Metastable and unstable hydrodynamics in multiphase lattice Boltzmann.

Phys Rev E

Department of Mechanics and Aerospace Engineering, Southern University of Science and Technology, Shenzhen, Guangdong 518055, China.

Published: April 2024

AI Article Synopsis

  • - Metastability in liquids affects phase transformation processes like nucleation and cavitation, influenced mainly by intermolecular interactions and thermal fluctuations.
  • - The Shan-Chen lattice Boltzmann model excels in simulating hydrodynamics in metastable states, providing precise theoretical and numerical results for density fluctuations across various conditions.
  • - As temperature nears the critical point or density reaches the spinodal line, the static structure factor shows significant divergence, and critical exponents align with theoretical predictions, mirroring patterns noted in molecular dynamics simulations.

Article Abstract

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.

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http://dx.doi.org/10.1103/PhysRevE.109.045304DOI Listing

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