Related papers: A Direct Two-Dimensional Pressure Formulation in M…
Efficient molecular dynamics (MD) simulation is vital for understanding atomic-scale processes in materials science and biophysics. Traditional density functional theory (DFT) methods are computationally expensive, which limits the…
Large-scale coronal plasma evolutions can be adequately described by magnetohydrodynamics (MHD) equations. However, full multi-dimensional MHD simulations require substantial computational resources. Given the low plasma $\beta$ in the…
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…
Motivated by existing models used for soft body simulation which are rather complex to implement, we present a novel technique which is based on simple laws of physics and gives high quality results in real-time. We base the implementation…
We present results on the accurate one-dimensional (1D) modeling of simple atomic and molecular systems excited by strong laser fields. We use atomic model potentials that we derive from the corrections proposed earlier using the reduced…
We present a fully-explicit, iteration-free, weakly-compressible method to simulate immiscible incompressible two-phase flows. To update pressure, we circumvent the computationally expensive Poisson equation and use the general pressure…
Computational fluid dynamics (CFD) can be used to simulate vascular haemodynamics and analyse potential treatment options. CFD has shown to be beneficial in improving patient outcomes. However, the implementation of CFD for routine clinical…
In this paper we outline methods for calculating the pressure field inside flow conduits in the one-dimensional flow models where the pressure is dependent on the axial coordinate only. The investigation is general with regard to the tube…
Dielectric barrier discharge (DBD) plasma is used for various applications. DBD is also one of the most efficient and low-cost methods for active fluid flow control. In this study, a detailed physical model of DBD in atmospheric pressure at…
Accurately predicting the temperature field in metal additive manufacturing (AM) processes is critical to preventing overheating, adjusting process parameters, and ensuring process stability. While physics-based computational models offer…
Blood vessel constriction is simulated with particle-based method using a molecular dynamics authoring software known as Molecular Workbench (WM). Blood flow and vessel wall, the only components considered in constructing a blood vessel,…
We introduce an approximate model for predicting the net contact wrench between nominally rigid objects for use in simulation, control, and state estimation. The model combines and generalizes two ideas: a bed of springs (an "elastic…
We present our ongoing work aimed at accelerating a particle-resolved direct numerical simulation model designed to study aerosol-cloud-turbulence interactions. The dynamical model consists of two main components - a set of fluid dynamics…
Argon molecular dynamics (MD) simulations are performed with a newly developed MD program, Easy M(1)odular M(2)olecular M(3)echanics (EM3). The program was developed in an object-oriented fashion containing classes for each critical part of…
A numerical method is developed to efficiently calculate the stress (and displacement) field in finite 2D rectangular media. The solution is expanded on a function basis with elements that satisfy the Navier-Cauchy equation. The obtained…
This paper introduces a generalised 3rd-order Spectral Representation Method for the simulation of multi-dimensional stochastic fields with asymmetric non-linearities. The simulated random fields satisfy a prescribed Power Spectrum and…
A new methodology is proposed to estimate 3D displacement fields from pairs of images obtained from X-Ray Computed Micro Tomography (XCMT). Contrary to local approaches, a global approach is followed herein that evaluates {\em continuous}…
Molecular models of real fluids are validated by comparing the vapor-liquid surface tension from molecular dynamics (MD) simulation to correlations of experimental data. The considered molecular models consist of up to 28 interaction sites,…
We use video microscopy to study a two-dimensional (2D) model fluid of charged colloidal particles suspended in water and compute the pressure from the measured particle configurations. Direct experimental control over the particle density…
Three coarse-grained molecular dynamics (MD) models are investigated with the aim of developing and analyzing multiscale methods which use MD simulations in parts of the computational domain and (less detailed) Brownian dynamics (BD)…