Related papers: Molecular fields and statistical field theory of f…
We consider three-dimensional statistical systems at phase coexistence in the half-volume with boundary conditions leading to the presence of an interface. Working slightly below the critical temperature, where universal properties emerge,…
In mean-field theory, the non-local state of fluid molecules can be taken into account using a statistical method. The molecular model combined with a density expansion in Taylor series of the fourth order yields an internal energy value…
We propose an open-boundary molecular dynamics method in which an atomistic system is in contact with an infinite particle reservoir at constant temperature, volume and chemical potential. In practice, following the Hamiltonian adaptive…
Chemistry occurring at or near the surfaces of aqueous droplets and thin films in the atmosphere influences air quality and climate. Molecular dynamics simulations are becoming increasingly useful for gaining atomic-scale insight into the…
We extend our statistical mechanical theory of the glass transition from examples consisting of point particles to molecular liquids with internal degrees of freedom. As before, the fundamental assertion is that super-cooled liquids are…
The boundary conditions at the deformable interface between two contacting fluids are derived for the general case of the large-amplitude perturbations. The interface is modeled as perturbed free boundary that evolves in time, and the…
In this paper, we consider the field model for complex ionic fluids with an energy variational structure, and analyze the well-posedness to this model with regularized kernels. Furthermore, we deduce the estimate of the maximal density…
Hydrodynamic density functional theory (DFT) is applied to analyse dynamic contact angles of droplets in order to assess its predictive capability regarding wetting phenomena at the microscopic scale and to evaluate its feasibility for…
First steps towards developing a new perturbation theory for molecular liquids are taken. By choosing a new form of splitting the site-site potential functions between molecules, we will get a set of atomic fluids as the reference system…
The statistical nature of discrete fluid molecules with random thermal motion so far has not been considered in mainstream fluid mechanics based on Navier-Stokes equations, wherein fluids have been treated as a continuum breaking into many…
Particles bound to an interface interact because they deform its shape. The stresses that result are fully encoded in the geometry and described by a divergence-free surface stress tensor. This stress tensor can be used to express the force…
Interfaces between two fluids are ubiquitous and of special importance for industrial applications, e.g., stabilisation of emulsions. The dynamics of fluid-fluid interfaces is difficult to study because these interfaces are usually…
We discuss Hamiltonian learning in quantum field theories as a protocol for systematically extracting the operator content and coupling constants of effective field theory Hamiltonians from experimental data. Learning the Hamiltonian for…
A new diffuse interface model for a two-phase flow of two incompressible fluids with different densities is introduced using methods from rational continuum mechanics. The model fulfills local and global dissipation inequalities and is also…
Traditional stochastic modeling of reactive systems limits the domain of applicability of the associated path thermodynamics to systems involving a single elementary reaction at the origin of each observed change in composition. An…
In this paper the development of a physically consistent phase-field theory of solidification shrinkage is presented. The coarse-grained hydrodynamic equations are derived directly from the N-body Hamiltonian equations in the framework of…
The Hamiltonian dynamics of chains of nonlinearly coupled particles is numerically investigated in two and three dimensions. Simple, off-lattice homopolymer models are used to represent the interparticle potentials. Time averages of…
This paper provides a first contribution to port-Hamiltonian modeling of district heating networks. By introducing a model hierarchy of flow equations on the network, this work aims at a thermodynamically consistent port-Hamiltonian…
A mathematically rigorous Hamiltonian formulation for classical and quantum field theories is given. New results include clarifications of the structure of linear fields, and a plausible formulation for nonlinear fields. Many mathematical…
This article establishes a first-principles statistical field theory of fully developed isotropic turbulence. Applying an exact Helmholtz decomposition to the local angular momentum field ($\Lvec = \rvec \times \uvec$) reveals a segregation…