Shock-induced freezing in liquids has long been a subject of interest as well as mystery. With large-scale molecular dynamics simulations, we demonstrate that homogeneous crystal nucleation in liquid Cu can be realized under effective supercooling $\left(\theta \right)$, via quasi-isentropic compression or ramp wave loading with a particle velocity $u_{\mathrm{p}}$ achieved within a ramp time $\tau$. The simulations yield the $\tau \text{−}{u}_{\mathrm{p}}\text{−}\theta$ relations for homogeneous crystallization at the spatial and temporal scales of molecular dynamics; a ramp wave loading with $\tau \sim 100$ ps is essentially isentropic for liquid Cu. Based on classical nucleation theory, we predict $\theta$, and thus $u_{\mathrm{p}}$, as required for homogenous nucleation in experiments with larger length and time scales. Homogeneous nucleation can also be achieved with shock loading in initially supercooled liquids.

• Received 3 March 2015
• Revised 25 June 2015

DOI:https://doi.org/10.1103/PhysRevB.92.014108