important technological and biological applications. In coarse-grained simulations, accurate description of electrostatic interactions is crucial in addressing physical phenomena at larger spatial and longer temporal scales. LÄS MER

  3. 2. Development of Nanostructured Tungsten Based Composites for Energy Applications

    Författare :Mazher Ahmed Yar; Mamoun Muhammed; Per-Olov Käll; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Tungsten; Nano-tungsten; ODS tungsten; W-La2O3; W-Y2O3; SPS; Plasma-facing materials; Armour material; fusion material;

    Sammanfattning : Tungsten (W) based materials can be used in fusion reactors due to several advantages. Different fabrication routes can be applied to develop tungsten materials with intended microstructure and properties for specific application including nanostructured grades. LÄS MER

  4. 3. Improved understanding of sublevel blasting : Determination of the extent of the compacted zone, its properties and the effects on caving

    Författare :Nikolaos Petropoulos; Daniel Johansson; Luleå tekniska universitet; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; sublevel mining; compaction; confining material; confined blast; impact tests; burden dynamics; coarse-grained material; Mining and Rock Engineering; Gruv- och berganläggningsteknik;

    Sammanfattning : Sublevel caving (SLC) is a mass mining method relying on the flowability of the blasted material. The ore is blasted in slices against caved material which is mainly waste rock. The result of the confined blast is greatly influenced by the interaction between the blasted material and the caved material. LÄS MER

  5. 4. Development of large-scale molecular and nanomaterial models

    Författare :Mikhail Ivanov; Alexander P. Lyubartsev; Arnold Maliniak; Herre Jelger Risselada; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular simulations; Coarse-grained models; Lipids; TiO2 surface; Machine learning; Physical Chemistry; fysikalisk kemi;

    Sammanfattning : Molecular simulations can access unique atomic-scale information about new materials, pharmaceuticals, and biological environments, making cost-effective predictions and aiding experimental studies. They are particularly useful for describing the mechanisms of nanoscale phenomena and the biological/inorganic interfaces. LÄS MER

  7. 5. Electrostatically Driven Structure Formation in Clay Dispersions

    Författare :Maria Jansson; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Lera; Montmorillonit; Laponite®; Taktoid; Anisotropi; Överladdning; Interkalering; Grov korninga modeller; MD simuleringar; MC simuleringar; SAXS; Svälltryck; zeta-potential; Clay; Montmorillonite; Laponite®; Nanoplatelets; Tactoid; Anisotropy; Overcharging; Intercalation; Coarse-grained modeling; MD simulations; MC simulations; SAXS; Swelling pressure; zeta-potential;

    Sammanfattning : Clay minerals consist of clay platelets, which are anisotropic in both size and charge, and these can form a lamellar structure depending on the size, making it a seemingly perfect model system for an electrical double layer. The situation is however, from a structural point, slightly less ideal. LÄS MER