Recrystallization of picosecond laser-melted ZnO nanoparticles in a liquid: a molecular dynamics study.

We employ molecular dynamics simulation to investigate the rapid melting and subsequent cooling process of zinc oxide (ZnO) nanoparticles in liquid tetradecane upon picosecond laser heating. The coalescence of two neighboring melted nanoparticles into a larger particle and the recrystallization of the latter upon cooling were studied. Severe undercooling and distinct recalescence occurs and the structure of the nanoparticle transforms from its initial hexagonal wurtzite structure to a face-centered cubic structure after recrystallization. By analyzing the heating/cooling process, we demonstrated that the particle size has a large impact on the interfacial thermal conductance between the nanoparticle and the surrounding liquid, as well as on the solidification initiation and solidification completion temperatures. We also investigated the thermal behavior of the surrounding liquid layer at the neighborhood of the particle surface. Boiling of the liquid layer was found in the case of extremely high heat fluxes.