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Branching points in the low-temperature dipolar hard sphere fluid

2013-10-07Journal article Open access
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dc.contributor.authorRovigatti, Lorenzo
dc.contributor.authorKantorovich, Sofia S.
dc.contributor.authorIvanov, Alexey O.
dc.contributor.authorTavares, Jose
dc.contributor.authorSCIORTINO, Francesco
dc.date.accessioned2013-11-07T18:44:34Z
dc.date.available2013-11-07T18:44:34Z
dc.date.issued2013-10-07
dc.description.abstractIn this contribution, we investigate the low-temperature, low-density behaviour of dipolar hard-sphere (DHS) particles, i.e., hard spheres with dipoles embedded in their centre. We aim at describing the DHS fluid in terms of a network of chains and rings (the fundamental clusters) held together by branching points (defects) of different nature. We first introduce a systematic way of classifying inter-cluster connections according to their topology, and then employ this classification to analyse the geometric and thermodynamic properties of each class of defects, as extracted from state-of-the-art equilibrium Monte Carlo simulations. By computing the average density and energetic cost of each defect class, we find that the relevant contribution to inter-cluster interactions is indeed provided by (rare) three-way junctions and by four-way junctions arising from parallel or anti-parallel locally linear aggregates. All other (numerous) defects are either intra-cluster or associated to low cluster-cluster interaction energies, suggesting that these defects do not play a significant part in the thermodynamic description of the self-assembly processes of dipolar hard spheres. (C) 2013 AIP Publishing LLC.por
dc.identifier.citationROVIGATTI, Lorenzo; KANTOROVICH, Sofia; IVANOV, Alexey O.; TAVARES, Jose Maria; SCIORTINO, Francesco - Branching points in the low-temperature dipolar hard sphere fluid. Journal of Chemical Physics. ISSN 0021-9606. Vol. 139, nr. 13 (2013).por
dc.identifier.issn0021-9606
dc.identifier.other10.1063/1.4821935
dc.identifier.urihttp://hdl.handle.net/10400.21/2884
dc.language.isoengpor
dc.peerreviewedyespor
dc.publisherAmer Inst Physicspor
dc.relation.ispartofseries134901
dc.subjectLiquid-phasepor
dc.subjectMonte-Carlopor
dc.subjectGaspor
dc.subjectFerrofluidspor
dc.subjectTransitionpor
dc.subjectParticlespor
dc.subjectClusterspor
dc.subjectColloidspor
dc.titleBranching points in the low-temperature dipolar hard sphere fluidpor
dc.typejournal article
dspace.entity.typePublication
oaire.citation.conferencePlaceMelvillepor
oaire.citation.issue13por
oaire.citation.titleJournal of Chemical Physicspor
oaire.citation.volume139por
person.familyNameRovigatti
person.familyNameTavares
person.familyNameSCIORTINO
person.givenNameLorenzo
person.givenNameJose
person.givenNameFrancesco
person.identifier.ciencia-id371D-51C6-975C
person.identifier.orcid0000-0001-5017-2829
person.identifier.orcid0000-0002-1509-9707
person.identifier.orcid0000-0002-2418-2713
person.identifier.ridA-2891-2009
person.identifier.scopus-author-id35621140500
person.identifier.scopus-author-id7005775345
rcaap.rightsrestrictedAccesspor
rcaap.typearticlepor
relation.isAuthorOfPublication8b210448-ead8-4774-8314-98cfa9d902ee
relation.isAuthorOfPublication21fb8ec6-5b23-4df8-ba97-32256495d24d
relation.isAuthorOfPublication93c349ba-3823-4ecd-849d-be1538627a33
relation.isAuthorOfPublication.latestForDiscovery21fb8ec6-5b23-4df8-ba97-32256495d24d

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