Related papers: Thermohydrodynamics for a van der Waals fluid
Wetting is fundamental to many technological applications that involve the motion of the fluid-fluid interface on a solid. While static wetting is well understood in the context of thermodynamic equilibrium, dynamic wetting is more…
Thermodynamic response functions, namely the isothermal compressibility, the thermal pressure coefficient, and the thermal expansion coefficient, are calculated for a many-particle system interacting through a modified Morse potential.…
The inherent structures ({\it IS}) are the local minima of the potential energy surface or landscape, $U({\bf r})$, of an {\it N} atom system. Stillinger has given an exact {\it IS} formulation of thermodynamics. Here the implications for…
Thermal forces drive several nonequilibrium phenomena able to set a fluid in motion without pressure gradients. Although the most celebrated effect is thermophoresis, also known as Ludwig-Soret effect, probably the simplest example where…
Recently, the theoretical framework of stochastic thermodynamics has been revealed to be useful for macroscopic systems. However, despite its conceptual and practical importance, the connection to hydrodynamics has yet to be explored. In…
The contact line dynamics of a thermal field assisted flow configuration of two immiscible fluids is considered in a narrow thermofluidic pathway. The surfaces of the channel are wetted with predesigned wettabilities and interdigitated…
We investigate the dynamics of spreading of a small liquid droplet in gas in a one-component simple fluid, where the temperature is inhomogeneous around 0.9Tc and latent heat is released or generated at the interface upon evaporation or…
A new scheme for the computation of dispersive interactions from first principles is presented. This cost-effective approach relies on a Wannier function representation compatible with density function theory descriptions. This is an…
The diffuse interface model of Cahn-Hilliard-van der Waals is often used to study various aspects of multi-phase flows such as droplets coalescence and contact line dynamics. The original model of Cahn-Hilliard-van der Waals uses an…
Thermo-osmotic flows, generated by applying a thermal gradient along a liquid-solid interface, could be harnessed to convert waste heat into electricity. While this phenomenon has been known for almost a century, there is a crucial need to…
This paper presents a model of van der Waals forces in the framework of diffusion-convection equations. The model consists of a nonlinear and degenerated diffusion-convection equation, which furthermore can be considered as a model for slow…
A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…
We have studied two interchange layer systems, (i) free standing partly hydrogenated graphene (graphone), and (ii) graphone on the Nickel (111) surface, to assess various density functional theory based computational schemes incorporating…
We present an explicit finite difference method to simulate the non-ideal multi-phase fluid flow. The local density and the momentum transport are modeled by the Navier-Stokes (N-S) equations and the pressure is computed by the Van der…
The proper definition of entropy is fundamental to the relationship between statistical mechanics and thermodynamics. It also plays a major role in the recent debate about the validity of the concept of negative temperature. In this paper,…
We develop a general method for calculating the thermal efficiency of arbitrary thermodynamic cycles defined in the pressure-volume ($p-V$) diagram. To demonstrate how effective our approach is, we calculate the thermal efficiency of ideal…
The maximum entropy principle is applied to the formal derivation of isothermal, Euler-like equations for semiclassical fermions (electrons and holes) in graphene. After proving general mathematical properties of the equations so obtained,…
Carnot's four-part ideal-gas cycle includes both isothermal and adiabatic expansions and compressions. Analyzing this cycle provides the fundamental basis for statistical thermodynamics. We explore the cycle here from a pedagogical view in…
It is shown that the van der Waals free-energy of polydisperse fluids, as introduced previously (L. Bellier-Castella, H. Xu and M. Baus, {J. Chem. Phys.} {113}, 8337 (2000)), predicts that for certain thermodynamic states (e.g. low…
Free-energy landscape theory is often used to describe complex molecular systems. Here, a microscopic description of water structure and dynamics based on configuration-space-networks and molecular dynamics simulations of the TIP4P/2005…