Details of Research Outputs

Metastability in liquids is at the foundation of complex phase transformation dynamics such as nucleation and cavitation. Intermolecular interaction details, beyond the equation of state, and thermal hydrodynamic fluctuations play a crucial role. However, most numerical approaches suffer from a slow time and space convergence, thus hindering the convergence to the hydrodynamic limit. This work shows that the Shan-Chen lattice Boltzmann model has the unique capability of simulating the hydrodynamics of the metastable state. The structure factor of density fluctuations is theoretically obtained and numerically verified to a high precision, for all simulated wave vectors, reduced temperatures, and pressures, deep into the metastable region. Such remarkable agreement between the theory and simulations leverages the exact implementation at the lattice level of the mechanical equilibrium condition. The static structure factor is found to consistently diverge as the temperature approaches the critical point or the density approaches the spinodal line at a subcritical temperature. Theoretically predicted critical exponents are observed in both cases. Finally, the phase separation in the unstable branch follows the same pattern, i.e., the generation of interfaces with different topology, as observed in molecular dynamics simulations.