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http://elar.urfu.ru/handle/10995/26829
Название: | Branching points in the low-temperature dipolar hard sphere fluid |
Авторы: | Rovigatti, L. Kantorovich, S. Ivanov, A. O. Tavares, J. M. Sciortino, F. |
Дата публикации: | 2013 |
Библиографическое описание: | Branching points in the low-temperature dipolar hard sphere fluid / L. Rovigatti, S. Kantorovich, A. O. Ivanov [et al.] // Journal of Chemical Physics. — 2013. — Vol. 139. — № 13. |
Аннотация: | 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. © 2013 AIP Publishing LLC. |
Ключевые слова: | BRANCHING POINTS DIPOLAR HARD SPHERES ENERGETIC COSTS INTERACTION ENERGIES LINEAR AGGREGATES LOW TEMPERATURES SELF ASSEMBLY PROCESS THERMODYNAMIC DESCRIPTION DEFECT DENSITY MONTE CARLO METHODS SPHERES TEMPERATURE LEAKAGE (FLUID) ARTICLE COLD MONTE CARLO METHOD PARTICULATE MATTER COLD TEMPERATURE MONTE CARLO METHOD PARTICULATE MATTER |
URI: | http://elar.urfu.ru/handle/10995/26829 |
Идентификатор SCOPUS: | 84885415562 |
Идентификатор WOS: | 000325503300034 |
Идентификатор PURE: | 858196 |
ISSN: | 0021-9606 |
DOI: | 10.1063/1.4821935 |
Располагается в коллекциях: | Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC |
Файлы этого ресурса:
Файл | Описание | Размер | Формат | |
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scopus-2013-0007.pdf | 1,15 MB | Adobe PDF | Просмотреть/Открыть |
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