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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

NEWTS Coal Mine Drainage Dataset from Cravotta Brady (2015)

Data from Cravotta, Brady, "Priority pollutants and associated constituents in untreated and treated discharges from coal mining or processing facilities in Pennsylvania, USA". Applied Geochemistry, 2015. https://doi.org/10.1016/j.apgeochem.2015.03.001 Dataset includes information on water quality composition including inorganic compounds from untreated and treated streams of coal-mine discharge from coal mining and coal processing locations. Data is provided in the original version as well as in a summarized version for easy input into aqueous chemistry modeling software.

Aqueous Chemistry↗
DOE OSTI2023

NEWTS EPA Gasification Dataset and Case Studies

Data from the US EPA Gasification Database containing gasification effluent data from selected U.S. coal power plants. Original data from: Nguyen, Dan-Tam, Eastern Research Group. Sep 29, 2015. Analytical Database for the Steam Electric Rulemaking - DCN SE05359. https://www.regulations.gov/document/EPA-HQ-OW-2009-0819-5640 Files include: Original data tab, processed data and charge balance information in "NEWTS_EPA_Gasification_Effluent_Dataset_all_tabs.xlsx" Individual .csv files for data in format for input into aqueous chemistry modeling software (OLI Systems and Geochemist's Workbench) Data input templates for modeling streams in OLI Systems and Geochemist's Workbench Case studies for selected solved streams modeled in OLI Systems and Geochemist's Workbench

gasification↗
DOE OSTI2023

NEWTS EPA Ash Dataset

Data from the US EPA Ash Database containing Ash pond effluent data from selected U.S. coal power plants. Original data from: Nguyen, Dan-Tam, Eastern Research Group. Sep 29, 2015. Analytical Database for the Steam Electric Rulemaking - DCN SE05359. https://www.regulations.gov/document/EPA-HQ-OW-2009-0819-5640

Ash Pond↗
DOE OSTI2023

NEWTS EPA Leachate Dataset

Data from the US EPA Leachate Database containing ash landfill leachate data from selected U.S. coal power plants. Original data from: Nguyen, Dan-Tam, Eastern Research Group. Sep 29, 2015. Analytical Database for the Steam Electric Rulemaking - DCN SE05359. https://www.regulations.gov/document/EPA-HQ-OW-2009-0819-5640

Ash Landfill Leachate↗
DOE OSTI2016

IAEA CRP on HTGR Uncertainties in Modeling: Assessment of Phase I Lattice to Core Model Uncertainties

Best-estimate plus uncertainty analysis of reactors is replacing the traditional conservative (stacked uncertainty) method for safety and licensing analysis. To facilitate uncertainty analysis applications, a comprehensive approach and methodology must be developed and applied. High temperature gas cooled reactors (HTGRs) have several features that require techniques not used in light-water reactor analysis (e.g., coated-particle design and large graphite quantities at high temperatures). The International Atomic Energy Agency has therefore launched the Coordinated Research Project on HTGR Uncertainty Analysis in Modeling to study uncertainty propagation in the HTGR analysis chain. The benchmark problem defined for the prismatic design is represented by the General Atomics Modular HTGR 350. The main focus of this report is the compilation and discussion of the results obtained for various permutations of Exercise I 2c and the use of the cross section data in Exercise II 1a of the prismatic benchmark, which is defined as the last and first steps of the lattice and core simulation phases, respectively. The report summarizes the Idaho National Laboratory (INL) best estimate results obtained for Exercise I 2a (fresh single-fuel block), Exercise I 2b (depleted single-fuel block), and Exercise I 2c (super cell) in addition to the first results of an investigation into the cross section generation effects for the super-cell problem. The two dimensional deterministic code known as the New ESC based Weighting Transport (NEWT) included in the Standardized Computer Analyses for Licensing Evaluation (SCALE) 6.1.2 package was used for the cross section evaluation, and the results obtained were compared to the three dimensional stochastic SCALE module KENO VI. The NEWT cross section libraries were generated for several permutations of the current benchmark super-cell geometry and were then provided as input to the Phase II core calculation of the stand alone neutronics Exercise II 1a. The steady state core calculations were simulated with the INL coupled-code system known as the Parallel and Highly Innovative Simulation for INL Code System (PHISICS) and the system thermal-hydraulics code known as the Reactor Excursion and Leak Analysis Program (RELAP) 5 3D using the nuclear data libraries previously generated with NEWT. It was observed that significant differences in terms of multiplication factor and neutron flux exist between the various permutations of the Phase I super-cell lattice calculations. The use of these cross section libraries only leads to minor changes in the Phase II core simulation results for fresh fuel but shows significantly larger discrepancies for spent fuel cores. Furthermore, large incongruities were found between the SCALE NEWT and KENO VI results for the super cells, and while some trends could be identified, a final conclusion on this issue could not yet be reached. This report will be revised in mid 2016 with more detailed analyses of the super-cell problems and their effects on the core models, using the latest version of SCALE (6.2). The super-cell models seem to show substantial improvements in terms of neutron flux as compared to single-block models, particularly at thermal energies.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1996

Development of Gravity-Sensing Organs in Altered Gravity

Experiments are described in which the development of the gravity-sensing organs was studied in newt larvae reared in micro-g on the IML-2 mission and in Aplysia embryos and larvae reared on a centrifuge at 1 to 5 g. In Aplysia embryos, the statolith (single dense mass on which gravity and linear acceleration act) was reduced in size in a graded fashion at increasing g. In early post-metamorphic Aplysia or even in isolated statocysts from such animals, the number of statoconia produced is reduced at high gravity Newt larvae launched before any of the otoconia were formed and reared for 15 days in micro-gravity had nearly adult labyrinths at the end of the IML-2 mission. The otoliths of the saccule and utricle were the same size in flight and ground-reared larvae. However, the system of aragonitic otoconia produced in the endolymphatic sac in amphibians was much larger and developed earlier in the flight-reared larvae. At later developmental stages, the aragonitic otoconia enter and fill the saccule. One flight-reared larva was maintained for nine months post-flight and the size of the saccular otolith, as well as the volume of otoconia within the endolymphatic sac, were considerably larger than in age-matched, ground-reared newts. This suggests that rearing in micro-gravity initiates a process that continues for several months after introduction to 1-g, which greatly increases the volume of otoconia. The flight-reared animal had abnormal posture, pointing its head upward, whereas normal ground-reared newts always keep their head horizontal. This suggests that rearing for even a short period in micro-gravity can have lasting functional consequences in an animal subsequently reared in 1-g conditions on Earth.

Wiederhold, M. L.↗
NASA NTRS1997

Development of gravity-sensing organs in altered gravity

Experiments are described in which the development of the gravity-sensing organs was studied in newt larvae reared in microgravity on the IML-2 mission and in Aplysia embryos and larvae reared on a centrifuge at 1 to 5 g. In Aplysia embryos, the statolith (single dense mass on which gravity and linear acceleration act) was reduced in size in a graded fashion at increasing g. In early post-metamorphic Aplysia or even in isolated statocysts from such animals, the number of statoconia produced is reduced at high g. Newt larvae launched before any of the otoconia were formed and reared for 15 days in microgravity had nearly adult labyrinths at the end of the IML-2 mission. The otoliths of the saccule and utricle were the same size in flight and ground-reared larvae. However, the system of aragonitic otoconia produced in the endolymphatic sac in amphibians was much larger and developed earlier in the flight-reared larvae. At later developmental stages, the aragonitic otoconia enter and fill the saccule. One flight-reared larva was maintained for nine months post-flight and the size of the saccular otolith, as well as the volume of otoconia within the endolymphatic sac, were considerably larger than in age-matched, ground-reared newts. This suggests that rearing in microgravity initiates a process that continues for several months after introduction to 1-g, which greatly increases the volume of otoconia. The flight-reared animal had abnormal posture, pointing its head upward, whereas normal ground-reared newts always keep their head horizontal. This suggests that rearing for even a short period in microgravity can have lasting functional consequences in an animal subsequently reared in 1-g conditions on Earth.

STS-65 Shuttle Project↗
NASA NTRS2006

Spaceflight Effects on Hemopoiesis of Lower Vertebrates Flown on Foton-M2

Intact and operated newts Pleumdeles waltl flown on Foton-M2 for 16 days were used to study the effects of spaceflight as well as tail amputation and lensectomy on their hemopoiesis. The flight did not produce noticeable changes in the peripheral blood of nonoperated newts. However, in operated animals, the number of lymphocytes increased whereas that of neutrophils decreased. There were no morphological differences in hemopoietic organs (liver and spleen) between flown non-operated and operated animals or their controls. However, in both non-operated and operated newts the liver weight and the number of hemopoietic cells in it increased. In contrast to nonoperated newts, space-flown mammals typically showed significant changes in blood cell counts. Experiments with BrdU incorporation revealed labeled cells in the hemopoietic area of the liver as well as in blood and spleen. This observation gives evidence that the BrdU label can be used to study proliferation of hemopoietic cells.

Domaratskaya, E. I.↗
DOE OSTI2019

IAEA Coordinated Research Project on HTGR Physics, Thermal Hydraulics, and Depletion Uncertainty Analysis: PHISICS/RELAP5-3D Results for the Phase III Coupled Core Exercises

This report details the Parallel and Highly Innovative Simulation for INL Code System (PHISICS)/Reactor Excursions and Leak Analysis Program (RELAP5)-3D results obtained for the neutronics stand-alone core exercises defined for Phase II of the International Atomic Energy Agency (IAEA) Coordinated Research Project (CRP) on high-temperature gas cooled reactor (HTGR) uncertainty analysis in modeling (UAM). The Phase II models and results are linked to the earlier Standardized Computer Analyses for Licensing Evaluation (SCALE)/Sampler/New ESC-based Weighting Transport (NEWT) data generated for the lattice physics (lattice) stage Phase I of the CRP. The focus of this report is the propagation of cross-section uncertainties from the lattice to the core calculation (core) phase of the prismatic 350 megawatt (MW) General Atomics (GA) Modular HTGR (MHTGR). The Phase II neutronics exercises consist of two sub-cases (II-2a and II-2b) specified for the fresh and mixed core loading of the MHTGR-350 prismatic high-temperature reactor design. Exercises II-2a and II-2b are performed without temperature feedback using isothermal temperature profiles. For the nominal lattice physics (i.e., best-estimate) model, a series of fresh and depleted single block and super cell SCALE/KENO and SCALE/NEWT models were developed at Idaho National Laboratory (INL) to assess the impact of spectral effects on the few-group cross sections. A combination of these lattice cells were used in a super cell calculation to construct 8-group cross-section libraries for use in the INL-developed PHISICS/RELAP5-3D code suite. The block-level homogenized libraries were assigned to the 220 fuel zones utilized in the MHTGR-350 PHISICS core model, according to the fresh and mixed fresh/depleted core loading pattern. In order to evaluate the effect of uncertainty propagation, several sets consisting of 1,000 perturbed NEWT lattice and PHISICS/RELAP5-3D core calculations were performed using the SCALE 6.2 ENDF/B-VII.1 cross-section co-variance data and the stochastic sampling module Sampler in SCALE 6.2.0. The Figures of Merit (FOM) investigated include the mean and standard deviation uncertainty values obtained for the eigenvalues, control rod worth values, block-averaged power profiles, power axial offsets, and isothermal temperature feedback coefficients. A sensitivity study on the main nuclide reaction contributors to the FOM uncertainties has not yet been performed since the SCALE/PHISICS/RAVEN coupling with ENDF/B-VII co-variance data is still being developed. It was found that uncertainties in the cross sections lead to uncertainties in the local power values of up to 1.5%. The variances between the fresh and mixed/depleted core models are not as large as the axial variations between the top and bottom within each core model. The core eigenvalue uncertainty is approximately 0.5%, which is significant in comparison to typical eigenvalue difference targets (less than ~0.1% for LWRs). The power peaking and axial offset uncertainties are smaller (0.10% – 0.15%) and probably below the level of significance in typical core design metrics. The use of an 8-group energy structure slightly under-estimates some of the uncertainties, but in absolute terms, the uncertainty results are reasonably close to the 26-group results. The 26- and 8-group mean and nominal results differ by a larger degree, and if it can be afforded in terms of calculation resources, the 26-group structure should be used for HTGR calculations. The 8-group structure can, however, still be useful for reasonably accurate uncertainty assessments of transient cases where computational time is important. It was furthermore found that the use of a super cell during the cross-section generation process for better representation of the spectral environment at the core periphery did not lead to significant changes in the core eigenvalues, axial offset, and power peaking uncertainties. The impact of the super cell cross sections on the nominal and mean eigenvalues is, however, important enough (0.6% – 1.1% lower) to justify the use of these super cells for HTGR core simulation to represent the softer spectral environment in the core peripheral regions for nominal best-estimate calculations. The use of super cells for HTGR uncertainty studies is, therefore, not strictly necessary, but the improvements in nominal results could justify their use.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2006

Experiment "Regeneration" Performed Aboard the Russian Spacecraft Foton-M2 in 2005

The experiments on the newts performed earlier aboard Russian biosate llites showed that the rate of lens and tail regeneration in space wa s greater than on the ground. In parallel it was found that the numbe r of cells in S-phase was greater in space-flown animals than in the ground controls. However, it was unclear whether cell proliferation stimulation was induced by micro-g per se. Molecular mechanisms under lying the change also remained obscure. These issues were addressed b y the joint Russian-American experiment "Regeneration" flown on Foton -M2 in 2005. The method for in-flight delivering DNA precursor BrdU was developed. The experiment showed that during the flight the numbe r of S-phase cells in the regenerating eyes and tails increased. Thes e data together with those obtained earlier suggest that cell prolife ration increases in response to the effects of both micro-g and 1-g a fter return to Earth. The expression of bFGF in regenerating tissues of "flown" newts and ground controls was examined using immuno-histo chemistry. Obtained results suggest that this growth factor is a part icipant of the promotional effect of space flight upon cell prolifera tion in lens and tail regenerates.

Grigoryan, Elonora↗
DOE OSTI2023

Explainability and extrapolation of machine learning models for predicting the glass transition temperature of polymers

Abstract Machine learning (ML) offers promising tools to develop surrogate models for polymers' structure–property relations. Surrogate models can be built upon existing polymer data and are useful for rapidly predicting the properties of unknown polymers. The accuracy of such ML models appears to depend on the feature space representation of polymers, the range of training data, and learning algorithms. Here, we establish connections between these factors for predicting the glass transition temperature (T g ) of polymers. Our analysis suggests linear models with fewer fitting parameters are as accurate as nonlinear models with many hidden and unexplainable parameters. Also, the performance of a monomer topology‐based ML model is found to be qualitatively identical to that of a physicochemical descriptor‐based ML model. We find that the ML models's performance in the extrapolative region is enhanced as the property range of the training data increases. Moreover, we establish newT g – polymer chemistry correlations via ML. Our work illustrates how ML can advance the fundamental understanding of polymer structure–property correlations and its efficacy for extrapolation problems.

Polymer Science↗
DOE OSTI2020

Nuclear data uncertainty propagation and modeling uncertainty impact evaluation in neutronics core simulation

Uncertainty analysis is a critical requirement in reactor simulation as it is used to quantify the reliability of best-estimate calculation. A comprehensive uncertainty analysis should characterize all sources of uncertainties in a computationally-feasible and scientifically-defendable manner. Here we employ a well-established reduced order modeling (ROM) based uncertainty quantification methodology to propagate uncertainties throughout neutronic calculations. ROM relies on recent advances in randomized data mining techniques applied to large data streams. In our proposed implementation, the nuclear data uncertainties are first propagated from multi-group level through lattice physics calculation to generate few-group parameter uncertainties, described using a vector of mean values and a covariance matrix. Employing an ROM-based compression of the covariance matrix, the few-group uncertainties are then propagated through downstream core simulation in a computationally efficient manner. This straightforward approach, albeit efficient as compared to brute force forward and/or adjoint-based methods, often employs a number of assumptions that have been unquestioned in the literature of neutronic uncertainty analysis. This manuscript argues that these assumptions could introduce another source of uncertainty referred to as modeling uncertainties, whose magnitude needs to be quantified in tandem with nuclear data uncertainties. Thus, our primary goal is to explore the interactions between these two uncertainty sources in order to assess whether modeling uncertainties have an impact on parameter uncertainties. To explore this endeavor, the impact of a number of modeling assumptions on core attributes uncertainties is quantified. The study employs a CANDU reactor model, with Serpent and NEWT as lattice physics solvers and NESTLE-C as core simulator. The modeling assumptions investigated include those related with the uncertainty propagation method employed, e.g., deterministic vs. stochastic, the few-group energy structure employed to represent the cross-sections, the resonance treatment in lattice physics calculation, the reference values for the cross-section, and the number of samples employed to render ROM compression. Results indicate that some of the modeling assumptions could have a non-negligible impact on the core responses propagated uncertainties, highlighting the need for a more comprehensive approach to combine parameter and modeling uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Sensitivity Calculations for Systems with Polyethylene Reflector Materials Using CLUTCH

The SCALE 6.2.4 code package contains four sequences for calculating $k_{eff}$ sensitivity coefficients. Two of these sequences use deterministic transport solvers: a one-dimensional (1D) capability based on XSDRN, and a two-dimensional (2D) capability based on NEWT. These sequences are restricted to the multigroup (MG) treatment of neutron energy. The three-dimensional (3D) sequences use the KENO V.a or KENO-VI Monte Carlo transport codes and can be used to calculate sensitivity coefficients with either MG or continuous-energy (CE) transport. The 3D sensitivities are ultimately reported in an MG structure, regardless of the method used in the transport calculations. If desired, the sensitivity coefficients can be reported with very fine energy resolution from a CE calculation, but they are calculated only in the MG library structure in the MG mode. CE TSUNAMI methods are available in SCALE starting in SCALE version 6.2. Sensitivity coefficients were generated using the 3D sequences as part of the generation of the SCALE 6.2.2 Validation Report; difficulties encountered when using the CLUTCH method for thick, fissionable-material reflectors were discussed and investigated as documented in a previous paper. This paper discusses the difficulties encountered in generating accurate sensitivity coefficients using the CLUTCH technique for polyethylene reflectors for two fast spectrum benchmarks. Direct perturbation (DP) calculations were performed to confirm the accuracy of the total sensitivity coefficient for important isotopes with large sensitivities in the system. Discrepancies were detected for CLUTCH-calculated sensitivity coefficients in the reflector of a critical experiment with a radial polyethylene reflector. A simple polyethylene-reflected plutonium sphere was then used to further investigate the discrepancy. Calculations performed using the iterated fission probability (IFP) method generated accurate sensitivity coefficients in both cases. The results of this study emphasize the need to confirm CLUTCH sensitivity results with DP calculations. IFP calculations are generally less efficient but more reliable than CLUTCH calculations. Improvements to the CLUTCH methodology that retain the greater efficiency but address identified difficulties are therefore potentially useful to analysts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Constituent Data Replacement Tool

The purpose of this tool is to estimate key parameters that may be missing in public wastewater composition datasets. The tool can be applied to develop complete treatment and critical mineral extraction profiles for leachate, produced water and other aqueous waste streams. The tool applies machine learning algorithms to replace missing data in a user’s water data set that are adjusted based on user preferences for options including algorithm type, number of features, and classification variables. The tool can use the user’s data alone or combine user data with the NEWTS USGS Produced Water Database for more robust training. This research was funded by the U.S. Department of Energy’s Office Fossil Energy and Carbon Management (FECM) through National Energy Technology Laboratory’s ongoing research under the Water Management for Power System Field Work Proposal, DE-FECM 1022428 and Critical Minerals Field Work Proposal, DE-FECM 1022420.

Aqueous Chemistry↗
DOE OSTI2024

Pennsylvania Department of Environmental Protection (PA DEP) 26r Detailed Produced Water Compositions (version 1.0)

A database of geochemical compositions of aqueous species in produced water reported to the PA DEP. Samples were collected between mid-2012 to early-2020. Data from publicly-available PA DEP 26r reports were scraped from pdf files and cumulated into tabular spreadsheet format for >1000 produced water streams from Marcellus wells in Pennsylvania. In addition to providing the original values, the NETL NEWTS team has reformatted the dataset to allow sample streams to be easily copied into OLI Studio and Geochemist WorkBench (GWB) software for modeling the geochemistry and the recovery of critical minerals, such as lithium, from these produced water streams. In addition, a version of the dataset has been included with predictions for some missing values in the original dataset using machine learning techniques within CoDaRT software, a public ML software developed by the Nation Energy Technology Laboratory. We have made the Input into CoDaRT and one example output from CoDaRT available in this dataset.

Aqueous Chemistry↗
DOE OSTI2025

Pennsylvania Department of Environmental Protection (PA DEP) 26r Detailed Produced Water Compositions (version 2.0)

A database of geochemical compositions of aqueous species in produced water reported to the PA Department of Environmental Protection (PA DEP). Samples were collected between late-2010 to late-2024. Data from publicly available PA DEP 26r reports were scraped from pdf files and cumulated into tabular spreadsheet format for >3,000 produced water streams from Marcellus Shale wells in Pennsylvania. In addition to providing the original values, the NETL NEWTS team has reformatted the dataset to allow sample streams to be easily copied into OLI Studio and Geochemist WorkBench (GWB) software for modeling the geochemistry and the recovery of critical minerals, such as lithium, from these produced water streams. ***This dataset is an updated version of the PA DEP 26r Detailed Produced Water Compositions (version 1.0) dataset, providing expanded spatial and temporal coverage.***

Aqueous Chemistry↗
DOE OSTI2024

Estimating Lithium Fluxes from Produced Water: Marcellus Shale and Beyond

This talk summarizes the potential for critical minerals extraction from produced water and the current data constraints on making these evaluations. First, we present results from production simulations carried out using data from the Marcellus shale showing the lithium resource potential from this formation. Second, we broaden our estimations to show the critical mineral resource estimates from U.S. domestic shale operations. Lastly, we conclude with an overview of the NEWTS database and dashboard where we host the data used in our assessments.

Mackey, Justin↗
DOE OSTI2026

Innovations Driven by Advanced Characterization to Strategize Critical Mineral Production and Beneficial Reuse from Fossil Energy Waste

Critical minerals (CM), such as rare earth elements (REE), cobalt, nickel, and lithium, have important uses in modern electronics and advanced manufacturing, yet are vulnerable to potential supply chain disruptions. Relatively abundant and readily available fossil energy (FE) wastes, such as coal combustion ash, acid mine drainage (AMD) and treatment solids (AMD solids), and Oil and Gas (O&G) drilling wastes (drill cuttings and produced waters) are under consideration as CM feedstocks. The National Energy Technology Laboratory (NETL) has studied CM resources for various FE wastes as part of the U.S. Department of Energy’s mission of bolstering the domestic CM supply, and makes the data available to the public on EDX at sites such as the NEWTS group. Advanced characterization utilizing synchrotron x-ray techniques coupled with laboratory extractions has been performed to identify CM hosting phases in these FE wastes to inform CM recoverability mechanisms. Novel methods to selectively recover CMs while co-producing other valuable byproducts have been developed. Successful examples discussed here include: (1) The identification of REE/Co/Ni/Sc binding and hosting phases in select FE waste (coal combustion ash and AMD solids), resulting in the development of a patented CM step-extraction process, (2) coupled production of functional sorbents from these extraction wastes and for CM recovery. A pilot-scale testing to evaluate the patent’s technical feasibility for extracting REE from coal ash on a barrel scale has been successfully performed. Additionally, (3) evaluation and measurements of brine geochemistry from U.S. O&G produced waters has informed a high Li recovery potential from Marcellus Shale produced water. NETL researchers have been developing tailored pre-treatment processes, an innovative and highly durable lithium sorbent, and geochemical model guided precipitation to accelerate Li production from the Marcellus Shale produced waters. These innovations driven by characterization are integral for maximizing and advancing the potential for CM recovery while offsetting the cost and environmental footprint for FE waste management.

critical mineral processing↗