Related papers: Pressure Profile Calculation with Mesh Ewald Metho…
The evaluation of long-range Coulomb interactions is a significant cost in molecular dynamics (MD), even when using Particle Mesh Ewald (PME) or Particle-Particle-Particle-Mesh (PPPM) methods, which rely on Ewald splitting and the fast…
Engineering simulators used for steady-state multiphase pipe flows are commonly utilized to predict pressure drop. Such simulators are typically based on either empirical correlations or first-principles mechanistic models. The simulators…
We develop a framework for constructing mixed multiscale finite volume methods for elliptic equations with multiple scales arising from flows in porous media. Some of the methods developed using the framework are already known…
Temperature Accelerated Sliced Sampling (TASS) is an efficient method to compute high dimensional free energy landscapes. The original TASS method employs the Weighted Histogram Analysis Method (WHAM) which is an iterative post-processing…
We propose an effective transfer-matrix method that allows a measurement of tunnelling correlation lengths that are orders of magnitude larger than the lattice extension. Combining this method with a particularly efficient implementation of…
Hybrid particle-field methods are computationally efficient approaches for modelling soft matter systems. So far applications of these methodologies have been limited to constant volume conditions. Here, we reformulate particle-field…
We consider the surface pressure of a colloid-laden liquid interface. As micron-sized particles of suitable wettability can be irreversibly bound to the liquid interface on experimental timescales, we use the canonical ensemble to derive an…
In this paper we propose an efficient second order well balanced finite volume method for modeling complex free surface flows at the aid of a simple diffuse interface method. The employed physical model is a two-phase model derived from the…
Coherency misfit stresses and their related anisotropies are known to influence the equilibrium shapes of precipitates. Additionally, mechanical properties of the alloys are also dependent on the shapes of the precipitates. Therefore, in…
We examine the applicability of various model profiles for the liquid/vapor interface by X-ray reflectivities on water and ethanol and their mixtures at room temperature. Analysis of the X-ray reflecivities using various density profiles…
Second order perturbation solutions of profiles of bubbles suspended in liquid and liquid gas interfaces when liquid all sinks in the bottom under different accelerations are derived. Six procedures are developed based on these solutions,…
The evaluation of Coulomb forces is a difficult task. The summations that are involved converge only conditionally and care has to be taken in selecting the appropriate procedure to define the limits. The Ewald method is a standard method…
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…
Open cell foams have diverse industrial applications e.g. heat exchangers, structured reactors, filtration due to their unique properties such as high porosity and high specific surface area. In order to theoretically determine the…
Accurate and robust models for the pressure strain correlation are an essential component for the success of Reynolds Stress Models in turbulent flow simulations. However replicating the non-local action of pressure using only local tensors…
In the framework of the grand-canonical ensemble of statistical mechanics, we give an exact diagrammatic representation of the density profiles in a classical multicomponent plasma near a dielectric wall. By a reorganization of Mayer…
We present an update of our lattice QCD determination of the hadronic contribution to the running of the electromagnetic coupling, $\Delta\alpha_{\mathrm{had}}^{(5)}(-Q^2)$, and of the electroweak mixing angle in the space-like momentum…
In this work, we propose a numerical method to compute the Wasserstein Hamiltonian flow (WHF), which is a Hamiltonian system on the probability density manifold. Many well-known PDE systems can be reformulated as WHFs. We use parameterized…
We consider the influence of quenched noise upon interface dynamics in 2D and 3D capillary rise with rough walls by using phase-field approach, where the local conservation of mass in the bulk is explicitly included. In the 2D case the…
Application of computation in many fields are growing fast in last two decades. Increasing on computation performance helps researchers to understand natural phenomena in many fields of science and technology including in life sciences.…