We first study homogeneous nucleation to establish a reference for our heterogeneous simulations. The procedure for generation of a stable bubble nuclei using NEMD is described in Section II B. Figure the pressure reduces (becomes negative) with increasing strain and the liquid is in superheated regime. During this time, several bubble nuclei are formed but collapses as the radii is not above the critical radius at the corresponding pressure; these small transient bubbles can be observed in Figure (b). At t = 1500ps, the first stable bubble nuclei is formed and subsequently grows as the system is further strained. On the pressure-time plot, the nucleation process is characterized by a rapid increase in pressure (relaxation of the stress) between t = 1450ps and t = 1550ps. After a stable bubble is nucleated, it enters the growth regime which is evidenced by a slow relaxation of pressure with increasing strain; this can be observed in 3(e) after t = 1550ps. Maximum negative pressure sustained by the system is 1013 ± 26bar which is comparable to those predicted from theory , experiments , and simulations . Critical bubble nuclei radius calculated from our simulations is ∼10Å, as discussed in Supplementary Section I.