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With renewed interest in CO2 separations, carbon molecular sieving (CMS) membrane performance evaluation requires diffusion coefficients as inputs to have reliable estimate of the permeability. An optimal material is desired to have both…
Due to the complex characteristics of bottle-brush polymers, it became a challenge to develop an efficient algorithm for studying such macromolecules under various solvent conditions or some constraints in the space by using computer…
In the last decade, progresses in additive manufacturing (AM) have paved the way for optimized heat exchangers, whose disruptive design will depend on predictive numerical simulations. Typical AM rough surfaces show limited resemblance to…
In a companion study \cite{patterson2020computing2D}, we present a numerical method for simulating 2D viscous flow through an open compliant closed channel, drive by pressure gradient. We consider the highly viscous regime, where fluid…
Large language models (LLMs) achieve remarkable performance through ever-increasing parameter counts, but scaling incurs steep computational costs. To better understand LLM scaling, we study representational differences between LLMs and…
The present paper deals with the problem of improving the efficiency of large scale turbulent flow simulations. The high-fidelity methods for modelling turbulent flows become available for a wider range of applications thanks to the…
A Full Band Monte Carlo simulator has been developed to consider phonon transmission across interfaces that are perpendicular to the heat flux. This solver of the Boltzmann transport equation which does not require any assumption on the…
We present a systematic study of the influence of cell geometry on the orientational distribution of microtubules (MTs) nucleated from a single microtubule organizing center (MTOC). For simplicity we consider an elliptical cell geometry, a…
We extended the multilevel Monte of Carlo (MLMC) approach to simulation of groundwater flow in porous media by incorporating direct measurements of medium properties. Numerical simulations of Waste Isolation Pilot Plant (WIPP) repository in…
Syntactic foams are a promising candidate for applications in marine and oil and gas industries in underwater cables and pipelines due to their excellent insulation properties. The effective transmission of electrical energy through cables…
The Cellular Potts Model (CPM) succesfully simulates drainage and shear in foams. Here we use the CPM to investigate instabilities due to the flow of a single large bubble in a dry, monodisperse two-dimensional flowing foam. As in…
Three dimensional simulations on the viscous folding in diverging microchannels reported by Cubaud and Mason are performed using the parallel code BLUE for multi-phase flows. The more viscous liquid L_1 is injected into the channel from the…
Many problems of practical interest rely on Continuous-time Markov chains~(CTMCs) defined over combinatorial state spaces, rendering the computation of transition probabilities, and hence probabilistic inference, difficult or impossible…
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,…
Membrane filtration is widely used in water treatment to remove foulants from contaminated water. Foulant build-up on the membrane occludes the area open for fluid flow, which impairs the efficiency of the filtration operation by decreasing…
A physics-informed convolutional neural network is proposed to simulate two phase flow in porous media with time-varying well controls. While most of PICNNs in existing literatures worked on parameter-to-state mapping, our proposed network…
Fluid flow through layered materials with different wetting behavior is observed in a wide range of applications in biological, environmental and technical systems. Therefore, it is necessary to understand the occuring transport mechanisms…
Computational models have become an essential part of exploratory protocols in cell biology, as a complement to in vivo or in vitro experiments. These virtual models have the twofold advantage of enabling access to new types of data and…
In this paper we outline the development of a scalable PBF thermal history simulation built on CAPL and based on melt pool physics and dynamics. The new approach inherits linear scalability from CAPL and has three novel ingredients.…
This paper investigates experimentally and numerically the dynamics of solid particles during the layer inversion of binary solid-liquid fluidized beds in narrow tubes. Layer inversion can happen in solid classifiers and biological…