Jump to main content
Jump to site search


Free energy calculations for rings and chains formed by dipolar hard spheres

Author affiliations

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.

Graphical abstract: Free energy calculations for rings and chains formed by dipolar hard spheres

Back to tab navigation

Publication details

The article was received on 22 Aug 2017, accepted on 02 Oct 2017 and first published on 04 Oct 2017


Article type: Paper
DOI: 10.1039/C7SM01692A
Citation: Soft Matter, 2017, Advance Article
  • Open access: Creative Commons BY license
  •   Request permissions

    Free energy calculations for rings and chains formed by dipolar hard spheres

    M. Ronti, L. Rovigatti, J. M. Tavares, A. O. Ivanov, S. S. Kantorovich and F. Sciortino, Soft Matter, 2017, Advance Article , DOI: 10.1039/C7SM01692A

    This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements