Titel
Free energy calculations for rings and chains formed by dipolar hard spheres
Autor*in
Lorenzo Rovigatti
CNR-ISC
Autor*in
José M. Tavares
Centro de Física Teórica e Computacional, Faculdade de Ciências, Universidade de Lisboa
... show all
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.
Objekt-Typ
Sprache
Englisch [eng]
Persistent identifier
https://phaidra.univie.ac.at/o:639879
Erschienen in
Titel
Soft Matter
Band
13
Ausgabe
43
Seitenanfang
7870
Seitenende
7878
Verlag
Royal Society of Chemistry (RSC)
Erscheinungsdatum
2017
Zugänglichkeit
Rechteangabe
© The Royal Society of Chemistry

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