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A multi-scale model is presented for predicting the magnitude and rate of powder blending in a rotating drum blender. The model combines particle diffusion coefficient correlations from the literature with advective flow field information…
DL_POLY Quantum 2.1 is introduced here as a highly modular, sustainable, and scalable general-purpose molecular dynamics (MD) simulation software for large-scale long-time MD simulations of condensed phase and interfacial systems with the…
Dissipative particle dynamics (DPD) is a novel particle method for mesoscale modeling of complex fluids. DPD particles are often thought to represent packets of real atoms, and the physical scale probed in DPD models are determined by the…
In industrial applications, developing predictive tools relying on numerical simulations using reduced-order models nourish the need of building a validation strategy. In the context of cryogenic atomization, we propose to build a hierarchy…
Decoupling approach presents a novel solution/alternative to the highly time-consuming fluid-thermal-structural simulation procedures when thermal effects and resultant displacements on machine tools are analyzed. Using high dimensional…
One of the current challenges in physically-based simulations, and, more specifically, fluid simulations, is to produce visually appealing results at interactive rates, capable of being used in multiple forms of media. In recent times, a…
Understanding the fundamental mechanisms of sediment transport, particularly those during the formation and evolution of bedforms, is of critical scientific importance and has engineering relevance. Traditional approaches of sediment…
The Direct Simulation Monte Carlo (DSMC) method was widely used to simulate low density gas flows with large Knudsen numbers. However, DSMC encounters limitations in the regime of lower Knudsen numbers (Kn<0.1). In such cases, approaches…
Dissipative particle dynamics (DPD) is a well-established mesoscale simulation method. However, there have been long-standing ambiguities regarding the dependence of its (purely repulsive) force field parameter on temperature as well as the…
New regulations are imposing noise emissions limitations for the aviation industry which are pushing researchers and engineers to invest efforts in studying the aeroacoustics phenomena. Following this trend, an in-house computational fluid…
The design and optimization of cryogenic propellant storage tanks for NASA's future space missions require fast and accurate predictions of long-term fluid behaviors. Computational fluid dynamics (CFD) techniques are high-fidelity but…
Coherent diffraction imaging (CDI) of single molecules at atomic resolution is a major goal for the x-ray free electron lasers (XFELs). However, during an imaging pulse, the fast laser-induced ionization may strongly affect the recorded…
The diffuse-interface model (DIM) is a tool for studying interfacial dynamics. In particular, it is used for modeling contact lines, i.e., curves where a liquid, gas, and solid are in simultaneous contact. As well as all other models of…
The never-ending computational demand from simulations of turbulence makes computational fluid dynamics (CFD) a prime application use case for current and future exascale systems. High-order finite element methods, such as the spectral…
We recently have presented first physical predictions of a spatially hybrid model that follows the evolution of a negative streamer discharge in full three spatial dimensions; our spatially hybrid model couples a particle model in the high…
A micro-hydromechanical model for granular materials is presented. It combines the discrete element method (DEM) for the modeling of the solid phase and a pore-scale finite volume (PFV) formulation for the flow of an incompressible pore…
This paper investigates two distinct approaches to the dynamic modeling of aerial continuum manipulators (ACMs): the decoupled and the coupled formulations. Both open-loop and closed-loop behaviors of a representative ACM are analyzed. The…
Charge Coupled Devices (CCDs) have been successfully used in several high energy physics experiments over the past two decades. Their high spatial resolution and thin sensitive layers make them an excellent tool for studying short-lived…
A coupling model of biomass fluidized bed gasification based on machine learning and computational fluid dynamics is proposed to improve the prediction accuracy and computational efficiency of complex thermochemical reaction process. By…
When objects are forced to flow through constrictions their transport can be frustrated temporarily or permanently due to the formation of arches in the region of the bottleneck. While such systems have been intensively studied in the case…