Tonnam Balankura edited figures/Xin-Simulation-Setup/caption.tex  almost 9 years ago

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\label{fig:sim-setup} Snapshots from MD simulations. (a) An example initial configuration of deposition on Ag(100) facet. A free Ag atom is inserted at the bulk-PVP interphase (dashed blue line) with an initial velocity facing the surface. A successful deposition is counted when the atom reaches the surface, and the atom fails to grow the surface if it passes the dashed red line. (b) A demonstration of how an Ag atom accomplish deposition: when an Ag atom (yellow) arrives at the bulk-PVP interphase (A), it can be attracted into the PVP film by interacting with O atoms (red) on the pyrrolidone ring (B); the Ag atom is retained in the PVP layer but the direct deposition is hinered hindered  by the structure of PVP (C). The deposition finished when a “hole” of suitable size opens (D).