Abstract
We have investigated the growth and properties of FeCl2 nanoparticles from supercritical water by molecular dynamics simulations. After particle growth had finished after less than 250 ps, selected properties of the aging clusters like structure, shape and amount of crystal water content were analyzed for up to 1.5 ns simulation time. We observe very quick growth and shape relaxation of the clusters and analyze the development of cluster size, radius of gyration and moments of inertia with time. The number of water molecules that are part of the clusters increases almost linearly with cluster size. The shape relaxation of the clusters happens faster after cluster-cluster collisions than the clusters have time to reorganize their structure and attain a highly ordered ground state structure. The development of the cluster structure with time as analyzed by radial distribution functions shows hardly any changes over time, but differences with system temperature and system density.
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