Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Simulations of Materials: Clusters and Interfacial Junctions
Abstract The emergence of computers as high-powered research tools, and the development and proliferation of computer-based modeling and simulations, coupled with microscopies with atomic scale resolution, add new dimensions to our capabilities to explore materials systems and phenomena. We review quantum and classical molecular dynamics simulations, illustrating the insights gained by such studies, for a broad range of systems. Case studies discussed include: quantum simulations of fission dynamics of charged atomic clusters, metallization of finite alkali-halide clusters, energetics and structure of solvation of alkali-metal atoms in water clusters, collision dynamics of nanoclusters with solid and liquid surfaces, stability of nanostructures deposited on a surface, investigations of the consequences of interfacial adhesive interactions leading to the formation of intermetallic junctions, and the molecular mechanisms of capillary processes.
Simulations of Materials: Clusters and Interfacial Junctions
Abstract The emergence of computers as high-powered research tools, and the development and proliferation of computer-based modeling and simulations, coupled with microscopies with atomic scale resolution, add new dimensions to our capabilities to explore materials systems and phenomena. We review quantum and classical molecular dynamics simulations, illustrating the insights gained by such studies, for a broad range of systems. Case studies discussed include: quantum simulations of fission dynamics of charged atomic clusters, metallization of finite alkali-halide clusters, energetics and structure of solvation of alkali-metal atoms in water clusters, collision dynamics of nanoclusters with solid and liquid surfaces, stability of nanostructures deposited on a surface, investigations of the consequences of interfacial adhesive interactions leading to the formation of intermetallic junctions, and the molecular mechanisms of capillary processes.
Simulations of Materials: Clusters and Interfacial Junctions
Landman, Uzi (Autor:in) / Barnett, R. N. (Autor:in) / Cheng, H.-P. (Autor:in) / Cleveland, C. L. (Autor:in) / Luedtke, W. D. (Autor:in)
01.01.1993
39 pages
Aufsatz/Kapitel (Buch)
Elektronische Ressource
Englisch
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