Hydrodynamic correlations in isotropic fluids and liquid crystals simulated by multi-particle collision dynamics
Multi-particle collision dynamics is an appealing numerical technique aiming at simulating fluids at the mesoscopic scale. It considers molecular details in a coarse-grained fashion and reproduces hydrodynamic phenomena. Here, the implementation of multi-particle collision dynamics for isotropic flu...
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| Datum: | 2019 |
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| 1. Verfasser: | |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
Інститут фізики конденсованих систем НАН України
2019
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| Schriftenreihe: | Condensed Matter Physics |
| Online Zugang: | http://dspace.nbuv.gov.ua/handle/123456789/157474 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | Hydrodynamic correlations in isotropic fluids and liquid crystals simulated by multi-particle collision dynamics / H. Híjar // Condensed Matter Physics. — 2019. — Т. 22, № 1. — С. 13601: 1–16. — Бібліогр.: 33 назв. — англ. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| Zusammenfassung: | Multi-particle collision dynamics is an appealing numerical technique aiming at simulating fluids at the mesoscopic scale. It considers molecular details in a coarse-grained fashion and reproduces hydrodynamic phenomena. Here, the implementation of multi-particle collision dynamics for isotropic fluids is analysed under the
so-called Andersen-thermostatted scheme, a particular algorithm for systems in the canonical ensemble. This
method gives rise to hydrodynamic fluctuations that spontaneously relax towards equilibrium. This relaxation
process can be described by a linearized theory and used to calculate transport coefficients of the system. The
extension of the algorithm for nematic liquid crystals is also considered. It is shown that thermal fluctuations
in the average molecular orientation can be described by an extended linearized scheme. Flow fluctuations
induce orientation fluctuations. However, orientational changes produce observable effects on velocity correlation functions only when simulation parameters exceed their values from those used in previous applications
of the method. Otherwise, the flow can be considered to be independent of the orientation field. |
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