2008 Annual Meeting
(385d) Confinement Effects on Structure and Dynamics of a Supercooled Hard-Sphere Mixture
Authors
Mark Pond - Presenter, The University of Texas at Austin
Gaurav Goel, The University of Texas at Austin
William P. Krekelberg, The University of Texas at Austin
Vincent K. Shen, National Institute of Standards and Technology
Jeffrey Errington, University of Buffalo
Thomas Truskett, University of Texas At Austin
The transport properties of a variety of bulk and confined equilibrium fluids show a simple, quasi-universal correlation to their structure [1,3]. However, recent studies have shown that diffusivity and viscosity of supercooled bulk fluids develop different couplings to structure [2]. Interestingly, this provides a structural interpretation for the breakdown of the Stokes-Einstein relationship. It has been shown that confinement shifts the onset of supercooled dynamics [4]. This leads to a number of open questions in regards to supercooled confined fluids. First, how does confinement affect the coupling between structure and dynamics? Second, does the Stokes-Einstein relationship break down, and if so can this be interpreted in terms of structure? In this work, we address these questions via molecular simulation and theory.
[1] Y. Rosenfeld, Phys. Rev. A 15, 2545 (1977).
[2] - W. P. Krekelberg, J. Mittal, V.Ganesan and T. M. Truskett, The Journal of Chemical Physics 127, 044502 (2007).
[3] - J. Mittal, V. K.Shen, J. R. Errington and T. M. Truskett, The Journal of Chemical Physics 127, 154513 (2007).
[4] - C. R. Nugent, K. V. Edmond, H. N. Patel and E. R. Weeks, Physical Review Letters 99, 025702 (2007).