Branching points in the low-temperature dipolar hard sphere fluid (Articolo in rivista)

Type
Label
  • Branching points in the low-temperature dipolar hard sphere fluid (Articolo in rivista) (literal)
Anno
  • 2013-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1063/1.4821935 (literal)
Alternative label
  • Lorenzo Rovigatti (1); Sofia Kantorovich (1,2,3); Alexey O. Ivanov (3); José Maria Tavares (4,5); Francesco Sciortino (1,6) (2013)
    Branching points in the low-temperature dipolar hard sphere fluid
    in The Journal of chemical physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Lorenzo Rovigatti (1); Sofia Kantorovich (1,2,3); Alexey O. Ivanov (3); José Maria Tavares (4,5); Francesco Sciortino (1,6) (literal)
Pagina inizio
  • 134901 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://scitation.aip.org/content/aip/journal/jcp/139/13/10.1063/1.4821935 (literal)
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  • 139 (literal)
Rivista
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  • 13 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • (1) Dipartimento di Fisica, Sapienza Università di Roma, Piazzale A. Moro 2, 00185 Roma, Italy (2) University of Vienna, Boltzmanstrasse 5, 1090 Wien, Austria (3) Ural Federal University, Lenin av. 51, 620083, Ekaterinburg, Russia (4) Instituto Superior de Engenharia de Lisboa - ISEL, Rua Conselheiro Emídio Navarro 1, P-1950-062 Lisbon, Portugal (5) Centro de Física Teórica e Computacional, Avenida Professor Gama Pinto 2, P-1649-003 Lisbon, Portugal (6) CNR-ISC, Sapienza Università di Roma, Piazzale A. Moro 2, 00185 Roma, Italy (literal)
Titolo
  • Branching points in the low-temperature dipolar hard sphere fluid (literal)
Abstract
  • In 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. (literal)
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