Fig. 4

Displacement distribution from the experiments and finite element analysis (FEA). a–d 3D reconstructed images (left) and sliced images (right) including lattice displacements at (111) with 25% isosurface amplitude of a 220 nm Pt nanocrystal under each of the four gas environments for Fig. 1a, b, d, f, respectively. Red (positive sign) indicates the projected displacements along the [111] direction and blue (negative sign) implies the opposite direction. These 3D images show lattice contraction along the edges and corners owing to adsorption of oxygen atoms and methane oxidation. The cross-sections show that the distortion propagates deep into the interior of the Pt nanocrystal and is released after catalytic methane oxidation. e Images on the left show meshing of BCDI result. RMD-derived reaction-induced pressure (P_MD) is applied to the region shaded in blue. Images on the right show the Dirichlet constraint of zero displacement, included in the FEA. The slice plane used for f–h is also shown. f–h The FEA predictions for the Pt nanocrystal response to adsorption induced external force obtained from RMD corresponding to a–c. Crystal and slice planes are colored by the [111] projected displacement. Scale bar corresponds to 50 nm