Krishnan, SH and Ayappa, KG (2012) Glassy dynamics in a confined monatomic fluid. In: PHYSICAL REVIEW E, 86 (1, Par).
PDF
phy_rev_86-1_011504_2012.pdf - Published Version Restricted to Registered users only Download (1MB) | Request a copy |
Abstract
Molecular dynamic simulations of a strongly inhomogeneous system reveals that a single-component soft-sphere fluid can behave as a fragile glass former due to confinement. The self-intermediate scattering function, F-s(k,t), of a Lennard-Jones fluid confined in slit-shaped pores, which can accomodate two to four fluid layers, exhibits a two-step relaxation at moderate temperatures. The mean-squared displacement data are found to follow time-temperature superposition and both the self-diffusivity and late a relaxation times exhibit power-law divergences as the fluid is cooled. The system possesses a crossover temperature and follows the scalings of mode coupling theory for the glass transition. The temperature dependence of the self-diffusivity can be expressed using the Vogel-Fulcher-Tammann equation, and estimates of the fragility index of the system indicates a fragile glass former. At lower temperatures, signatures of additional relaxation processes are observed in the various dynamical quantities with a three-step relaxation observed in the F-s(k,t).
Item Type: | Journal Article |
---|---|
Publication: | PHYSICAL REVIEW E |
Publisher: | AMER PHYSICAL SOC |
Additional Information: | Copy right for this article belongs to American Physical Society |
Department/Centre: | Division of Mechanical Sciences > Chemical Engineering |
Date Deposited: | 21 Aug 2012 03:53 |
Last Modified: | 21 Aug 2012 03:53 |
URI: | http://eprints.iisc.ac.in/id/eprint/44961 |
Actions (login required)
View Item |