Related papers: Calculation of surface tension via area sampling
Non-local and non-convex energies represent fundamental interacting effects regulating the complex behavior of many systems in biophysics and materials science. We study one dimensional, prototypical schemes able to represent the behavior…
Highly accurate methods such as coupled cluster (CC) techniques can be used for periodic systems within the framework of the method of increments. Its extension to low-dimensional conducting system is considered. To demonstrate the…
Results of a systematic investigation of the vapour-liquid equilibria (VLE) of 30 individual two-centre Lennard-Jones plus pointquadrupole model fluids (2CLJQ) are reported over a range of reduced quadrupolar momentum $0 \le Q^{*2} \le 4$…
A finite-element algorithm for computing free-surface flows driven by arbitrary body forces is presented. The algorithm is primarily designed for the microfluidic parameter range where (i) the Reynolds number is small and (ii) force-driven…
Accurate numerical modeling of surface tension has been a challenging aspect of multiphase flow simulations. The integral formulation for modeling surface tension forces is known to be consistent and conservative, and to be a natural choice…
Despite its importance, there have been few PDE results to investigate Prandtl layers for compressible fluids, in which the thermal boundary layer for the temperature field interacts with the classical velocity Prandtl boundary layer in a…
The interest in the description of the properties of fluids of restricted dimensionality is growing for theoretical and practical reasons. In this work, we have firstly developed an analytical expression for the Helmholtz free energy of the…
We study by computer simulation the nucleation of a supersaturated Lennard-Jones vapor into the liquid phase. The large free energy barriers to transition make the time scale of this process impossible to study by ordinary molecular…
We present an efficient neural-based approach to estimate the instantaneous flow field around an airfoil from limited surface pressure measurements. The model, denoted SNN-POD, relies on two independent shallow neural networks to predict…
The mean stress tensor is essential to investigate the dynamics of granular material. In this paper, we use Hamilton's principle of least action to derive the averaged stress tensor of discrete granular assemblies subjected to hydraulic…
Accurate, global Potential Energy Surfaces (PES) expressed in sum-of-products (SOP) form are a prerequisite for efficient high-dimensional quantum dynamics simulations using the MCTDH method. This work introduces a methodology for…
In multiphase flow phenomena, bubbles and droplets are advected, deformed, break up into smaller ones, and coalesce with each other. A primary challenge of classical computational fluid dynamics (CFD) methods for such flows is to…
The effective solid liquid interfacial tension (SL IFT) between pure liquids and rough solid surfaces is studied through coarse grained simulations. Using the dissipative particle dynamics method, we design solid liquid interfaces,…
Motivated by a long-standing debate concerning the nature and interrelations of surface-tension variables in fluid membranes, we reformulate the thermodynamics of a membrane vesicle as a generic two-dimensional finite system enclosing a…
Understanding of the complex behavior of particles at surfaces requires detailed knowledge of both macroscopic and microscopic processes that take place; also certain processes depend critically on temperature and gas pressure. To link…
A resolvent-based methodology is employed to obtain spatio--temporal estimates of turbulent pipe flow from probe measurements of wall shear-stress fluctuations. Direct numerical simulations (DNS) and large-eddy simulations (LES) of…
The thermodynamics of a scalar field with a quartic interaction is studied within the linear delta expansion (LDE) method. Using the imaginary-time formalism the free energy is evaluated up to second order in the LDE. The method generates…
The purpose of this communication is to discuss the simulation of a free surface compressible flow between two fluids, typically air and water. We use a two fluid model with the same velocity, pressure and temperature for both phases. In…
The free surface lattice Boltzmann method (FSLBM) is a combination of the hydrodynamic lattice Boltzmann method (LBM) with a volume of fluid (VOF) interface apturing technique for the simulation of incompressible free surface flows.…
We develop a novel method to analyze the excluded volume of the multicomponent mixtures of classical hard spheres in the grand canonical ensemble. The method is based on the Laplace-Fourier transform technique and allows one to account for…