Then anisotropic NPT equilibration at 370K and 1atm is carried out. Box dimensions obtained after equilibration are reported in Table Irrespective of the case being studied, homogeneous or heterogeneous, the procedure for straining the system is identical. A schematic of the heterogeneous nucleation straining simulation setup is shown in Figure ; the homogeneous setup is similar with the exceptions: gold slab is absent and L x = L y = L z . After initial equilibration, we impose a uniform strain in z-direction. Each straining simulation has a duration of 2ns, during which z-dimension of the box changes by 15%.