Publikation: Structural precursor to freezing : an integral equation study
Lade...
Dateien
Zu diesem Dokument gibt es keine Dateien.
Datum
2008
Autor:innen
Herausgeber:innen
ISSN der Zeitschrift
Electronic ISSN
ISBN
Bibliografische Daten
Verlag
Schriftenreihe
Auflagebezeichnung
URI (zitierfähiger Link)
DOI (zitierfähiger Link)
Internationale Patentnummer
Angaben zur Forschungsförderung
Projekt
Open Access-Veröffentlichung
Sammlungen
Core Facility der Universität Konstanz
Titel in einer weiteren Sprache
Publikationstyp
Zeitschriftenartikel
Publikationsstatus
Published
Erschienen in
Journal of Chemical Physics. 2008, 128, 104503. Available under: doi: 10.1063/1.2889926
Zusammenfassung
Recent simulation studies have drawn attention to the shoulder which forms in the second peak of the radial distribution function of hard spheres at densities close to freezing and which is associated with local crystalline ordering in the dense fluid. We address this structural precursor to freezing using an inhomogeneous integral equation theory capable of describing local packing constraints to a high level of accuracy. The addition of a short-range attractive interaction leads to a well known broadening of the fluid-solid coexistence region as a function of attraction strength. The appearance of a shoulder in our calculated radial distribution functions is found to be consistent with the broadened coexistence region for a simple model potential, thus demonstrating that the shoulder is not exclusively a high density packing effect.
Zusammenfassung in einer weiteren Sprache
Fachgebiet (DDC)
530 Physik
Schlagwörter
freezing, integral equations, liquid structure, liquid theory
Konferenz
Rezension
undefined / . - undefined, undefined
Zitieren
ISO 690
BRADER, Joseph M., 2008. Structural precursor to freezing : an integral equation study. In: Journal of Chemical Physics. 2008, 128, 104503. Available under: doi: 10.1063/1.2889926BibTex
@article{Brader2008Struc-885,
year={2008},
doi={10.1063/1.2889926},
title={Structural precursor to freezing : an integral equation study},
volume={128},
journal={Journal of Chemical Physics},
author={Brader, Joseph M.},
note={Article Number: 104503}
}RDF
<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/server/rdf/resource/123456789/885">
<dc:creator>Brader, Joseph M.</dc:creator>
<dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-03-22T17:51:43Z</dc:date>
<foaf:homepage rdf:resource="http://localhost:8080/"/>
<dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/41"/>
<dcterms:title>Structural precursor to freezing : an integral equation study</dcterms:title>
<dc:rights>terms-of-use</dc:rights>
<dcterms:bibliographicCitation>Publ. in: Journal of Chemical Physics 128 (2008), 104503</dcterms:bibliographicCitation>
<void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/>
<bibo:uri rdf:resource="http://kops.uni-konstanz.de/handle/123456789/885"/>
<dc:language>eng</dc:language>
<dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/41"/>
<dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-03-22T17:51:43Z</dcterms:available>
<dcterms:abstract xml:lang="eng">Recent simulation studies have drawn attention to the shoulder which forms in the second peak of the radial distribution function of hard spheres at densities close to freezing and which is associated with local crystalline ordering in the dense fluid. We address this structural precursor to freezing using an inhomogeneous integral equation theory capable of describing local packing constraints to a high level of accuracy. The addition of a short-range attractive interaction leads to a well known broadening of the fluid-solid coexistence region as a function of attraction strength. The appearance of a shoulder in our calculated radial distribution functions is found to be consistent with the broadened coexistence region for a simple model potential, thus demonstrating that the shoulder is not exclusively a high density packing effect.</dcterms:abstract>
<dc:contributor>Brader, Joseph M.</dc:contributor>
<dcterms:issued>2008</dcterms:issued>
<dcterms:rights rdf:resource="https://rightsstatements.org/page/InC/1.0/"/>
</rdf:Description>
</rdf:RDF>
