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The plastic and liquid phases of CCl 3Br studied by molecular dynamics simulations

Caballero, Nirvana Belén et al · American Institute of Physics · 2012

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Author / responsible party
Caballero, Nirvana Belén et al
Publisher
American Institute of Physics
Year
2012
ISSN
0021-9606
ISSN
0021-9606
Language
English

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We present a molecular dynamics study of the liquid and plastic crystalline phases of CCl 3Br. We investigated the short-range orientational order using a recently developed classification method and we found that both phases behave in a very similar way. The only differences occur at very short molecular separations, which are shown to be very rare. The rotational dynamics was explored using time correlation functions of the molecular bonds. We found that the relaxation dynamics corresponds to an isotropic diffusive mode for the liquid phase but departs from this behavior as the temperature is decreased and the system transitions into the plastic phase. © 2012 American Institute of Physics. Fil: Caballero, Nirvana Belén. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina. Comision Nacional de Energía Atómica. Gerencia de Área Investigaciones y Aplicaciones no Nucleares. Gerencia de Física (Centro Atómico Bariloche). División Dispositivos y Sensores; Argentina Fil: Zuriaga, Mariano Jose. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina

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APA 7

Caballero, N. B. E. A. (2012). The plastic and liquid phases of CCl 3Br studied by molecular dynamics simulations. http://hdl.handle.net/11336/191042

MLA

Caballero, Nirvana Belén et al. "The plastic and liquid phases of CCl 3Br studied by molecular dynamics simulations." 2012. http://hdl.handle.net/11336/191042.

Chicago

Caballero, Nirvana Belén et al. 2012. "The plastic and liquid phases of CCl 3Br studied by molecular dynamics simulations.". http://hdl.handle.net/11336/191042.

Harvard

Caballero, N. B. E. A. 2012, The plastic and liquid phases of CCl 3Br studied by molecular dynamics simulations, American Institute of Physics, available at: http://hdl.handle.net/11336/191042 [Accessed 6 Aug. 2026].

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Title
The plastic and liquid phases of CCl 3Br studied by molecular dynamics simulations
Author / contributors
Caballero, Nirvana Belén et al
Publisher
American Institute of Physics
Publication year
2012
ISSN
0021-9606
ISSN
0021-9606
Language
English

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Dinámica Molecular; Cristales plásticos; Relajación; Correlaciones; https://purl.org/becyt/ford/1.3; https://purl.org/becyt/ford/1
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