Branching points in the low-temperature dipolar hard sphere fluid / Rovigatti Lorenzo,Kantorovich Sofia,Ivanov Alexey O.,Tavares Jose Maria,Sciortino Francesco // JOURNAL OF CHEMICAL PHYSICS. - 2013. - V. 139, l. 13.

ISSN/EISSN:
0021-9606 / 1089-7690
Type:
Article
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. (C) 2013 AIP Publishing LLC.
Author keywords:
LIQUID-PHASE; MONTE-CARLO; GAS; FERROFLUIDS; TRANSITION; PARTICLES; CLUSTERS; COLLOIDS
DOI:
10.1063/1.4821935
Web of Science ID:
ISI:000325503300034
Соавторы в МНС:
Другие поля
Поле Значение
Month OCT 7
Publisher AMER INST PHYSICS
Address CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA
Language English
Article-Number 134901
EISSN 1089-7690
Keywords-Plus LIQUID-PHASE; MONTE-CARLO; GAS; FERROFLUIDS; TRANSITION; PARTICLES; CLUSTERS; COLLOIDS
Research-Areas Chemistry; Physics
Web-of-Science-Categories Chemistry, Physical; Physics, Atomic, Molecular \& Chemical
ResearcherID-Numbers Kantorovich, Sofia/H-4586-2011 Ivanov, Alexey/E-4442-2011 Tavares, Jose/A-2891-2009 Physics Department, ISEL/F-6664-2010 Rovigatti, Lorenzo/K-2665-2012
ORCID-Numbers Kantorovich, Sofia/0000-0001-5700-7009 Ivanov, Alexey/0000-0001-8239-4039 Tavares, Jose/0000-0002-1509-9707 Rovigatti, Lorenzo/0000-0001-5017-2829
Funding-Acknowledgement Ministry of Education and Science of the Russian Federation {[}2.609.2011]; Portuguese Foundation for Science and Technology (FCT) {[}PEstOE/FIS/UI0618/2011, PTDC/FIS/098254/2008]; {[}ERC-226207-PATCHYCOLLOIDS]
Funding-Text L.R., S. K., and F. S. acknowledge support from ERC-226207-PATCHYCOLLOIDS. A.O.I. acknowledges financial support from the Ministry of Education and Science of the Russian Federation under Project No. 2.609.2011. J.M.T. acknowledges financial support from the Portuguese Foundation for Science and Technology (FCT) under Contract Nos. PEstOE/FIS/UI0618/2011 and PTDC/FIS/098254/2008.
Number-of-Cited-References 45
Usage-Count-Last-180-days 1
Usage-Count-Since-2013 32
Journal-ISO J. Chem. Phys.
Doc-Delivery-Number 232OL