Fig. 2
Example of atomic energy, pressure, and diagonal stress tensor components variations in a 20 nm diameter aluminum nanoparticle (left) and cavity (right) as a function of the radial distance from the center, for two arbitrary applied pressures. All quantities are radial averages made in 1 Å thick shells. The vertical dashed lines indicate the position of the surface assuming perfectly spherical systems and a surface atom volume equal to the bulk atomic volume. The dotted line is a fit made with the expression α/r3 and excluding data close to the surface