Glassy dynamics in a confined monatomic fluid
Data(s) |
23/07/2012
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Resumo |
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). |
Formato |
application/pdf |
Identificador |
http://eprints.iisc.ernet.in/44961/1/phy_rev_86-1_011504_2012.pdf Krishnan, SH and Ayappa, KG (2012) Glassy dynamics in a confined monatomic fluid. In: PHYSICAL REVIEW E, 86 (1, Par). |
Publicador |
AMER PHYSICAL SOC |
Relação |
http://dx.doi.org/10.1103/PhysRevE.86.011504 http://eprints.iisc.ernet.in/44961/ |
Palavras-Chave | #Chemical Engineering |
Tipo |
Journal Article PeerReviewed |