Free energy calculations for rings and chains formed by dipolar hard spheres / Ronti Michela,Rovigatti Lorenzo,Tavares Jose M.,Ivanov Alexey O.,Kantorovich Sofia S.,Sciortino Francesco // SOFT MATTER. - 2017. - V. 13, l. 43. - P. 7870-7878.

ISSN/EISSN:

1744-683X / 1744-6848

Type:

Article

Abstract:

We employ a method based on Monte Carlo grand-canonical simulations to precisely calculate partition functions of non-interacting chains and rings formed by dipolar hard spheres (DHS) at low temperature. The extended low temperature region offered by such cluster calculations, compared to what had been previously achieved with standard simulations, opens up the possibility of exploring a part of the DHS phase diagram which was inaccessible before. The reported results offer the unique opportunity of verifying well-established theoretical models based on the ideal gas of cluster approximation in order to clarify their range of validity. They also provide the basis for future studies in which cluster-cluster interactions will be included.

Author keywords:

LIQUID-VAPOR COEXISTENCE; MAGNETIC HYPERTHERMIA; MONTE-CARLO; NANOPARTICLES; COLLOIDS; FERROFLUIDS; PARTICLES; FLUID; TRANSITION; PHASE

DOI:

10.1039/c7sm01692a

Web of Science ID:

ISI:000414781400007

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	NOV 21
Publisher	ROYAL SOC CHEMISTRY
Address	THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND
Language	English
EISSN	1744-6848
Keywords-Plus	LIQUID-VAPOR COEXISTENCE; MAGNETIC HYPERTHERMIA; MONTE-CARLO; NANOPARTICLES; COLLOIDS; FERROFLUIDS; PARTICLES; FLUID; TRANSITION; PHASE
Research-Areas	Chemistry; Materials Science; Physics; Polymer Science
Web-of-Science-Categories	Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science
Author-Email	michela.ronti@univie.ac.at
ResearcherID-Numbers	Rovigatti, Lorenzo/K-2665-2012
ORCID-Numbers	Rovigatti, Lorenzo/0000-0001-5017-2829 Ronti, Michela/0000-0001-6890-2623 Tavares, Jose/0000-0002-1509-9707
Funding-Acknowledgement	Austrian Research Fund (FWF) {[}Y 627-N27]; DFG-RFBR DFG {[}OD 18/24-1]; Ministry of Education and Science of the Russian Federation {[}02.A03.21.006, 3.1438.2017/4.6]; Fundacao para a Ciencia e Tecnologia (Portugal) {[}EXCL/FIS-NAN/0083/2012, UID/FIS/00618/2013]; ETNCOLLDENSE (H-MSCA-ITN) {[}642774]
Funding-Text	This research has been partially supported by the Austrian Research Fund (FWF): START-Projekt Y 627-N27. S.S.K. is supported by DFG-RFBR DFG Ref. No. OD 18/24-1. S.S.K. and A.O.I. gratefully acknowledge research funding from the Ministry of Education and Science of the Russian Federation (Contract No. 02.A03.21.006, Project No. 3.1438.2017/4.6). J.M.T. acknowledges financial support from the Fundacao para a Ciencia e Tecnologia (Portugal) through contracts no. EXCL/FIS-NAN/0083/2012 and UID/FIS/00618/2013. Authors are grateful to the Ural Federal University stimulating programme. M.R., F.S. and S.S.K. acknowledge support from ETNCOLLDENSE (H2020-MSCA-ITN-2014, Grant No. 642774).
Number-of-Cited-References	73
Journal-ISO	Soft Matter
Doc-Delivery-Number	FM1ZB