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