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

被引：14

作者：

Ronti, Michela ^{[1
]}

Rovigatti, Lorenzo ^{[2
,3
]}

Tavares, Jose M. ^{[4
,5
]}

Ivanov, Alexey O. ^{[6
,7
]}

Kantorovich, Sofia S. ^{[1
,6
]}

Sciortino, Francesco ^{[3
]}

机构：

[1] Univ Vienna, Sensengasse 8, A-1090 Vienna, Austria

[2] CNR, ISC, Uos Sapienza, Piazzale A Moro 2, I-00185 Rome, Italy

[3] Univ Roma La Sapienza, Piazzale Aldo Moro 2, I-00185 Rome, Italy

[4] Univ Lisbon, Fac Ciencias, Ctr Fis Teor & Computac, P-1749016 Lisbon, Portugal

[5] ISEL, Rua Conselheiro Emidio Navarro 1, P-1950062 Lisbon, Portugal

[6] Ural Fed Univ, Lenin Av 51, Ekaterinburg 620000, Russia

[7] UB RAS, MN Mikheev Inst Met Phys, S Kovalevskaya Str 18, Ekaterinburg, Russia

来源：

SOFT MATTER | 2017年 / 13卷 / 43期

关键词：

LIQUID-VAPOR COEXISTENCE; MAGNETIC COLLOIDS; FLUID; NANOPARTICLES; TRANSITION; PHASE; ASSOCIATION; SIMULATION; PARTICLES; MEDIATORS;

D O I：

10.1039/c7sm01692a

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：7870 / 7878

页数：9

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