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Comparison of structure and transport properties of concentrated hard and soft sphere fluids

Comparison of structure and transport properties of concentrated hard and soft sphere fluids

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LANGE, Erik, Jose B. CABALLERO, Antonio M. PUERTAS, Matthias FUCHS, 2009. Comparison of structure and transport properties of concentrated hard and soft sphere fluids. In: Journal of chemical physics. 130, 174903. Available under: doi: 10.1063/1.3124182

@article{Lange2009Compa-4999, title={Comparison of structure and transport properties of concentrated hard and soft sphere fluids}, year={2009}, doi={10.1063/1.3124182}, volume={130}, journal={Journal of chemical physics}, author={Lange, Erik and Caballero, Jose B. and Puertas, Antonio M. and Fuchs, Matthias}, note={Article Number: 174903} }

<rdf:RDF xmlns:dcterms="http://purl.org/dc/terms/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bibo="http://purl.org/ontology/bibo/" xmlns:dspace="http://digital-repositories.org/ontologies/dspace/0.1.0#" xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:void="http://rdfs.org/ns/void#" xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > <rdf:Description rdf:about="https://kops.uni-konstanz.de/rdf/resource/123456789/4999"> <bibo:uri rdf:resource="http://kops.uni-konstanz.de/handle/123456789/4999"/> <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-03-24T14:52:24Z</dc:date> <dcterms:abstract xml:lang="eng">Using Newtonian and Brownian dynamics simulations, the structural and transport properties of hard and soft spheres have been studied. The soft spheres were modeled using inverse power potentials (V~r−n, with 1/n the potential softness) Although, at constant density, the pressure, diffusion coefficient, and viscosity depend on the particle softness up to extremely high values of n, we show that scaling the density with the freezing point for every system effectively collapses these parameters for n≥ 18 (including hard spheres) or large densities. At the freezing points, the long range structure of all systems is identical, when length is measured in units of the interparticle distance, but differences appear at short distances (due to the different shapes of the interaction potential). This translates into differences at short times in the velocity and stress autocorrelation functions, although they concur to give the same value of the corresponding transport coefficient (for the same density to freezing ratio); the microscopic dynamics also affects the short time behavior of the correlation functions and absolute values of the transport coefficients, but the same scaling with the freezing density works for Newtonian or Brownian dynamics. For hard spheres, the short time behavior of the stress autocorrelation function has been studied in detail, confirming quantitatively the theoretical forms derived for it.</dcterms:abstract> <dc:creator>Puertas, Antonio M.</dc:creator> <dcterms:rights rdf:resource="https://rightsstatements.org/page/InC/1.0/"/> <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-03-24T14:52:24Z</dcterms:available> <dc:creator>Fuchs, Matthias</dc:creator> <dcterms:title>Comparison of structure and transport properties of concentrated hard and soft sphere fluids</dcterms:title> <dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/41"/> <dcterms:hasPart rdf:resource="https://kops.uni-konstanz.de/bitstream/123456789/4999/1/comparision_lange.pdf"/> <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/> <dcterms:issued>2009</dcterms:issued> <dc:format>application/pdf</dc:format> <dcterms:bibliographicCitation>First publ. in: Journal of chemical physics, 130 (2009), 174903</dcterms:bibliographicCitation> <dc:contributor>Lange, Erik</dc:contributor> <dc:creator>Lange, Erik</dc:creator> <dspace:hasBitstream rdf:resource="https://kops.uni-konstanz.de/bitstream/123456789/4999/1/comparision_lange.pdf"/> <dc:contributor>Fuchs, Matthias</dc:contributor> <dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/41"/> <dc:creator>Caballero, Jose B.</dc:creator> <dc:rights>terms-of-use</dc:rights> <dc:contributor>Puertas, Antonio M.</dc:contributor> <foaf:homepage rdf:resource="http://localhost:8080/jspui"/> <dc:language>eng</dc:language> <dc:contributor>Caballero, Jose B.</dc:contributor> </rdf:Description> </rdf:RDF>

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