In conventional fluid mechanics, the chemical composition and thermodynamic state of a
fluid-solid interface are not considered when establishing velocity-field boundary conditions …

Fluid-solid interfaces are ubiquitous in fluid dynamics, but also particularly important at the
nanoscale, where the spatial extent of fluid under bulk conditions is very limited. Predicting …

A generic algorithm is presented for coupling a molecular dynamics (MD) simulation to a
continuum-based computation for a fluid system. The coupling is achieved by constraining …

The equilibrium states of vapor and liquid coexistent phases in contact with a solid surface
are studied at the nanoscale by molecular dynamics simulations for a temperature close to …

A generating functional formalism is developed to facilitate the derivation of coarse-grained
dynamics of macroscopically relevant variables in various types of many-body problems …

Molecular modelling and simulation is an established method for describing and predicting
thermodynamic properties of fluids. It is well suitable for investigating phenomena on small …

We study the boundary conditions at a fluid-solid interface using molecular dynamics
simulations covering a broad range of fluid-solid interactions and fluid densities and both …

By using the Onsager principle of minimum energy dissipation, the hydrodynamic boundary
conditions at the fluid–solid interface are shown to be the natural emergent behavior of …

A hybrid multiscale model that incorporates both continuum fluid dynamics effects including
thermal fluctuations and molecular dynamics is presented for the challenging 3D liquid-solid …

Although the fluid− fluid interface has been fully described within the framework of classical
statistical thermodynamics, a similarly complete treatment of the fluid− solid interface is …