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The interacting lattice gas model is used to simulate fluid flow through an open percolating porous medium with the fluid entering at the source-end and leaving from the opposite end. The shape of the steady-state concentration profile and…
Long, shallow microchannels embedded in thick soft materials are widely used in microfluidic devices for lab-on-a-chip applications. However, the bulging effect caused by fluid--structure interactions between the internal viscous flow and…
The goal of this paper is to test solids4Foam, the fluid-structure interaction (FSI) toolbox developed for foam-extend (a branch of OpenFOAM), and assess its flexibility in handling more complex flows. For this purpose, we consider the…
Based on Brownian dynamics simulations, we investigate the thermodynamic signatures of non-equilibrium steady states in a confined colloidal suspensions under shear flow. Specifically, we consider a thin film consisting of charged particles…
Molecular design requires systematic and broadly applicable methods to extract structure-property relationships. The focus of this study is on learning thermodynamic properties from molecular-liquid simulations. The methodology relies on an…
The focus of this paper is to systematically study the influence of solid obstacle surface roughness in porous media on the microscale flow physics and report its effect on macroscale drag and Nusselt number. The Reynolds averaged flow…
We present 1D-MESA2HYDRO-3D, an open source, Python-based software tool that provides an accessible means of generating physically motivated initial conditions (ICs) for hydrodynamical simulations from 1-D stellar structure models. We test…
Computer simulations were used to study the gel transition occurring in colloidal systems with short range attractions. A colloid-polymer mixture was modelled and the results were compared with mode coupling theory expectations and with the…
Cellulose is one of the most versatile substances in the world. Its immense variety of applications was in recent years complemented by interesting nanotechnological applications. The fabrication of complex cellulose-based materials asks…
We simulate the compression of a two-component Lennard-Jones liquid at a variety of constant temperatures using a molecular dynamics algorithm in an isobaric-isothermal ensemble. The viscosity of the liquid increases with pressure,…
The accuracy of Lagrangian point-particle models for simulation of particle-laden flows may degrade when the particle and fluid momentum equations are two-way coupled. In these cases the fluid velocity at the location of the particle, which…
Numerical simulations were conducted to investigate the influence of inlet Reynolds number on the isothermal flow field in a lab-scale swirl combustor while keeping a fixed inlet swirl number of 0.67. The combustor geometry and baseline…
The present study focuses on the assessment of the performance of a Finite Volume Method based, particle-resolved simulation approach to predict the flow through a model packed-bed consisting of 21 layers of spheres arranged in the body…
We describe a new computational method for the numerically stable particle-based simulation of open-boundary flows, including volume conserving chemical reactions. The novel method is validated for the case of heterogeneous catalysis…
To insight the relationships between the self-organizing structures of cells, such as the cell clusters, and the properties of biotissues is helpful in revealing the function and designing biomaterial. Traditional random foam model neglects…
In Computational Fluid Dynamics (CFD) studies composed of the coupling of different simulations, the uncertainty in one stage may be propagated to the following stage and affect the accuracy of the prediction. In this paper, a framework for…
Open-cell graphitic foams were fabricated by chemical vapor deposition using nickel templates and their compressive responses were measured over a range of relative densities. The mechanical response required an interpretation in terms of a…
Our work is motivated by the analysis of ash plume dynamics, arising in the study of volcanic eruptions. Such phenomena are characterized by large Reynolds number (exceeding $10^7$) and a large number of polydispersed particles~[1]. Thus,…
The elastic properties of a material with spherical voids of equal volume are analysed using a new model, with particular attention paid to the hexagonal close-packed and the face-centred cubic arrangement of voids. Void fractions well…
Soft cellular systems, such as foams or biological tissues, exhibit highly complex rheological properties, even in the quasistatic regime, that numerical modeling can help to apprehend. We present a numerical implementation of quasistatic…