Related papers: Pressure Profile Calculation with Mesh Ewald Metho…
We present a one-dimensional shear-force-driven droplet formation model with a flux-based error estimator. The model is derived using asymptotic expansion and a front-tracking method to simulate the droplet interface. The model is then…
Modeling flow in geosystems with natural fault is a challenging problem due to low permeability of fault compared to its surrounding porous media. One way to predict the behavior of the flow while taking the effects of fault into account is…
We have extended the multilevel summation (MLS) method, originally developed to evaluate long-range Coulombic interactions in molecular dynamics (MD) simulations [Skeel et al., J. Comput. Chem., 23, 673 (2002)], to handle dispersion…
When two stiff inclusions are closely located, the gradient of the solution to the Lam\'{e} system, in other words the stress, may become arbitrarily large as the distance between two inclusions tends to zero. To compute the gradient of the…
This study developed a simple method to measure liquid surface tension based on curve fitting technique. In this study, the explicit lying droplet profile function in terms of surface tension was derived by solving 2-D Young-Laplace…
The energy-conserving sampling and weighting (ECSW) method is a hyperreduction method originally developed for accelerating the performance of Galerkin projection-based reduced-order models (PROMs) associated with large-scale finite element…
This extended article presents a thermomechanical approach for calculating the stress tensor from the thermodynamic potential of inhomogeneous fluids and some applications to ionic fluids. The technique, based on the invariance of the…
In this study, we carried out equilibrium molecular dynamics (EMD) simulations of the liquid-liquid interface between two different Lennard-Jones components with varying miscibility, where we examined the relation between the interfacial…
In this work, we showed a calculation method of local stress tensor applicable to non-equilibrium MD systems based on the Method of Plane (MoP). From the relation between the macroscopic velocity distribution function and the microscopic…
We present numerical simulations of diffusio-osmotic flow, i.e. the fluid flow generated by a concentration gradient along a solid-fluid interface. In our study, we compare a number of distinct approaches that have been proposed for…
The dielectric permittivity of liquid water is a fundamental property that underlies its distinctive behaviors in numerious physical, biological, and chemical processes. Within a machine learning framework, we present a unified approach to…
This work provides a comprehensive exploration of various methods in solving incompressible flows using a projection method, and their relation to the occurrence and management of checkerboard oscillations. It employs an algebraic…
We perform a quantitative assessment of different strategies to compute the contribution due to surface tension in incompressible two-phase flows using a conservative level set (CLS) method. More specifically, we compare classical…
The Multi-region Relaxed MHD (MRxMHD) has been successful in the construction of equilibria in three-dimensional (3D) configurations. In MRxMHD, the plasma is sliced into sub-volumes separated by ideal interfaces, each undergoing…
In the present work, we first introduce a general framework for modelling complex multiscale fluids and then focus on the derivation and analysis of a new hybrid continuum-kinetic model. In particular, we combine conservation of mass and…
We investigate the intrinsic behavior of ionic liquids under shear flow, using a coarse-grained model of C4mim-PF6 as a prototypical example. The importance of long-ranged electrostatics is assessed as a function of shear rate by comparing…
Motivated by the needs of wall modeled Large Eddy Simulation (LES), we introduce fits to numerical solutions of the Reynolds Averaged Navier-Stokes equations in their simplest near-wall, boundary layer approximation including a…
We consider the regularity of an interface between two incompressible and inviscid fluids flows in the presence of surface tension. We obtain local in time estimates on the interface in $H^{\frac32k +1}$ and the velocity fields in…
Droplet impact in airflow environments is ubiquitous in nature and industry, making the understanding of this multiphase behavior crucial for technologies such as anti-icing and spray cooling. In this study, the dynamics of droplet impact…
Two-dimensional (2D) pressure field estimation in molecular dynamics (MD) simulations has been done using three-dimensional (3D) pressure field calculations followed by averaging, which is computationally expensive due to 3D convolutions.…