In recent years, we have used both mean-field and atomistic simulations to model complex interactions acting between nanoparticles during their self-assembly. To shed more light on some of these processes, in situ transmission electron microscopy was used to visualize their dynamics in liquid cell experiments. Here, we present our atomistic modeling of these dynamical self-assembly processes. First, we describe multistep nucleation and growth of gold nanoparticles, where a spinodal separation, amorphous cluster formation, and crystallization steps have been observed. Then, we present our modeling of a linker-mediated self-assembly dynamics of charged nanoparticles with different aspect ratios and ligands. Finally, we discuss briefly our modeling of precise etching of nanostructures, performed in liquid cells.

Atomistic modeling of nanoparticle formation, modification and self-assembly in liquid cells

253rd National Meeting (2017)

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