Hybrid Atomistic-Continuum Simulation of Nanostructure Defect-Induced Bubble Growth

Effects of nanostructured defects of a copper solid surface on bubble growth in liquid argon have been investigated through a hybrid atomistic-continuum (HAC) method. The same solid surfaces with five different nanostructures, namely, wedge defect, deep rectangular defect (R-I), shallow rectangular defect (R-II), small rectangular defect (R-III), and no defect were modeled at the molecular level. Liquid argon was placed on top of hot solid copper with a superheat of 30 K after equilibration was achieved with computational fluid dynamics-molecular dynamic (CFD-MD) coupled simulation. Phase change of argon on five nanostructures has been observed and analyzed accordingly. The results showed that the solid surface with wedge defect tends to induce a nanobubble more easily than the others, and the larger the size of the defect, the easier it is for the bubble to generate.