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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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

CCSI Toolset 3.20 Release

CCSI Toolset 3.20 Release Highlights Minimum Viable Product surrogate plugin was added for creating Machine Learning/Artificial Intelligence models. Corresponding documentation was added for the plugin. Sequential Design of Experiments plots were updated to eliminate an issue with the window stack ordering upon closure of the plots. Support for Python 3.7 was removed. Documentation was improved by adding new mandatory section to the ReadTheDocs configuration and adding installation instructions back for NLOpt. TurbineLite was updated to 3.0.0, which is compatible with SimSinter 3.0.0. The developer environment was updated and 32-bit support was removed. SimSinter was updated to 3.0.0. This version removed gPROMS support and included security updates.

AS↗
NASA NTRS1976

Time-dependent radio fine structure of the quasar 3C 345

Results are reported for VLBI observations of 3C 345 at a wavelength of 3.8 cm with left circular polarization. Sixteen sets of correlated flux densities and three sets of closure phases were obtained from observations made over a three-year period with six independent interferometers formed from up to four antennas. The mathematical models employed to represent the radio brightness distribution of the source are described, and the data are analyzed on the basis of a two-component model. The results show that the compact source in 3C 345 consists of two components whose separation increased by about 0.3 milliarcsec over the observational period, that the smaller and weaker component is to the east and south of the larger and stronger one, and that the apparent expansion velocity would be about 2.5c for a redshift of 0.6, a Hubble constant of 60 km/sec per Mpc, and a deceleration parameter of unity. It is concluded that these findings are difficult to reconcile with the 'Christmas tree' model for the apparent change of separation with time over any given series of observations.

Wittels, J. J.↗
NASA NTRS1987

Mass balances for a biological life support system simulation model

Design decisions to aid the development of future space based biological life support systems (BLSS) can be made with simulation models. The biochemistry stoichiometry was developed for: (1) protein, carbohydrate, fat, fiber, and lignin production in the edible and inedible parts of plants; (2) food consumption and production of organic solids in urine, feces, and wash water by the humans; and (3) operation of the waste processor. Flux values for all components are derived for a steady state system with wheat as the sole food source. The large scale dynamics of a materially closed (BLSS) computer model is described in a companion paper. An extension of this methodology can explore multifood systems and more complex biochemical dynamics while maintaining whole system closure as a focus.

Volk, Tyler↗
NASA NTRS2015

Basin-Scale Assessment of the Land Surface Energy Budget in the National Centers for Environmental Prediction Operational and Research NLDAS-2 Systems

This paper compares the annual and monthly components of the simulated energy budget from the North American Land Data Assimilation System phase 2 (NLDAS-2) with reference products over the domains of the 12 River Forecast Centers (RFCs) of the continental United States (CONUS). The simulations are calculated from both operational and research versions of NLDAS-2. The reference radiation components are obtained from the National Aeronautics and Space Administration Surface Radiation Budget product. The reference sensible and latent heat fluxes are obtained from a multitree ensemble method applied to gridded FLUXNET data from the Max Planck Institute, Germany. As these references are obtained from different data sources, they cannot fully close the energy budget, although the range of closure error is less than 15%formean annual results. The analysis here demonstrates the usefulness of basin-scale surface energy budget analysis for evaluating model skill and deficiencies. The operational (i.e., Noah, Mosaic, and VIC) and research (i.e., Noah-I and VIC4.0.5) NLDAS-2 land surface models exhibit similarities and differences in depicting basin-averaged energy components. For example, the energy components of the five models have similar seasonal cycles, but with different magnitudes. Generally, Noah and VIC overestimate (underestimate) sensible (latent) heat flux over several RFCs of the eastern CONUS. In contrast, Mosaic underestimates (overestimates) sensible (latent) heat flux over almost all 12 RFCs. The research Noah-I and VIC4.0.5 versions show moderate-to-large improvements (basin and model dependent) relative to their operational versions, which indicates likely pathways for future improvements in the operational NLDAS-2 system.

Energy↗
DOE OSTI2024

CIGS Technology Advancement via Fundamental Modeling of Defect/Impurity Interactions (Final Technical Report)

The primary goals of the proposed work were to provide modeling tools (and the associated insight which comes along with model development) for design and optimization of CuIn x Ga 1-x Se 2 (CIGS) and CdSeTe (CST) solar cell manufacturing processes and to establish the foundation for comprehensive end-to-end predictive modeling tools to enable optimization of thin film photovoltaic technology for performance, cost, yield, and reliability. The initial focus of efforts within this project was to develop coupled process/optical/device models for CIGS PV technology and to work with Siva Power to apply that TCAD (technology computer-aided design) system to improve the efficiency and reduce manufacturing costs for CIGS solar cells. Our approach to that end was to generate an extensive database of DFT calculations and to use those calculations via statistical thermodynamics methods and Monte Carlo simulation to develop and characterize models for the behavior of native defects as well as intentional and unintentional impurities, including the redistribution of the primary components of CIGS films. Increased effort went toward coupling those models for defect behavior and composition evolution to the performance of multicrystalline CIGS solar cells via prediction of doping level and recombination lifetime as function of manufacturing process. In the second budget period, the project pivoted to developing a similar system for the CdSeTe system, focused especially on understanding the role of Se/Te alloy concentration. Execution of the project resulted in the successful development of TCAD systems for both CIGS and CdSeTe thin film PV within the Synopsys Sentaurus framework by utilizing the Alagator interface. In the first budget period of the project, we developed quantitative models for the major components of CIGS PV and implemented them within a framework that couples process, optical, and device simulation. From the insights we have gained, we identified novel opportunities for enhancing CIGS solar cell performance and have laid the groundwork to further optimize the layer structure, composition profile, and thermal cycles for substantially improved efficiency and lower manufacturing costs. For the CIGS system, process changes to achieve greater than 1% absolute enhancement in efficiency were identified, but testing of those approaches was stymied by lack of a domestic CIGS manufacturing partner after the closure of Siva Power as well as Miasole. For CdSeTe, a fully capable TCAD system only became ready to apply near the end of the project period, so substantial opportunities remain to apply those models to enhance the leading thin film PV technology.

14 SOLAR ENERGY↗
DOE OSTI2021

Flowback Test Analyses at the Utah Frontier Observatory for Research in Geothermal Energy (FORGE) Site

Abstract In 2017 and 2019, injection testing was carried out in three zones in a vertical well in granite at the Frontier Observatory for Research in Geothermal Energy site near Milford, Utah, USA. In several injection cycles, flowback was implemented rather than shut-in. The goal was to explore an alternative to prolonged shut-in periods for inferring closure stress, formation compressibility, and formation permeability (permeability thickness product). The flowback procedures involved a cyclic flowback/shut-in, while pressure decreased. The flowback data are presented, and analyses are shown. The inferred closure stress(es) from flowback analyses are lower than for equivalent injection cycles that were strictly shut-in. Relatively high formation compressibility obtained from the flowback analyses indicates an extensive, fractured system. This study also includes numerical simulation of the flowback events. The numerical model shows that the rebound pressure is not necessarily the lower bound of the minimum principal stress. The signature of stiffness change can be identified as the process when the depletion mainly transitions from hydraulic fracture to natural fractures from numerical analysis. Overall, flowback potentially has advantages over shut-in because of the reduced time to closure.

15 GEOTHERMAL ENERGY↗
NASA NTRS2002

Scale Closure in Upper Ocean Optical Properties: From Single Particles to Ocean Color

Predictions of chlorophyll concentration from satellite ocean color are an indicator of primary productivity, with implications for foodwebs, fisheries, and the global carbon cycle. Models describing the relationship between optical properties and chlorophyll do not account for much of the optical variability observed in natural waters, because of the presence of seawater constituents that do not covary with phytoplankton pigments. in order to understand variability in these models, the optical contributions of seawater constituents were investigated. A combination of Mie theory and flow cytometry was used to determine the diameter, complex refractive index, and optical cross-sections of individual particles. In New England continental shelf waters, eukaryotic phytoplankton were the main particle contributors to absorption and scaftering. Minerals were the main contributor to backscattering (bb) in the spring, whereas in the summer both minerals and detritus contributed to bb. Synechococcus and heterotrophic bacteria were relatively unimportant optically. Seasonal differences in the spectral shape of remote sensing reflectance, Rrs, were contributed to approximately equally by eukaryotic phytoplankton absorption, dissolved absorption, and non-phytoplankton bb. Differences between measurements of bb and Prs and modeled values based on chlorophyll concentration were caused by higher dissolved absorption and non-phytoplankton bb than were assumed by the model.

Green, Rebecca E.↗
DOE OSTI2022

Hanford Site Composite Analysis: LLBG-200-W B Vadose Zone Model

The objectives of the vadose modeling for the updated Hanford Site Composite Analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates to the CA saturated zone model (CP-57037, Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed “dry” in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort: carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230). The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070. The parallel version of the Subsurface Transport Over Multiple Phases (STOMP 1 ) simulator, officially named the exascale Subsurface Transport Over Multiple Phases (eSTOMP), is used to simulate flow and transport for the vadose models. The documentation for the STOMP code is comprehensive. The theoretical and numerical approaches applied in the STOMP code are documented in a published theory guide (PNNL-12030, STOMP Subsurface Transport Over Multiple Phases Version 2.0 Theory Guide). The code has undergone a rigorous verification procedure against analytical solutions, laboratory-scale experiments, and field-scale demonstrations. The application guide (PNNL-11216, STOMP Subsurface Transport Over Multiple Phases Application Guide) provides instructive examples in the application of the code to classical groundwater problems. The user’s guide (PNNL-15782, STOMP: Subsurface Transport Over Multiple Phases Version 4.0: User’s Guide) describes the general use, input file formatting, compilation, and execution of the code. The primary output of the vadose zone modeling is radionuclide transfer rates to the groundwater for input into the saturated zone model. The rates will be summed over the 100 by 100 m saturated zone model grid cells that fall within the vadose zone model source domain.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1990

Radiative diffusivity factors in cirrus and stratocumulus clouds: Application to two-stream models

A diffusion-like description of radiative transfer in clouds and the free atmosphere is often used. The two stream model is probably the best known example of such a description. The main idea behind the approach is that only the first few moments of radiance are needed to describe the radiative field correctly. Integration smooths details of the angular distribution of specific intensity and it is assumed that the closure parameters of the theory (diffusivity factors) are only weakly dependent on the distribution. The diffusivity factors are investigated using the results obtained from both Stratocumulus and Cirrus phases of FIRE experiment. A new theoretical framework is described in which two (upwards and downwards) diffusivity factors are used and a detailed multistream model is used to provide further insight about both the diffusivity factors and their dependence on scattering properties of clouds.

Stephens, Graeme L.↗
DOE OSTI2021

Explicit physics-informed neural networks for nonlinear closure: The case of transport in tissues

In upscaling methods, closures for nonlinear problems present a well-known challenge. While a number of theoretical methods have been proposed for handling such closures, nonlinearities still remain a significant obstacle for many problems. In this work, we use a combination of formal upscaling and data-driven machine learning for explicitly closing a nonlinear transport and reaction process in multiscale tissues. The classical effectiveness factor model is used to formulate the macroscale reaction kinetics. We train a multilayer perceptron network using training data generated by direct numerical simulations over microscale examples. Once trained, the network is used in an algorithm for numerically solving the upscaled (coarse-grained) differential equation describing mass transport and reaction in two example tissues. The network is described as being explicit in the sense that the network is trained using macroscale concentrations and gradients of concentration as components of the feature space rather than incorporating them as part of a constraint in the optimization process. Network training and solutions to the macroscale transport equations were computed for two different tissues. The two tissue types (brain and liver) exhibit markedly different geometrical complexity and spatial scale (cell size and sample size). The upscaled solutions for the average concentration are compared with numerical solutions derived from the microscale concentration fields by a posteriori averaging. There are three outcomes of this work of particular note. 1) Our overall approach results in an upscaled nonlinear PDE. The PDE is closed using a neural network, and our approach results in the definition of the classical effectiveness factor for effecting closure. 2) We identify particular source terms for the closure problem that are important for representing the structure of the closure. These source terms involve macroscale concentrations and their gradients. We adopt these source terms to use as explicit features in the learning algorithm. We find the trained networks that include the macroscale source terms generate models that are able to predict the correction factor with increased fidelity over those that do not. 3) We find that the trained network exhibits good generalizability, and it is able to predict the effectiveness factor with high fidelity for realistically-structured tissues despite the significantly different scale and geometrical complexity of the two example tissue types. This latter result emphasizes our purposeful connection between conventional averaging methods with the use of machine learning for closure; this contrasts with some machine learning methods for upscaling where the exact form of the macroscale equation remains unknown.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

On Two-Phase Pressure and Temperature Equilibration with Mie-Grüneisen Equations of State

In the course of reactive flow modeling, the phases of high explosive (HE) reactants and products introduce additional degrees of freedom to the underlying hydrodynamic equations of compressible reactive fluid mechanics. Hydrodynamic simulations track the bulk (mixture) conservation properties of mass, momentum and energy. When multiple phases are introduced, one must decide on appropriate closure rules to determine the relative phase volumes and energy distribution between the phases. One typical closure is to assume that the phases are in pressure and temperature equilibrium. Here, the requisite equations of p-T equilibration are explored for Mie-Grüneisen Equations of State (EOS). Examples with Davis reactants and Davis products EOSs will be given. The Davis forms are used in both the WSD and AWSD reactive flow models.

42 ENGINEERING↗
NASA NTRS2011

Waterhammer Transient Simulation and Model Anchoring for the Robotic Lunar Lander Propulsion System

Waterhammer transients have the potential to adversely impact propulsion system design if not properly addressed. Waterhammer can potentially lead to system plumbing, and component damage. Multi-thruster propulsion systems also develop constructive/destructive wave interference which becomes difficult to predict without detailed models. Therefore, it is important to sufficiently characterize propulsion system waterhammer in order to develop a robust design with minimal impact to other systems. A risk reduction activity was performed at Marshall Space Flight Center to develop a tool for estimating waterhammer through the use of anchored simulation for the Robotic Lunar Lander (RLL) propulsion system design. Testing was performed to simulate waterhammer surges due to rapid valve closure and consisted of twenty-two series of waterhammer tests, resulting in more than 300 valve actuations. These tests were performed using different valve actuation schemes and three system pressures. Data from the valve characterization tests were used to anchor the models that employed MSCSoftware.EASY5 v.2010 to model transient fluid phenomena by using transient forms of mass and energy conservation. The anchoring process was performed by comparing initial model results to experimental data and then iterating the model input to match the simulation results with the experimental data. The models provide good correlation with experimental results, supporting the use of EASY5 as a tool to model fluid transients and provide a baseline for future RLL system modeling. This paper addresses tasks performed during the waterhammer risk reduction activity for the RLL propulsion system. The problem of waterhammer simulation anchoring as applied to the RLL system is discussed with results from the corresponding experimental valve tests. Important factors for waterhammer mitigation are discussed along with potential design impacts to the RLL propulsion system.

Stein, William B.↗
DOE OSTI2022

Late Paleozoic Evolution of the Anadarko Basin: Implications for Laurentian Tectonics and the Assembly of Pangea

Abstract Interplay between marginal and intraplate late Paleozoic tectonics in southeastern Laurentia is a subject of debate. In southern Laurentia, intraplate deformation has been attributed to combinations of compressive forces from orogenic belts in the west, southwest, and southeast. While left‐lateral transpression is generally an accepted mechanism for formation of uplifts in the Southern Oklahoma Aulacogen (SOA), to date no studies have explained the driving mechanisms of these kinematics. Here, we analyze the Southern Oklahoma Transpressional System (SOTS), a ∼500 km long ∼50 km wide fault zone that extends from the southeastern Laurentian margin into the plate interior along Cambrian lithospheric weaknesses inherited from the SOA. We use a compilation of published studies to present detailed, time‐integrated sedimentary thickness maps of SOTS‐related basins. We combine these maps with a new interpretation of three 2D seismic reflection lines to constrain timing and kinematics of all major late Paleozoic SOTS fault zones. We show that the SOTS kinematics evolved from contraction to left‐lateral strike‐slip during Mississippian‐Pennsylvanian time. Tectonic activity and fault kinematics in the SOTS are explained by a model in which a remnant ocean basin closed diachronously from northeast to southwest along the Southern Appalachian and Ouachita‐Marathon orogens. Left‐lateral transpression during diachronous closure of the Rheic oceanic basin along the Ouachita‐Marathon margin is related to rotation of the stress field due to changes in slab‐pull and eastward drift of Laurentia toward Gondwana. We speculate that the SOTS acted in part as a STEP (subduction‐transfer edge propagator) fault that followed the pre‐existing SOA.

Hobbs, Noah. F.↗
DOE OSTI2024

Numerical Mixing Suppresses Submesoscale Baroclinic Instabilities Over Sloping Bathymetry

Abstract The impacts of spurious numerical salinity mixing on the larger‐scale flow and tracer fields are characterized using idealized simulations. The idealized model is motivated by realistic simulations of the Texas‐Louisiana shelf and features oscillatory near‐inertial wind forcing. can exceed the physical mixing from the turbulence closure in frontal zones and within the mixed layer. This suggests that simulated mixing processes in frontal zones are driven largely by . Near‐inertial alongshore wind stress amplitude is varied to identify a base case that maximizes the ratio of to in simulations with no prescribed horizontal mixing. We then test the sensitivity of the base case with three tracer advection schemes (MPDATA, U3HC4, and HSIMT) and conduct ensemble runs with perturbed bathymetry. Instability growth is evaluated using the volume‐integrated eddy kinetic energy and available potential energy . While all schemes have similar total mixing, the HSIMT simulations have over double the volume‐integrated and 20% less relative to other schemes, which suppresses the release of and reduces the by roughly 25%. This results in reduced isohaline variability and steeper isopycnals, evidence that enhanced suppresses instability growth. Differences in and between the MPDATA and U3HC4 simulations are marginal. However, the U3HC4 simulations have 25% more . Experiments with variable horizontal viscosity and diffusivity coefficients show that small amounts of prescribed horizontal mixing improve the representation of the ocean state for all advection schemes by reducing the and increasing the .

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Geologic stress modulates fluid mixing at fracture intersections

Fracture intersections are critical links that enable flow and transport in subsurface fracture networks, and their behavior strongly influences fluid mixing in a network. Although all subsurface fractures are subjected to geological stress, we lack a fundamental understanding of how fracture intersection geometry evolves under stress and how these changes influence fluid mixing. Here, we combine 3D printing, 3D X-ray tomographic imaging, and 3D pore-scale numerical simulations to reveal stress-induced changes in intersection geometry and their impact on mixing. Mixing is found to be strongly affected by partial closure of an intersection under stress. As an intersection closes, the void area for fluid flow and diffusion decreases leading to substantial deviations between conventional mixing models and full pore-scale modeling. To address this, we propose a modified mixing model that accounts for intersection deformation, which is essential for accurate modeling of solute transport and mixing through fracture networks.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

FAR3d

The FAR3d model calculates the linear and nonlinear stability properties of energetic particle driven Alfven instabilities for both tokamak and stellarator plasma confinement devices using gyro-landau closure methods. This is an important fundamental physics problem for existing fusion energy experiments and for future fusion reactors.

Varela, Jacobo↗
DOE OSTI2023

Synopsis of SURF and SURFplus

Developed by Menikoff and Shaw, the SURF reactive burn model builds on the Ignition and Growth concept by incorporating the lead shock pressure directly into the volumetric hot-spot burn rate. The plus-extension augments the model with a late time surface burn rate due to carbon clustering. Together, SURF and SURFplus allow for robust modeling of both conventional and insensitive high explosives. Practically, the SURF burn models require shock detection and the advection of the lead shock pressure as an additional material field. Calibrated parameters for given equations of state and thermodynamic closure are dependent on initial temperature and density. An implementation in Python is given.

42 ENGINEERING↗
DOE OSTI2023

Engineering-Scale Integrated Energy System Data Projection Demonstration via the Dynamic Energy Transport and Integration Laboratory

The objective of this study is to demonstrate and validate the Dynamic Energy Transport and Integration Laboratory (DETAIL) preliminary scaling analysis using Modelica language system-code Dymola. The DETAIL preliminary scaling analysis includes a multisystem integral scaling package between thermal-storage and hydrogen-electrolysis systems. To construct the system of scaled equations, dynamical system scaling (DSS) was applied to all governing laws and closure relations associated with the selected integral system. The existing Dymola thermal-energy distribution system (TEDS) facility and high-temperature steam electrolysis (HTSE) facility models in the Idaho National Laboratory HYBRID repository were used to simulate a test case and a corresponding scaled case for integrated system HYBRID demonstration and validation. The DSS projected data based on the test-case simulations and determined scaling ratios were generated and compared with scaled case simulations. The preliminary scaling analysis performance was evaluated, and scaling distortions were investigated based on data magnitude, sequence, and similarity. The results indicated a necessity to change the normalization method for thermal storage generating optimal operating conditions of 261 kW power and mass flow rate of 6.42 kg/s and the possibility of reselecting governing laws for hydrogen electrolysis to improve scaling predictive properties. To enhance system-scaling similarity for TEDS and HTSE, the requirement for scaling validation via physical-facility demonstration was identified.

08 HYDROGEN↗