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UID:submissions.pasc-conference.org_PASC24_sess113_msa294@linklings.com
SUMMARY:Simulating Hierarchical Structure Formation in Drying Droplets
DESCRIPTION:Minisymposium\n\nMichael Engel (Friedrich-Alexander-Universitä
 t Erlangen-Nürnberg)\n\nColloidal suspensions confined to emulsion droplet
 s are model systems for understanding crystallization processes and for de
 veloping functional materials. They are also an ideal playground for advan
 ced particle simulations and statistical sampling. This presentation focus
 es on strategies to model such processes in high-performance computing env
 ironments using physics-based simulations. Our main tools are event-driven
  molecular dynamics and Monte Carlo simulation of hard spheres and hard po
 lyhedra. Structure formation is affected by the interplay of thermodynamic
  and kinetic effects. I will discuss strategies to sample phase space effi
 ciently as required for free-energy calculations, which are a prerequisite
  to predict phase behavior. Our simulations explain the mesoscale structur
 es in certain minerals, are realized in experiment of clusters with struct
 ural color, and explain the self-assembly of certain nanocrystals.\n\nDoma
 in: Chemistry and Materials, Physics, Computational Methods and Applied Ma
 thematics\n\nSession Chairs: Jan Michael Carrillo (Oak Ridge National Labo
 ratory) and Jihong Ma (The University of Vermont)
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