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(a) Snapshot of the simulated amorphous alumina structure with a cylindrical pore, where the yellow and red spheres indicate Al and O atoms, respectively. (b) Schematic of the simulated system.
Spatial distribution of atomic displacement projected on the xy plane for (a) Al and (b) O ions. Red and blue colors indicate parallel and antiparallel motions to the direction of the applied electric field, respectively. The dashed lines indicate the boundary between the surface and bulk regions. (c) Displacements of Al (blue) and O (red) ions in the z direction in the surface (solid lines) and bulk (dashed lines) regions.
Spatial distribution of the charge (a) and dipole moment (b) projected on the xy plane.
Local stoichiometry (i.e., the ratio between the numbers of O and Al atoms) as a function of the distance from the cylindrical center.
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