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

Abstract

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.