Dynamic heterogeneity in an orientational glass
| Autor: | Nirvana Caballero, Josep-Lluís Tamarit, Pablo Serra, Mariano Zuriaga |
|---|---|
| Přispěvatelé: | Universitat Politècnica de Catalunya. Departament de Física, Universitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials |
| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: |
DINAMICA
VIDRIOS Ciencias Físicas Lattice (group) General Physics and Astronomy FOS: Physical sciences 02 engineering and technology Dielectric Dielèctrics Condensed Matter - Soft Condensed Matter Molecular dynamics 01 natural sciences DINAMICA MOLECULAR purl.org/becyt/ford/1 [https] Enginyeria química [Àrees temàtiques de la UPC] Physics - Chemical Physics 0103 physical sciences Dinàmica molecular Physical and Theoretical Chemistry 010306 general physics Supercooling Physics Chemical Physics (physics.chem-ph) Condensed Matter - Materials Science Condensed matter physics Autocorrelation HETEROGENEIDAD Materials Science (cond-mat.mtrl-sci) purl.org/becyt/ford/1.3 [https] 021001 nanoscience & nanotechnology Astronomía Jump Soft Condensed Matter (cond-mat.soft) Dielectrics 0210 nano-technology Orientational glass CIENCIAS NATURALES Y EXACTAS Monoclinic crystal system |
| Zdroj: | UPCommons. Portal del coneixement obert de la UPC Universitat Politècnica de Catalunya (UPC) CONICET Digital (CONICET) Consejo Nacional de Investigaciones Científicas y Técnicas instacron:CONICET Recercat. Dipósit de la Recerca de Catalunya instname |
| DOI: | 10.1063/1.5004671 |
| Popis: | The family of compounds CBrnCl4-n has been proven helpful in unraveling microscopic mechanisms responsible for glassy behavior. Some of the family members show translational ordered phases with minimal disorder which appears to reveal glassy features, thus deserving special attention in the search for universal glass anomalies. In this work, we studied CBrCl3 dynamics by performing extensive molecular dynamics simulations. Molecules of this compound perform reorientational discrete jumps, where the atoms exchange equivalent positions among each other revealing a cage-orientational jump motion fully comparable to the cage-rototranslational jump motion in supercooled liquids. Correlation times were calculated from rotational autocorrelation functions showing good agreement with previous reported dielectric results. From mean waiting and persistence times calculated directly from trajectory results, we are able to explain which microscopic mechanisms lead to characteristic times associated with α- and β-relaxation times measured experimentally. We found that two nonequivalent groups of molecules have a longer characteristic time than the other two nonequivalent groups, both of them belonging to the asymmetric unit of the monoclinic (C2/c) lattice. Fil: Caballero, Nirvana Belén. Comisión Nacional de Energía Atómica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina Fil: Zuriaga, Mariano Jose. 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 Fil: Tamarit, Josep Lluís. Universidad Politécnica de Catalunya; España Fil: Serra, Pablo. 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 |
| Databáze: | OpenAIRE |
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