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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Turbulent transport modelling of separating and reattaching shear flows

The improvement of capabilities for computer simulation of turbulent recirculating flows was investigated. Attention has been limited to two dimensional flows and principally to statistically stationary motion. Improvement of turbulence modeling explored the treatment of the near wall sublayer and of the exterior fully turbulent region, working within the framework of turbulence closures requiring the solution of transport equations for the turbulence energy and its dissipation rate. The work on the numerical procedure, based on the Gosman-Pun program TEACH, addressed the problems of incorporating the turbulence model as well as the extension to time dependent flows, the incorporation of a third order approximation of convective transport, and the treatment of non-orthogonal boundaries.

Launder, B. E.↗
DOE OSTI2021

Ambiguities in the hadro-chemical freeze-out of Au+Au collisions at SIS18 energies and how to resolve them

The thermal fit to preliminary HADES data of Au+Au collisions at $\sqrt{s_{NN}}$=2.4 GeV shows two degenerate solutions at T≈50 MeV and T≈70 MeV. The analysis of the same particle yields in a transport simulation of the UrQMD model yields the same features, i.e. two distinct temperatures for the chemical freeze-out. While both solutions yield the same number of hadrons after resonance decays, the feeddown contribution is very different for both cases. This highlights that two systems with different chemical composition can yield the same multiplicities after resonance decays. The nature of these two minima is further investigated by studying the time-dependent particle yields and extracted thermodynamic properties of the UrQMD model. It is confirmed, that the evolution of the high temperature solution resembles cooling and expansion of a hot and dense fireball. The low temperature solution displays an unphysical evolution: heating and compression of matter with a decrease of entropy. These results imply that the thermal model analysis of systems produced in low energy nuclear collisions is ambiguous but can be interpreted by taking also the time evolution and resonance contributions into account.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Verification and benchmarking relativistic electron beam transport through a background gas

It is necessary to establish confidence in high-consequence codes containing an extensive suite of physics algorithms in the regimes of interest. Verification problems allow code developers to assess numerical accuracy and increase confidence that specific sets of model physics were implemented correctly in the code. The two main verification techniques are code verification and solution verification. In this work, we present verification problems that can be used in other codes to increase confidence in simulations of relativistic beam transport. Specifically, we use the general plasma code EMPIRE to model and compare with the analytical solution to the evolution of the outer radial envelope of a relativistic charged particle beam. Additionally, we also outline a benchmark test of a relativistic beam propagating through a vacuum and pressurized gas cell, and present the results between EMPIRE and the hybrid code GAZEL. Further, we discuss the subtle errors that were caught with these problems and detail lessons learned.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Experimental Steps toward a Density Law for Chlorine-Crediting Criticality Models of Aqueous Plutonium solutions

Criticality accident prevention is an essential safety consideration for all operations involving fissionable and fissile materials. Predictive criticality calculations using advanced neutron transport codes, such as Monte Carlo N-Particle Transport (MCNP), are invaluable tools for designing and implementing operational limits. While indispensable, these tools are limited by the quality and accuracy of the inputs that the user provides to define the modeled system. Parameters such as atomic composition, shape, and material density must be accurately defined to obtain a meaningful result. In the case of material property details for a plutonium model, accurate material characterization data is sometimes sparse. Thus limitations in calculation accuracy can be reduced by improving our knowledge of material properties in the targeted fissile systems. One of the biggest remaining challenges to accurately defining fissile systems is the description of aqueous fissile solutions. Even simple properties, such as density, are not well-known for fissile solutions relevant to nuclear energy and security. Described here are initial efforts undertaken to improve criticality calculation inputs for fissile plutonium chloride solutions in water. This effort is focused on experimentally determining accurate solution characteristics for ternary plutonium chloride/hydrochloric acid/water systems, by measurement of water activity and solution density. The effect of inputting experimental densities for these solutions into MCNP criticality calculations is compared to the traditional approach of modeling an idealized (and fictitious) plutonium-water mixture. Expansion of these efforts to a working density law for aqueous plutonium chloride solutions is also discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1996

Fluid Creep Effects on Near-Wall Solute Transport for Non-Isothermal Ampoules

There is a growing practical and theoretical interest in developing accurate macroscopic modelling for flows arising in chemical or physical vapor transport (VT) crystal growth experiments, including those conducted in reduced gravity environments. Rosner was the first person to point out that previously neglected rarefield gas dynamics phenomena (Stefan and bouyancy-driven flows) become rather important sources of convection. In particular, the combination of rarefaction and strong gradients of temperature (and/or concentration) tangential to the side-walls of the ampoule induces convective flows known as thermal (and concentration) 'creep' respectively. His order-of-magnitude estimates revealed that thermal creep effects can be non-negligible even at normal gravitational levels. On the macroscopic level, the bulk fluid mechanics can be adequately described by the familiar macroscopic equations as long as the boundary conditions are modified to account for the integrated effect of kinetic boundary layers adjacent to solid boundaries. Motivated by the growing importance of these phenomena, we have embarked on a series of computational studies to elucidate these fundamental creep-induced effects for a rarefied gas in simple, two-dimensional confined geometries. However, unlike previous related studies, we resort to a microscopic description of the gas, mathematically expressed by the Boltzmann integro-differential equation. We employ the direct simulation Monte Carlo (DSMC) method of Bird, the theoretical foundations and several practical applications. In the case of thermally induced flows, the no-time counter method of Bird is used, as implemented for a hard-sphere gas. The scheme has been also extended to account for realistic molecular interaction models, an extension necessary if the diffusion physics underlying concentration creep are to be captured.

Papadopoulos, Dimitrios↗
NASA NTRS1995

Fully-Explicit and Self-Consistent Algebraic Reynolds Stress Models

A fully-explicit, self-consistent algebraic expression for the Reynolds stress, which is the exact solution to the Reynolds stress transport equation in the 'weak equilibrium' limit for two-dimensional mean flows for all linear and some quasi-linear pressure-strain models, is derived. Current explicit algebraic Reynolds stress models derived by employing the 'weak equilibrium' assumption treat the production-to-dissipation (P/epsilon) ratio implicitly, resulting in an effective viscosity that can be singular away from the equilibrium limit. In the present paper, the set of simultaneous algebraic Reynolds stress equations are solved in the full non-linear form and the eddy viscosity is found to be non-singular. Preliminary tests indicate that the model performs adequately, even for three dimensional mean flow cases. Due to the explicit and non-singular nature of the effective viscosity, this model should mitigate many of the difficulties encountered in computing complex turbulent flows with the algebraic Reynolds stress models.

Girimaji, Sharath S.↗
NASA NTRS1993

Convective flow effects on protein crystal growth

The experimental setup for the in-situ high resolution optical monitoring of protein crystal growth/dissolution morphologies was substantially improved. By augmenting the observation system with a temperature-controlled enclosure, laser illumination for the interferometric microscope, and software for pixel by pixel light intensity recording, a height resolution of about two unit cells for lysozyme can now be obtained. The repartitioning of Na(+) and Cl(-) ions between lysozyme solutions and crystals was studied. Quite unexpectedly, it was found that the longer crystals were in contact with their solution, the lower was their ion content. The development of a model for diffusive-convective transport and resulting distribution of the growth rate on facets was completed. Results obtained for a realistic growth cell geometry show interesting differences between 'growth runs' at 1g and 0g. The kinematic viscosity of lysozyme solutions of various supersaturations and salt concentrations was monitored over time. In contrast to the preliminary finding of other authors, no changes in viscosity were found over four days. The experimental setup for light scattering investigations of aggregation and nucleation in protein solutions was completed, and a computer program for the evaluation of multi-angle light scattering data was acquired.

Rosenberger, Franz↗
DOE OSTI2020

Stress effects on flow and transport in three-dimensional fracture networks

We investigate the effects of various external stress regimes on fracture apertures, fluid flow, and solute transport in three-dimensional fracture networks. We use well-established geomechanics equations coupled with discrete fracture network modeling to characterize changes in primary flow paths within a complex network as a function of stress magnitude and orientation. These changes manifest in the alterations of the fluid flow field and are measured in terms of Eulerian and Lagrangian flow observables including solute transport, which is a key problem in many hydrologic applications. Changes in primary flow paths affect the solute transport in the network by promoting anomalously early arrival or long tailing behavior. However, early time arrival is not ubiquitous in anisotropically stressed networks and in most cases there is a delayed arrival of solute, which is attributed to (i) the presence of low-velocity zones normal to the flow direction, (ii) the angle between flow direction and major compressive principal stress directions, and (iii) changes in the primary flow paths (i.e., increases in tortuosity and active network structure). Overall, flows become more channelized in anisotropically stressed fracture networks than in unstressed and isotropically stressed networks.

58 GEOSCIENCES↗
DOE OSTI2024

A methodology to develop multi-physics dynamic fuel cell system models validated with vehicle realistic drive cycle data

Fuel cell (FC) technology has been identified as a technically attractive solution to decarbonize the transportation sector, especially for heavy-duty vehicles. In this context, the industry and the scientific community are in need of advanced fuel cell systems (FCS) models that are able to replicate real -world operating conditions. Due to the scarcity of said models in the open literature, this study aimed to develop a comprehensive methodology to calibrate and validate multi -physics dynamic FCS models. Therefore, the key contribution of this paper is the detailed description of the calibration process for each component and the calibration order. The specific focus here was to accurately describe the behavior of the FC stack as well as the cathode, anode, and cooling circuits of the balance of plant. The model was calibrated with the aid of experimental data from a Toyota Mirai FC electric vehicle, which was predominantly retrieved from the vehicle's Controller Area Network (CAN) bus system thereby negating the need for major intrusion into the powertrain system. The validation process was deemed successful with the model being able to truthfully replicate the characteristics of the FC vehicle operated on the World-wide harmonized Light duty Test Cycle (WLTC) 3b and US06 driving cycle. The time -resolved physical parameters such as the cathode pressure, mass flow, or the FC stack temperature were captured with high fidelity, while the overall performance parameters such as the H2 consumption in the stack and the system, and the compressor energy consumption were predicted accurately with a deviation lower than 0.47%, 1.75% and 1.89% with respect to the experimental data, respectively.

Lopez-Juarez, Marcos↗
NASA NTRS1984

Turbulent transport models for scramjet flowfields

Turbulence modeling approaches were examined from the standpoint of their capability to predict the complex flowfield features observed in scramjet combustions. Thus, for example, the accuracy of each turbulence model, with respect to the prediction of recirculating flows, was examined. It was observed that for large diameter ratio axisymmetric sudden expansion flows, a choice of turbulence model was not critical because of the domination of their flowfields by pressure forces. For low diameter ratio axisymmetric sudden expansions and planar backward-facing steps flows, where turbulent shear stresses are of greater significance, the algebraic Reynolds stress approach, modified to increase its sensitivity to streamline curvature, was found to provide the best results. Results of the study also showed that strongly swirling flows provide a stringent test of turbulence model assumptions. Thus, although flows with very high swirl are not of great practical interest, they are useful for turbulence model development. Finally, it was also noted that numerical flowfields solution techniques have a strong interrelation with turbulence models, particularly with the turbulent transport models which involve source-dominated transport equations.

Sindir, M. M.↗
DOE OSTI2022

System Analysis Modeling and Intermodal Transportation for Commercial Spent Nuclear Fuel

The United States Department of Energy (DOE) has long term goals to develop solutions for managing the nation’s spent nuclear fuel (SNF) and high-level waste (HLW) inventory. The Integrated Waste Management (IWM) program under the DOE office of Nuclear Energy (DOE-NE) is employing system-level engineering and analysis principles to inform potential future waste management system architectures. Managing the spent nuclear waste requires the use of system-level analysis software that takes various aspects of the fuel cycle into account like waste generation, on-site/centralized storage, transportation infrastructure, and long-term disposal. The Next Generation System Analysis Model (NGSAM) is an agent-based model that was developed to simulate the transportation and storage of SNF and HLW. As an agent-based model, NGSAM has the capability to detail the interaction and movement of individual components and groups, such as rail cars and casks. The SNF inventory from commercial nuclear reactors is currently in temporary storage at multiple locations spread across the United States. Shipping of SNF from these locations relies on one of three transportation modes: rail, heavy-haul truck, or barge. Out of the three modes identified, rail is generally the most preferred due to the size of the canisters and casks the SNF would be shipped in. However, under some scenarios, a direct rail route might not be readily available to a reactor site or improving the rail infrastructure at shutdown sites might be too cost-prohibitive for utilities to opt for a direct rail transfer. Under such scenarios, using a barge or heavy haul truck to de-inventory the site and transfer the SNF to a nearby intermodal transfer site with adequate rail infrastructure where the payload could be transferred to a rail car might prove to be an attractive option. This work initially presents the various intermodal transportation options that could be used to transfer SNF from reactor sites to rail cars. This is followed by exploring the operational steps in each of these modes to move the SNF from a reactor site and transfer it to a rail car. This work also presents the procedure of implementing the intermodal transfer methodology in NGSAM using various Java methods. Finally, the process times for accomplishing each of the individual steps are furnished. The implementation ideology, assumptions, and future steps are presented in this work.

Gadey, Harish Reddy↗
NASA NTRS1994

On the prediction of free turbulent jets with swirl using a quadratic pressure-strain model

Data from free turbulent jets both with and without swirl are used to assess the performance of the pressure-strain model of Speziale, Sarkar and Gatski which is quadratic in the Reynolds stresses. Comparative predictions are also obtained with the two versions of the Launder, Reece and Rodi model which are linear in the same terms. All models are used as part of a complete second-order closure based on the solution of differential transport equations for each non-zero component of the Reynolds stress tensor together with an equation for the scalar energy dissipation rate. For non-swirling jets, the quadratic model underestimates the measured spreading rate of the plane jet but yields a better prediction for the axisymmetric case without resolving the plane jet/round jet anomaly. For the swirling axisymmetric jet, the same model accurately reproduces the effects of swirl on both the mean flow and the turbulence structure in sharp contrast with the linear models which yield results that are in serious error. The reasons for these differences are discussed.

Younis, Bassam A.↗
DOE OSTI2020

Contaminant Transport Modeling for Technology Evaluation and Long-Term Monitoring in the Tims Branch Testbed, SC - 20343

Studies conducted at U.S. DOE sites have shown the presence of heavy metals, radionuclides, and volatile organic compounds in surface water, groundwater, and soil as a result of nuclear activity in the Cold War era. Since the 1990's, innovative cleanup methods have been implemented in the Tims Branch watershed at Savannah River Site (SRS) to limit the contaminant flux to the stream that have reduced the contaminant concentrations to acceptable regulatory levels in the dissolved phase. A tin-based treatment which effectively eliminated all local anthropogenic mercury inputs to this ecosystem resulted in a known step function addition of inert tin oxide particles which now serve as a potential tracer for sedimentation and particle transport processes in the stream. The long-term effectiveness of this and other remediation techniques and the potential for remobilization of adsorbed contaminant in sediment during extreme hydrologic conditions however remains unclear. It is therefore important to understand not only the fate and transport of dissolved contaminants, but also the movement of sediment and the relevant interactions with dissolved contaminant. To narrow this knowledge gap, a study is being conducted using the Tims Branch watershed as a stream-scale ecosystem test-bed to identify the primary transport processes of major contaminants of concern (such as mercury, nickel and uranium) with an emphasis on interactions with sediment transport. This involves the development of a fully distributed hydrologic watershed model of the Tims Branch watershed to predict streamflow under extreme weather conditions, as well as the development of a comprehensive contaminant transport model that can properly account for coupled contaminant and sediment transport. Review of relevant research reports and peer-reviewed journals revealed that aside from advection-dispersion transport of dissolved contaminants, adsorption and desorption with suspended solids and bed sediment also play an important role in the transport of those contaminants of concern. To develop the fully distributed hydrologic watershed model, the MIKE SHE 2-dimensional (2D) land surface/3D groundwater model that simulates surface/subsurface hydrologic processes (such as overland flow, evapotranspiration, and infiltration) was coupled with a 1D streamflow model that accounts for stream water hydraulics (such as hydraulic structures, cross-sections, and network). To model contaminant transport, the MIKE 11 streamflow component was coupled with the MIKE 11 AD module that simulates solute transport through advection and dispersion, and MIKE ECO Lab module that accounts for both sediment transport and interactions with dissolved contaminant. At this stage, the development and optimization of the fully distributed hydrologic model has been completed, achieving satisfactory statistical results between observed and predicted discharge as indicated by a root mean square error (RMSE) of 0.039 cms and a Nash-Sutcliffe efficiency coefficient (NSE) of 0.764. The ongoing development of the contaminant transport model has also yielded realistic results from preliminary tests. Results from this study are a key to evaluating the effectiveness of tin (II)-based mercury treatment of wetlands at the SRS site, and are also relevant to evaluating the potential of using this type of novel remediation technology in other mercury-contaminated stream systems. Knowledge acquired from this research will also support interpretation of historical data on the trends of contaminant concentration distribution in Tims Branch, particularly considering the effect of extreme hydrological events on the stream flow and pollutant transport. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Vacancy-mediated transport and segregation tendencies of solutes in fcc nickel under diffusional creep: A density functional theory study

The Nabarro-Herring (NH) diffusional creep theory postulates the vacancy-mediated transport of atoms under a stress gradient as the creep mechanism under low-stress and high-temperature conditions. In multicomponent alloys, we premise that this stress-assisted flow of vacancies to and from grain boundaries will produce elemental segregation. An observation of such segregation, validated with theoretical predictions, can provide the necessary experimental evidence for the occurrence of NH creep. Theoretical calculations of the segregation tendencies via analyzing the dominant solute diffusion mechanisms and the difference in diffusivities of the elements are therefore essential. To this end, this study applies density functional theory calculations of migration barriers and solute-vacancy binding energies as input to the self-consistent mean-field theory to assess the vacancy-mediated diffusion mechanisms, transport coefficients, and segregation tendencies of Co, Cr, Mo, Re, Ta, and W solutes in face-centered-cubic Ni. We find Co, Re, and W to be slow diffusers at high temperatures and Cr, Mo, and Ta to be fast diffusers. Further analysis shows that the slow diffusers tend to always enrich at vacancy sinks over a wide range of temperatures. In contrast, the fast diffusers show a transition from depletion to enrichment as the temperature lowers. Furthermore, our analysis of the segregation tendencies under tensile hydrostatic strains shows that slow diffusers are largely unaffected by the strain and favor enrichment. On the other hand, the fast diffusers exhibit high sensitivity to strain and their segregation tendency can transition from depletion to enrichment at a given temperature. Finally, the transport coefficients calculated in this work are expected to serve as input to mesoscale microstructure models to provide a more rigorous assessment of solute segregation under NH creep conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Prediction of local concentration fields in porous media with chemical reaction using a multi scale convolutional neural network

The study of solute transport in porous media is of interest in many chemical engineering systems. Some example applications include packed bed catalytic reactors, filtration devices, and batteries. The pore scale modeling of these systems is time consuming and may require large computing resources, for this reason computational fluid dynamics (CFD) simulations are not practical if a large number of simulations is required, like in multiscale modeling, where a model at a large scale calls for pore scale simulations. It has been shown that neural networks can be trained with a dataset of flow simulations and then predict fields orders of magnitude faster, and with less computational resources, in new domains. However, it is crucial to provide the neural network with an effective description of the domain and the undergoing operating conditions to be able to train models that generalize accurately in unseen samples. Therefore, research is needed to employ neural networks in new complex systems. The appropriate training of a network for predicting coupled flow and solute transport processes is an outstanding problem due to the complex interplay between geometry and operating conditions. In this work, we train a multi scale convolutional neural network (MSNet) with a diverse dataset of simulations of transport and chemical reaction in porous media to predict the local concentration fields in images of porous media. Our dataset contains a wide diversity of sphere pack arrangements under different operating conditions (Péclet and Reynolds numbers). Further, we train a robust model by employing different input descriptors that represent the medium and the different operating conditions of each system. Our trained model is able to provide nearly instantaneous predictions, compared to around twenty hours of the CFD workflow, with less than 3.5% error on new geometries and transport conditions. Thus the model could be easily integrated in a multiscale workflow where fast response is needed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Numerical Model for Cosmic Rays Species Production and Propagation in the Galaxy

In recent years, considerable progress has been made in studying the propagation and origin of cosmic rays, as new and more accurate data have become available. Many models have been developed to study cosmic ray interactions and propagation showed flexibility in resembling various astrophysical conditions and good agreement with observational data. However, some astrophysical problems cannot be addressed using these models, such as the stochastic nature of the cosmic rays source, small-scale structures and inhomogeneities in the interstellar gas that can affect radioactive secondary abundance in cosmic rays. We have developed a new model and a corresponding computer code that can address some of these limitations. The model depends on the expansion of the backward stochastic solution of the general diffusion transport equation (Zhang 1999) starting from an observer position to solve a group of diffusion transport equations each of which represents a particular element or isotope of cosmic ray nuclei. In this paper we are focusing on key abundance ratios such as B/C, sub-Fe/Fe, (10)Be/(9)Be, (26)Al/(27)Al, (36)Cl/(37)Cl and (54)Mn/(55)Mn, which all have well established cross sections, to evaluate our model. The effect of inhomogeneity in the interstellar medium is investigated. The contribution of certain cosmic ray nuclei to the production of other nuclei is addressed. The contribution of various galactic locations to the production of cosmic ray nuclei observed at solar system is also investigated.

Farahat, Ashraf↗
NASA NTRS2000

Age-of-Air, Tape Recorder, and Vertical Transport Schemes

A numerical-analytic investigation of the impacts of vertical transport schemes on the model simulated age-of-air and the so-called 'tape recorder' will be presented using an idealized 1-D column transport model as well as a more realistic 3-D dynamical model. By comparing to the 'exact' solutions of 'age-of-air' and the 'tape recorder' obtainable in the 1-D setting, useful insight is gained on the impacts of numerical diffusion and dispersion of numerical schemes used in global models. Advantages and disadvantages of Eulerian, semi-Lagrangian, and Lagrangian transport schemes will be discussed. Vertical resolution requirement for numerical schemes as well as observing systems for capturing the fine details of the 'tape recorder' or any upward propagating wave-like structures can potentially be derived from the 1-D analytic model.

Lin, S.-J.↗
DOE OSTI2024

Physics-informed State-space Neural Networks for transport phenomena

This work introduces Physics -informed State -space neural network Models (PSMs), a novel solution to achieving real-time optimization, flexibility, and fault tolerance in autonomous systems, particularly in transportdominated systems such as chemical, biomedical, and power plants. Traditional data -driven methods fall short due to a lack of physical constraints like mass conservation; PSMs address this issue by training deep neural networks with sensor data and physics -informing using components' Partial Differential Equations (PDEs), resulting in a physics -constrained, end -to -end differentiable forward dynamics model. Further, through two in silico experiments - a heated channel and a cooling system loop - we demonstrate that PSMs offer a more accurate approach than a purely data -driven model. In the former experiment, PSMs demonstrated significantly lower average root -mean -square errors across test datasets compared to a purely data -driven neural network, with reductions of 44 %, 48 %, and 94 % in predicting pressure, velocity, and temperature, respectively. Beyond accuracy, PSMs demonstrate a compelling multitask capability, making them highly versatile. In this work, we showcase two: supervisory control of a nonlinear system through a sequentially updated state -space representation and the proposal of a diagnostic algorithm using residuals from each of the PDEs. The former demonstrates PSMs' ability to handle constant and time -dependent constraints, while the latter illustrates their value in system diagnostics and fault detection.

42 ENGINEERING↗