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Title: Phase separation in antisymmetric films: A molecular dynamics study

We have used molecular dynamics (MD) simulations to study phase-separation kinetics in a binary fluid mixture (AB) confined in an antisymmetric thin film. One surface of the film (located at z = 0) attracts the A-atoms, and the other surface (located at z = D) attracts the B-atoms. We study the kinetic processes which lead to the formation of equilibrium morphologies subsequent to a deep quench below the miscibility gap. In the initial stages, one observes the formation of a layered structure, consisting of an A-rich layer followed by a B-rich layer at z = 0; and an analogous structure at z = D. This multi-layered morphology is time-dependent and propagates into the bulk, though it may break up into a laterally inhomogeneous structure at a later stage. We characterize the evolution morphologies via laterally averaged order parameter profiles; the growth laws for wetting-layer kinetics and layer-wise length scales; and the scaling properties of layer-wise correlation functions.
Authors:
;  [1] ;  [2]
  1. School of Physical Sciences, Jawaharlal Nehru University, New Delhi 110067 (India)
  2. Institut für Physik, Johannes Gutenberg-Universität Mainz, Staudinger Weg 7, D-55099 Mainz (Germany)
Publication Date:
OSTI Identifier:
22251547
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 139; Journal Issue: 17; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CORRELATION FUNCTIONS; KINETICS; LAYERS; MIXTURES; MOLECULAR DYNAMICS METHOD; ORDER PARAMETERS; SIMULATION; SURFACES; THIN FILMS