Water structure on gypsum (010) - MD simulation and experiment
The total size of the experimental data and simulation data is about
11 MByte.
This interactive visualization allows to compare the water structure on the gypsum (010) surface as obtained from molecular dynamics (MD) simulation and atomic force microscopy (AFM). The left panels show the simulated MD oxygen density; the right panels show the AFM excitation frequency.
The vertical alignment of the MD data with the AFM data is described in the manuscript.
The top row shows lateral slices of both data sets. The orange unit cell is shown at the same lateral position within both graphs, with an adjustable offset.
The bottom row shows vertical slices extracted along the [100] surface direction.
As in the manuscript, the surface directions in both the experimental and molecular dynamics data are as follows:
