Self-consistent generalized Langevin equation theory of the dynamics of multicomponent atomic liquids
| Autor: | Patricia Mendoza-Méndez, Magdaleno Medina-Noyola, Pedro Ezequiel Ramírez González, Gabriel Pérez-Ángel, Jorge Adrián Perera-Burgos, Luis Fernando Elizondo-Aguilera, Edilio Lázaro-Lázaro, Ramón Castañeda-Priego |
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| Rok vydání: | 2017 |
| Předmět: |
Physics
Work (thermodynamics) self-consistent generalized Langevin equation FOS: Physical sciences General Physics and Astronomy Binary number Condensed Matter - Soft Condensed Matter 01 natural sciences 010305 fluids & plasmas Condensed Matter::Soft Condensed Matter Molecular dynamics Simple (abstract algebra) binary mixtures 0103 physical sciences Newtonian fluid Soft Condensed Matter (cond-mat.soft) glass transition Statistical physics 82C35 82C26 Physical and Theoretical Chemistry 010306 general physics Representation (mathematics) Pair potential Brownian motion |
| Zdroj: | The Journal of Chemical Physics. 146:184506 |
| ISSN: | 1089-7690 0021-9606 |
| DOI: | 10.1063/1.4983217 |
| Popis: | A fundamental challenge of the theory of liquids is to understand the similarities and differences in the macroscopic dynamics of both colloidal and atomic liquids, which originate in the (Newtonian or Brownian) nature of the microscopic motion of their constituents. Starting from the recently-discovered long-time dynamic equivalence between a colloidal and an atomic liquid that share the same interparticle pair potential, in this work we develop a self-consistent generalized Langevin equation (SCGLE) theory for the dynamics of equilibrium multicomponent atomic liquids, applicable as an approximate but quantitative theory describing the long-time diffusive dynamical properties of simple equilibrium atomic liquids. When complemented with a Gaussian-like approximation, this theory is also able to provide a reasonable representation of the passage from ballistic to diffusive behavior. We illustrate the applicability of the resulting theory with three particular examples, namely, a monodisperse and a polydisperse monocomponent hard-sphere liquid, and a highly size-asymmetric binary hard-sphere mixture. To assess the quantitative accuracy of our results, we perform event-driven molecular dynamics simulations, which corroborate the general features of the theoretical predictions. Comment: 11 pages, 12 Figures |
| Databáze: | OpenAIRE |
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