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Glass transitions in one-, two-, three-, and four-dimensional binary Lennard-Jones systems.
Brüning, Ralf; St-Onge, Denis A; Patterson, Steve; Kob, Walter.
Afiliación
  • Brüning R; Physics Department, Mount Allison University, Sackville, NB, E4L 1E6, Canada.
J Phys Condens Matter ; 21(3): 035117, 2009 Jan 21.
Article en En | MEDLINE | ID: mdl-21817275
We investigate the calorimetric liquid-glass transition by performing simulations of a binary Lennard-Jones mixture in one through four dimensions. Starting at a high temperature, the systems are cooled to T = 0 and heated back to the ergodic liquid state at constant rates. Glass transitions are observed in two, three and four dimensions as a hysteresis between the cooling and heating curves. This hysteresis appears in the energy and pressure diagrams, and the scanning rate dependence of the area and height of the hysteresis can be described using power laws. The one-dimensional system does not experience a glass transition but its specific heat curve resembles the shape of the D≥2 results in the supercooled liquid regime above the glass transition. As D increases, the radial distribution functions reflect reduced geometric constraints. Nearest neighbor distances become smaller with increasing D due to interactions between nearest and next-nearest neighbors. Simulation data for the glasses are compared with crystal and melting data obtained with a Lennard-Jones system with only one type of particle and we find that with increasing D crystallization becomes increasingly more difficult.

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Condens Matter Asunto de la revista: BIOFISICA Año: 2009 Tipo del documento: Article País de afiliación: Canadá Pais de publicación: Reino Unido

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Condens Matter Asunto de la revista: BIOFISICA Año: 2009 Tipo del documento: Article País de afiliación: Canadá Pais de publicación: Reino Unido