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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Domain formation and growth in spinodal decomposition of a binary fluid by molecular dynamics simulations
Amol K Thakre1, W K den Otter, W J Briels
1Computational Biophysics, Faculty of Science and Technology, University of Twente, P.O. Box 217, 7500 AE Enschede, The Netherlands.
Abstract:
The two initial stages of spinodal decomposition of a symmetric binary Lennard-Jones fluid have been simulated by molecular dynamics simulations, using a hydrodynamics-conserving thermostat. By analyzing the growth of the average domain size R(t) with time, a satisfactory agreement is found with the R(t) proportional t1/3 Lifshitz-Slyozov growth law for the early diffusion-driven stage of domain formation in a quenched homogeneous mixture. In the subsequent stage of viscous-dominated growth, the mean domain size appears to follow the linear growth law predicted by Siggia.
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