Simulation schemes for liquids or strongly fluctuating systems that allow to change the molecular representation in a subvolume of the simulation box while preserving the equilibrium with the surroundings introduce conceptual problems of thermodynamic consistency. In this work we present a general scheme based on thermodynamic arguments which ensures a thermodynamic equilibrium among molecules ...

Thermodynamic effects play an important role in the cavitation dynamics of cryogenics fluids. Such flows are characterized by strong variations in fluid properties with the temperature. A compressible, multiphase, one-fluid solver was developed to study and to predict thermodynamic effects in cavitating flows. To close the system, a cavitation model is proposed to capture metastable behaviours ...

We develop the general equation for the nonequilibrium reversible-irreversible coupling framework of thermodynamics to handle moving interfaces in the context of a gas that can be dissolved in a surrounding liquid. The key innovation is a "moving interface normal transfer" term required for consistency between the thermodynamic evolution equation and the chain rule of functional calculus. The f...