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Towards dynamic simulation of a whole cell model
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Ab initio Molecular Dynamics Simulations of Rare Earth (III) Ions Desorption from Silica Surfaces.
Abstract not provided.
Molecular Dynamics Simulations of Percolated Ionic Aggregates in PreciseSulfophenylated Polyethylene Polymers.
Abstract not provided.
Computational Fluid Dynamics Simulation of Compressible Non-Newtonian Biomass in a Compression-Screw Feeder
Compression-screw feeders play a critical role in biorefineries to transport lignocellulosic biomass feedstocks from the feeding hoppers to biomass-conversion reactors in order to pretreat and convert biomass to hydrocarbon liquid biofuels and other power and energy resources. One of the main challenges in the operation of screw feeder is plugging and jamming of compressed biomass with high concentration of insoluble solids. The focus of this paper is to numerically investigate the screw feeder at these challenging operating conditions and help with the optimization of the screw feeder design to avoid operation failure. In this work a customized CFD model based on open-source OpenFOAM package [1] was developed to simulate the concentrated biomass as a highly viscous non-Newtonian fluid in the screw feeder. The biomass is modeled as a single-phase compressible Bingham fluid with a plastic viscosity as well as a density-dependent yield stress. The compressibility formulation (pressure-dependent density) and the density-dependent yield stress formulation in the governing equations follow the suggestions from a recent study by Duncan et al. [2]. A pilot-scale hopper/screw feeding system at NREL [3] is used to compare the experimental observations with our simulation results. The auger is 280 mm long and tapered with outer diameter changing from 80 mm to 35 mm. The auger rotates from 10 to 60 rpm in a conical throat which contains anti-rotational bars. The simulations predicted the required torque for the screw feeder and the pressure increase at the exit for biomass feedstocks with various fluid viscosity properties and auger rotating speeds. The analysis of the stress forces helped to identify the critical conditions were the screw feeder excessive wear or jamming could occur.
Dynamic Simulation and Optimization of a Subcritical Coal-Fired Power Plant During Load-Ramping Operations
Paper for presentation at The 14th International Symposium on Process Systems Engineering (PSE 2021+), Kyoto, Japan, June 19-23, (2022).
Determination of the structure of lithium niobosilicate glasses by molecular dynamics simulation with a new Nb-O potential
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Start-to-End Beam-Dynamics Simulations of a Compact C-Band Electron Beam Source for High Spectral Brilliance Applications
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Scaling up Molecular Dynamics Simulations of High Velocity Particle Impacts
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Enabling long timescale molecular dynamics simulation with ab initio precision
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Enabling long timescale molecular dynamics simulation with ab initio precision
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Frequency Response Analysis of the Molten Salt Demonstration Reactor Dynamic Simulation Model in Transient Simulation Framework of Reconfigurable Models (TRANSFORM)
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Deciphering Perovskite Nanocrystals with Quantum Dynamics Simulations
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AN ISOGEOMETRIC APPROACH TO STREAMLINING HIGH-END STRUCTURAL DYNAMICS SIMULATION FOR AUTOMOTIVE AND OTHER APPLICATIONS
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Power System Toolbox updates to enable long-term variable time-step dynamic simulation.
Abstract not provided.
Active learning of continuum-scale mechanics by guiding discrete dislocation dynamics simulations
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A Dissipation-Based Method for Improving the Accuracy of Computational Fluid Dynamics Simulations of High Level Non-Newtonian Waste - 17351
Analysis of shear rate in dissipative scales of turbulence was performed using a quasi-direct numerical simulation (Q-DNS) of flow through a pipe involving Bingham fluid. Dependency of deformation rate on dissipative scales of turbulence was studied and a modification algorithm was developed and implemented in Reynolds-averaged Navier-Stokes (RANS) modeling of the same flow using the standard k-e model. It was shown that the modification was effective in increasing accuracy of the RANS simulations when the velocity profile was modified to match experimental data. In both the Q-DNS and RANS simulations, the Herschel-Bulkley (HB) rheology equation was used to relate shear stress of the non-Newtonian fluid to shear deformation. Additional analysis of dependency of shear on the turbulent dissipation rate (TDR) was performed using various flow conditions in RANS simulations with a modified viscosity model (alpha model). In the past, the alpha model has been shown to produce accurate simulations for the same flow conditions. Results of the analysis shows that a qualitative agreement exists between shear dependency in the RANS-alpha and Q-DNS-HB simulations when the ratio of velocity to length scale is used. (authors)
Direct molecular gas dynamics simulations of re-entry vehicles via the Boltzmann equation
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