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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Calculation of Groundwater Pathway Radiological Dose for the Hanford Site Composite Analysis Null-Space Model Carlo Flow Model Set

The purpose of this environmental calculation file (ECF) is to present the results of the exposure route-specific and total radiological dose assessments for the groundwater pathway based on the null space Monte Carlo (NSMC) groundwater concentrations as a part an uncertainty analysis for the updated Hanford Site Composite Analysis (CA). The Plateau-to River (P2R) Groundwater Model (CP-57037, Model Package Report: Plateau to River Groundwater Model Version 8.3) is the CA base case that simulates the fate and transport of radiological contaminants within the saturated zone of the uppermost aquifer beneath the Central Plateau and downgradient to the Columbia River. An NSMC analysis was performed to identify and quantify the potential uncertainties associated with the P2R Model. The result of the NSMC analysis is a set of flow and transport simulations that provide an estimated range of possible outcomes that are used to quantify the uncertainty associated with the simulated base case concentrations.

54 ENVIRONMENTAL SCIENCES↗

A unified non-equilibrium phase change model for injection flow modeling

The homogenous relaxation model (HRM) is one of the most widely used models to describe the liquid- gas phase transition. However, in its original formulation, it is unable to handle multispecies vapor-liquid equilibrium (VLE), which limits its applicability to single-component fluids. In this work, a unified non-equilibrium phase change model that considers the VLE of multicomponent mixtures is proposed building upon the HRM's structure. A time factor is introduced to mimic the effect of different phase change timescales due to different mechanisms, e.g., cavitation, flash-boiling, and evaporation. Here to assess the model's performance, computational fluid dynamics simulations of the internal and near-nozzle injection flow of the Engine Combustion Network's Spray G injector were performed using the nine-component PACE-20 fuel with both the unified model and the original HRM. The predicted fuel density in the near-nozzle region matched well with X-ray tomography measurements. The simulation results indicated that, whereas the HRM failed to capture the vaporization due to convective mixing between the fuel and ambient gas, the unified model performed well in predicting the mixing-driven vaporization and the corresponding evaporative cooling. Further comparisons using the nine-component fuel formula and a single-component fuel surrogate demonstrated the unified model's ability to predict preferential vaporization, which affects the predictions of local mixture composition and rate of vaporization. Finally, it is shown that the unified model is capable of representing multiple phase change mechanisms, and the relaxation time factor plays an important role in determining the degree of phase change due to the different mechanisms.

33 ADVANCED PROPULSION SYSTEMS↗

Development of a multiphase PIC model for slurry flow modeling

MFIX-Exa is a recently released multiphase CFD code originally developed for the simulation of particle-laden gas-solid flows. Due to its high-performance computing capabilities, MFIX-Exa is an ideal candidate for scale-up studies of slurry reactors, specifically the coarse-grained particle-in-cell (PIC) model with its statistical treatment of the particle phase. Unfortunately, several physical models that were neglected during original development because they are not relevant for high-density ratio gas-solid flows are important in slurry flows where the particle-to-fluid density ratio is near unity. In this preliminary work we focus on the effective (suspension) viscosity. The models of Brinkman (1952), Krieger and Dougherty (1956), and Cheng and Law (2003) are considered. The impact of the effective viscosity model is studied on horizontal pipe flow. The experimental data of Gillies et al. (2002) is used to assess the pressure drop predictions.

Fullmer, William D.↗

Finding Hidden Patterns in High Resolution Wind Flow Model Simulations

Wind flow data is critical in terms of investment decisions and policy making. High resolution data from wind flow model simulations serve as a supplement to the limited resource of original wind flow data collection. Given the large size of data, finding hidden patterns in wind flow model simulations are critical for reducing the dimensionality of the analysis. In this work, we first perform dimension reduction with two autoencoder models: the CNN-based autoencoder (CNN-AE) [1], and hierarchical autoencoder (HIER-AE) [2], and compare their performance with the Principal Component Analysis (PCA). We then investigate the super-resolution of the wind flow data. By training a Generative Adversarial Network (GAN) with 300 epochs, we obtained a trained model with 2× resolution enhancement. We compare the results of GAN with Convolutional Neural Network (CNN), and GAN results show finer structure as expected in the data field images. Also, the kinetic energy spectra comparisons show that GAN outperforms CNN in terms of reproducing the physical properties for high wavenumbers and is critical for analysis where high-wavenumber kinetics play an important role.

97 MATHEMATICS AND COMPUTING↗

Go with the flow: modeling unique biological flows in engineered in vitro platforms

Interest in recapitulating in vivo phenomena in vitro using organ-on-a-chip technology has grown rapidly and with it, attention to the types of fluid flow experienced in the body has followed suit. These platforms offer distinct advantages over in vivo models with regards to human relevance, cost, and control of inputs (e.g., controlled manipulation of biomechanical cues from fluid perfusion). Given the critical role biophysical forces play in several tissues and organs, it is therefore imperative that engineered in vitro platforms capture the complex, unique flow profiles experienced in the body that are intimately tied with organ function. In this review, we outline the complex and unique flow regimes experienced by three different organ systems: blood vasculature, lymphatic vasculature, and the intestinal system. Here, we highlight current state-of-the-art platforms that strive to replicate physiological flows within engineered tissues while introducing potential limitations in current approaches.

42 ENGINEERING↗

Convex Optimization of Integrated Power-Gas Energy Flow Model With Applications to Probabilistic Energy Flow

Energy flow calculation is a fundamental problem of the integrated power and gas system (IPGS) operation and planning. However, the nonlinear gas flow model introduces major challenges to the energy flow calculation. In this paper, we propose a tractably convex optimization model to solve the energy flow problem in IPGSs. It is demonstrated that the proposed optimization model has the same optimal solution as the original nonlinear steady energy flow model. Also, piecewise linearization is adopted to tightly linearize the nonlinear objective function of the model, which transforms the formulated convex optimization into a linear program one. Thus, the computation complexity of the proposed energy flow model is significantly reduced as compared with the existing methods. In addition, the proposed model can be extended to probabilistic energy flow estimation. Extensive case studies are conducted to validate the effectiveness of the proposed energy flow model using three IPGSs.

42 ENGINEERING↗

Uniting Surface Properties With Hydrodynamic Roughness in Shallow Overland Flow Models

Describing flow resistance from the properties of an underlying surface is a challenge in surface hydrology. Runoff models must specify a resistance formulation or “roughness scheme”—describing the functional relationship between flow resistance and flow depth/velocity—and its parameters. Uncertainty in runoff predictions derives from both the selected roughness scheme (e.g., Darcy Weisbach, Manning's, or laminar flow equations), and its parameterization with a roughness coefficient (e.g., Manning's n). Both choices are informed by model calibration to data, usually discharge, and, if available, velocity. In this study, a Saint Venant Equation-based runoff model is calibrated to discharge and velocity data from 112 rainfall simulator experiments. The results are used to identify the optimal roughness scheme among four widely-used options for each experiment, and to explore whether surface properties can be used to select the optimal roughness scheme and its coefficient. Among the tested roughness schemes, a transitional flow equation provided the best fit to the plurality of experiments. The most suitable roughness scheme for a given experiment was not related to measured surface properties. Regression models predicted the calibrated roughness coefficients with adjusted values between 0.48 and 0.54, depending on the roughness scheme used. Litter cover was the best predictor of the roughness coefficient, followed by soil cover and average canopy gap size. The results suggest that selection of an optimal roughness scheme based on surface properties alone remains difficult, but that once a scheme is selected, roughness coefficients can be estimated from surface properties.

54 ENVIRONMENTAL SCIENCES↗

Nanopore networks in colloidal silica assemblies characterized by XCT for confined fluid flow modeling

Fluid flow through nanopore structures has exhibited different behavior than that described by Darcy's law, derived from pore networks of micrometer scale. Here, pressure assemblies of colloidal silica spheres of specified diameters from 94 to 620 nanometers were prepared as model nano-porous media. The smaller silica spheres tended to form random packing, but some substantial ordering was found in the packing of the larger silica spheres. X-ray computed tomography (XCT), with a voxel resolution of 16 nm, was used to characterize the nanopore networks. The porosity of the Nano-XCT pore network (34%) was less than the total porosity of the assemblies as determined by X-ray attenuation (52%), possibly due to the limits of voxel resolution during segmentation. Fluid flow in the nanopore networks was simulated using the single-phase Lattice Boltzmann Method, and the simulated permeability was compared with the empirical and experimental values. Based on our characterization, although a well-ordered packing of silica spheres was not achieved, it was found that the nanopore networks in the colloidal silica assemblies had pore size distributions corresponding to the particle sizes. The simulated permeability was less than the experimental measurement for water flow, but the complex packing of silica spheres and surface chemistry issues need to be considered in future research.

02 PETROLEUM↗

Elastic Flow Modeling for Hydropower Digital Twins

This report details the elastic, unsteady, one-dimensional flow equations that are used to model flow through a penstock in a hydropower facility. The elastic flow model is accurate even in cases of fast transients, long penstock length, and high gravitation head. The compressibility of the water and elasticity of the pipe walls are explicitly accounted for in the developed models so that the water hammer phenomena can be accurately captured. The elastic flow model is coupled to a mechanistic turbine model to resolve the dynamic feedbacks between the elastic water column and the turbine rotation rate. A finite volume method is employed to solve the governing equations, and the method is shown to have low numerical diffusion in sharp gradient phenomena, such as those encountered when simulating water hammer. The method is applied to single dimensional linear advection benchmark problem and numerical results are compared with analytic results. This is followed on by an application to a full hydropower system with a coupled turbine. The elastic flow model results are compared against an inelastic model.

13 HYDRO ENERGY↗

One Dimensional Penstock Flow Models for Hydropower Digital Twin

This report details the inelastic, unsteady, one-dimensional flow equations that are used to model flow through a penstock in a hydropower facility. The flow model is coupled to a mechanistic turbine model to compute the rotation rate of the turbine, which is dependent on the flow rate, gravitational head, and various parameters of the machine, such as inlet vane angle. Results are given for an example hydropower facility in which the turbine is subjected to a specified time-varying load, and the results on the flow rate are shown. Future applications for the flow model are also briefly reviewed.

13 HYDRO ENERGY↗

Temperature-based reactive flow model for triaminotrinitrobenzene (TATB) plastic bonded explosives

A new reactive flow model is presented for triaminotrinitrobenzene (TATB)-based plastic bonded explosives, applicable to shock initiation and steady detonation problems of differing initial temperature. Temperature disequilibrium is assumed between unreacted explosive, material in the vicinity of compressed defects (called hot spots), and reaction products. The model incorporates temperature-dependent decomposition reaction rates. Particularly, Arrhenius model parameters were derived from quantum-based molecular dynamics simulations of TATB decomposition. Further, a model of detonation carbon aggregation is incorporated, describing the slow release of energy inherent to detonation in TATB-based materials. Model parameters were calibrated against gas gun shock initiation experiments and steady detonation rate stick tests. The predictive ability of the model in the shock initiation regime is tested against recent thin pulse experiments. The model is found to perform equally well in predicting the size-effect curve of ambient, cold, and hot rate sticks. The present work demonstrates the viability of incorporating results from subscale simulations into a continuum-scale reactive flow model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Physically rigorous reduced-order flow models of fractured subsurface environments without explosive computational cost

Fractured media models comprise discontinuities of multiple lengths (e.g. fracture lengths and apertures, wellbore area) that fall into the relatively insignificant length scales spanning millimeter-scale fractures to centimeter-scale wellbores in comparison to the extensions of the field of interest, and challenge the conventional discretization methods imposing highly-fine meshing and formidably large numerical cost. By utilizing the recent developments in the finite element analysis of electromagnetics that allow to represent material properties on a hierarchical geometry, this project develops computational capabilities to model fluid flow, heat conduction, transport and induced polarization in large-scale geologic environments that possess geometrically-complex fractures and man-made infrastructures without explosive computational cost. The computational efficiency and robustness of this multi-physics modeling tool are demonstrated by considering various highly-realistic complex geologic environments that are common in many energy and national security related engineering problems.

42 ENGINEERING↗

A scalable compressible volume of fluid solver using a stratified flow model

Here, in this paper, a Volume of Fluid method which uses a Stratified Flow model for flux calculation is proposed to solve a compressible multiphase flow in a way that has high parallel efficiency. The solver is part of an open-source computing tool to study fuel entrainment and combustion in the application of paraffin-based hybrid rocket motors. This paper focuses on the compressible Volume of Fluid solver for the liquid and gaseous phases in this environment. This solver uses perfect gas and stiffened gas models for equation of state, with the ability to easily add other models as desired. Additionally a comparison of a Riemann solver versus an AUSM+up scheme is conducted, showing improvement with the later in the solution of multiphase flows. This solver successfully reproduces shock tube cases with the expected accuracy, as well as simulating two-dimensional shear and gravity-driven flows. Results also show that the code is able to utilize a Stratified Flow model to evaluate shear flow without the need for interface reconstruction or gradient calculations. Finally, it is shown that the solver has near-ideal scaling under strong scaling tests as well as good performance in static scaling, giving improved performance over current options and implying future advancement of high-performance computing efficiency for multiphase flow solvers.

97 MATHEMATICS AND COMPUTING↗

Multicontinuum Flow Models for Assessing Two-Phase Flow in Containment Science

We present a new pre-processor tool written in Python that creates multicontinuum meshes for PFLOTRAN to simulate two-phase flow and transport in both the fracture and matrix continua. We discuss the multicontinuum modeling approach to simulate potentially mobile water and gas in the fractured volcanic tuffs at Aqueduct Mesa, at the Nevada National Security Site.

58 GEOSCIENCES↗

Recent Code Developments/Improvements to SAM Multi-dimensional Flow Model

The System Analysis Module (SAM) is under development at Argonne National Laboratory as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. In addition to its conventional one-dimensional flow network module, the multi-dimensional flow model of SAM offers significant benefits to its end-users, including the U.S. NRC, who uses it to develop reference models for advanced reactor concepts. This report provides a summary of the recent progress achieved under DOE-NE’s Nuclear Energy Advanced Modeling and Simulation program in the continuous code development and improvements of the SAM code, specifically its multi-dimensional flow model. The improvements include enhancements to the physical model, code usability, addressing user feedback, and compliance with the SQA program standards that aim to enhance and maintain the quality of the software.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗