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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Insight of BaCe 0.5 Fe 0.5 O 3– δ twin perovskite oxide composite for solid oxide electrochemical cells

One-pot synthesized twin perovskite oxide composite of BaCe 0.5 Fe 0.5 O 3–δ (BCF), comprising cubic and orthorhombic perovskite phases, shows triple-conducting properties for promising solid oxide electrochemical cells. Phase composition evolution of BCF under various conditions was systematically investigated, revealing that the cubic perovskite phase could be fully/partially reduced into the orthorhombic phase under certain conditions. The reduction happened between the two phases at the interface, leading to the microstructure change. As a result, the corresponding apparent conducting properties also changed due to the difference between predominant conduction properties for each phase. Based on the revealed phase composition, microstructure, and electrochemical properties changes, a deep understanding of BCF's application in different conditions (oxidizing atmospheres, reducing/oxidizing gradients, cathodic conditions, and anodic conditions) was achieved. Triple-conducting property (H + /O 2– /e – ), fast open-circuit voltage response (~16–~470 mV) for gradients change, and improved single-cell performance (~31% lower polarization resistance at 600°C) were comprehensively demonstrated. Besides, the performance was analyzed under anodic conditions, which showed that the microstructure and phase change significantly affected the anodic behavior.

08 HYDROGEN↗
DOE OSTI2016

TH-CD-201-03: A Real-Time Method to Simultaneously Measure Linear Energy Transfer and Dose for Proton Therapy Using Organic Scintillators

Purpose: The light generated in organic scintillators depends on both the radiation dose and the linear energy transfer (LET). The LET dependence leads to an under-response of the detector in the Bragg peak of proton beams. This phenomenon, called ionization quenching, must be corrected to obtain accurate dose measurements of proton beams. This work exploits the ionization quenching phenomenon to provide a method of measuring LET and auto correcting quenching. Methods: We exposed simultaneously four different organic scintillators (BCF-12, PMMA, PVT, and LSD; 1mm in diameter) and a plane parallel ionization chamber in passively scattered proton beams to doses between 32 and 43 cGy and fluence averaged LET values from 0.47 to 1.26 keV/µm. The LET values for each irradiation condition were determined using a validated Monte Carlo model of the beam line. We determined the quenching parameter in the Birk’s equation for scintillation in BCF-12 for dose measurements. One set of irradiation conditions was used to correlate the scintillation response ratio to the LET values and plot a scintillation response ratio versus LET calibration curve. Irradiation conditions independent from the calibration ones were used to validate this method. Comparisons to the expected values were made on both the basis of dose and LET. Results: Among all the scintillators investigated, the ratio of PMMA to BCF-12 provided the best correlation to LET values and was used as the LET calibration curve. The expected LET values in the validation set were within 2%±6%, which resulted in dose accuracy of 1.5%±5.8% for the range of LET values investigated in this work. Conclusion: We have demonstrated the feasibility of using the ratio between the light output of two organic scintillators to simultaneously measure LET and dose of therapeutic proton beams. Further studies are needed to verify the response in higher LET values.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Validation and Verification of Python based Neutron Spectrum Unfolding Software

To validate and verify the python-based code (PySL), designed to replicate the programs used by STAYSL for Beam Correction Factor (BCF) and Self-Shielding Factor (SHIELD), a series of tests were performed. To test BCF a python script was written to generate a random flux history file and both versions of the code processed the data. The test verified matching values up to at least one decimal place, approximately 10,000 tests where run and each one passed. Isotopes began to fail the tests once neutron saturation was reached. To verify this the total time of exposure was varied the isotopes that failed were compared to a list of their half-lives. The test process for SHIELD was very similar but, in this case, the code began by producing an input file with varying thickness and device type/environment for the SHIELD input. The failure condition for this test was if any of the data points for an isotope had a difference above 3%. Approximately 40 of these tests were run and there were only 3 isotopes that had reoccurring failures but only 2% of their points were above the 3% difference. A visual comparison was conducted by plotting the results from both programs. Although the test failed, the differences between their values were minuscule, and the self-shielding factor’s shape was preserved when plotted. Next steps for this project will be validating and verifying the python-based SigPhi code and then reproducing and testing the least squares unfolding performed by STAYSL.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Lewis Acid‐Activated Charge Trapping in Dielectric Polymers for Superior High‐Temperature Electrostatic Energy Storage

Dielectric polymer capacitors are essential for electrostatic energy storage but suffer from charge transport-induced energy losses, particularly at elevated temperatures where thermally activated charge carriers exacerbate conduction. Conventional mitigation strategies rely on introducing heterogeneous interfaces to create charge traps, complicating scalable film fabrication. A homogeneous molecular trapping mechanism would circumvent these complexities, yet remains underexplored. Herein, a charge trapping strategy is devised by modifying the lowest occupied molecular orbitals of dielectric polymers through Lewis acid-base adduct formation. The use of tris(pentafluorophenyl)boron (BCF) as a Lewis acidic molecular additive introduces deeper charge traps in commercial polyetherimide (PEI) while retaining homogeneity. With only 0.5 wt.% loading, the PEI-BCF film exhibits greatly improved breakdown strength, achieving an ultrahigh discharged energy density of 7.3 J cm-3 with excellent cycle stability at 200 °C. This work establishes a facile molecular approach to decoupling charge trapping from heterogeneous interfaces, enabling high-energy-density polymer capacitors operable under extreme thermal conditions.

Fan, Lu↗
DOE OSTI2019

Modification of rGO by B(C6F5)3 to generated single-site Lewis Acid rGO-O-B(C6F5)2 as coactivator of nickel complex, to produce highly disperse rGO-PE nanocomposite

We investigated the incorporation of reduced graphene oxide (rGO) into branched polyethylene, achieving nanocomposites with different rGO contents. The strategy included the direct reaction between B(C6F5)(3) (BCF) with rGO (reduced graphene oxide) and demonstrated by XPS, B-11, F-1(9) -MAS NMR, FT-IR the efficient modification of the rGO. The resulting solid contains sites -O-B(C6F5)(2 )capable of acting as co-catalysts in the activation of an (alpha-iminocarboxamidate)nickel (II) complex. The results show the efficient activation of this nickel catalyst through an exocyclic Lewis acid-base interaction and the subsequent ethylene polymerization. We achieved with this heterogeneous catalytic system activity greater than those previously reported for the BCF-Ni, homogenous system, while the characterization of the black colored polymer generated in situ, showed a complete delamination of the rGO. It became the first rGO-B(C6F5)(2) -Ni system fully characterized and capable of delaminate the rGO support by producing a nanocomposite rGO-LLDPE without loss of activity, compared to the homogeneous system. In addition, the polymer contains about 70% of methyl branches and a melting point higher than 125 degrees C.

In situ activation↗
DOE OSTI2016

Biosolids inhibit bioavailability and plant uptake of triclosan and triclocarban

Biosolids from wastewater treatment are primarily disposed of via land applications, where numerous pharmaceuticals and personal care products (PPCPs) may contaminate food crops and pose a human exposure risk. Biosolids are rich in organic carbon and addition of biosolids can increase the sorption of certain PPCPs in soil, decreasing their bioavailability. This work tested the hypothesis that the relative plant uptake of PPCPs decreases with increasing biosolids amendment. Accumulation of triclosan and triclocarban was measured in roots of radish and carrot grown in soils with or without biosolids. Addition of biosolids significantly prolonged the persistence of triclosan in soil. When expressed in bioaccumulation factor (BCF), accumulation of triclosan drastically decreased in biosolids-amended soils, while the effect was limited for triclocarban. Compared to the unamended soil, amending biosolids at 2% (w/w) decreased BCF of triclosan in the edible tissues of radish and carrot by 85.4 and 89.3%, respectively. Measurement using a thin-film passive sampler provided direct evidence showing that the availability of triclosan greatly decreased in biosolids-amended soils. Partial correlation analysis using data from this and published studies validated that biosolids decreased plant uptake primarily by increasing soil organic carbon content and subsequently sorption. Therefore, contamination of food crops by biosolids-borne contaminants does not linearly depend on biosolids use rates. This finding bears significant implications in the overall risk evaluation of biosolids-borne contaminants.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Simulation of dilute polymeric fluids in a three-dimensional contraction using a multiscale FENE model

The multiscale FENE model is applied to a 3D square-square contraction flow problem. For this purpose, the stochastic Brownian configuration field method (BCF) has been coupled with our fully parallelized three-dimensional Navier-Stokes solver NaSt3DGPF. The robustness of the BCF method enables the numerical simulation of high Deborah number flows for which most macroscopic methods suffer from stability issues. The results of our simulations are compared with that of experimental measurements from literature and show a very good agreement. In particular, flow phenomena such as a strong vortex enhancement, streamline divergence and a flow inversion for highly elastic flows are reproduced. Due to their computational complexity, our simulations require massively parallel computations. Using a domain decomposition approach with MPI, the implementation achieves excellent scale-up results for up to 128 processors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Analytic representations of bath correlation functions for ohmic and superohmic spectral densities using simple poles

We present a scheme to express a bath correlation function (BCF) corresponding to a given spectral density (SD) as a sum of damped harmonic oscillations. Such a representation is needed, for example, in many open quantum system approaches. To this end we introduce a class of fit functions that enables us to model ohmic as well as superohmic behavior. We show that these functions allow for an analytic calculation of the BCF using pole expansions of the temperature dependent hyperbolic cotangent. We demonstrate how to use these functions to fit spectral densities exemplarily for cases encountered in the description of photosynthetic light harvesting complexes. Finally, we compare absorption spectra obtained for different fits with exact spectra and show that it is crucial to take properly into account the behavior at small frequencies when fitting a given SD.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Prospects for rapid deceleration of small molecules by optical bichromatic forces

We examine the prospects for utilizing the optical bichromatic force (BCF) to greatly enhance laser deceleration and cooling for near-cycling transitions in small molecules. We discuss the expected behavior of the BCF in near-cycling transitions with internal degeneracies, then consider the specific example of decelerating a beam of calcium monofluoride molecules. We have selected CaF as a prototype molecule both because it has an easily accessible near-cycling transition and because it is well suited to studies of ultracold molecular physics and chemistry. We also report experimental verification of one of the key requirements, the production of large bichromatic forces in a multilevel system with significant energy level splittings, by performing tests in an atomic beam of metastable helium.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

STAYSL PNNL Suite

The STAYSL PNNL Suite of software provides a set of tools for working with neutron activation rates measured in a nuclear fission reactor, an accelerator-based neutron source, or any neutron field to determine the neutron flux spectrum through a generalized least-squares approach. This process is referred to as neutron spectral adjustment since the preferred approach is to use measured data to adjust neutron spectra provided by neutron physics calculations. The input data consist of the reaction rates based on measured activities, an initial estimate of the neutron flux spectrum, neutron activation cross sections and their associated uncertainties (covariances), and relevant correction factors. The output consists of the adjusted neutron flux spectrum and associated covariance matrix, which is useful for neutron dosimetry and radiation damage calculations. The software suite consists of the STAYSL PNNL, SHIELD, BCF, and NJpp Fortran codes and the SigPhi Calculator spreadsheet tool. In addition, the development of this software suite and associated data libraries used the third-party NJOY99 Fortran code (http://t2.lanl.gov/nis/codes/njoy99/). The NJOY99 and NJpp codes are used to assemble cross section and covariance input data libraries (for both SHIELD and STAYSL PNNL) from the International Reactor Dosimetry File of 2002 (IRDF-2002; http://www-nds.iaea.org/irdf2002/) developed by the Nuclear Data Section of the International Atomic Energy Agency (Vienna, Austria). The BCF, SigPhi Calculator, and SHIELD software tools are used to calculate corrected activation rates and neutron self-shielding correction factors, which are inputs to the STAYSL PNNL code.

Greenwood, L.R.↗
DOE OSTI2018

Statistical relationship between metabolic decomposition and chemical uptake predicts bioconcentration factor data for diverse chemical exposures

Background: A challenge of in vitro to in vivo extrapolation (IVIVE) is to predict the physical state of organisms exposed to chemicals in the environment from in vitro exposure assay data. Although toxicokinetic modeling approaches promise to bridge in vitro screening data with i Danio rerio ) based upon particle swarm optimizations (PSO) of the chemical uptake and degradation rates that predict bioconcentration factors (BCF) for a broad range of chemicals. PSO reveals a relationship between chemical uptake and decomposition parameter values that predicts chemical-specific BCF values with moderate statistical agreement to a limited yet diverse chemical dataset, and all without a need to retrain the model to new data. Conclusions: The presented model requires only the octanol-water partitioning ratio to predict BCFs to a fidelity consistent with existing QSAR models. This success begs re-evaluation of the modeling assumptions; specifically, it suggests that chemical uptake into arterial blood may be limited by transport across gill membranes (diffusion) rather than by counter-current flow between gill lamellae (convection). Therefore, more detailed molecular modeling of aquatic respiration may further improve predictive accuracy of the rTK approach.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Development of a Bulk-Format System to Harvest, Handle, Store, and Deliver High-Tonnage Low-Moisture Switchgrass Feedstock

This project evaluates and compares comprehensive feedstock logistics systems (FLS), where a FLS is defined to comprehensively span from biomass material standing in a field to conveyance of a uniform, industrial-milled product into the throat of a biomass conversion facility (BCF). Elements of the bulk-format FLS evaluated in this project include: field-standing switchgrass dry chopped into bulk format on the farm, hauled (either loose or bulk compacted) to storage, stored with confining overburden in a protective facility, reclaimed and conveyed to bulk-format discharge, bulk compacted into an ejector trailer, and conveyed as bulk flow into the BCF. In this FLS evaluation, bulk storage bins served as a controlled and sensored proxy for large commercial stacks protected from moisture with a membrane cover.

09 BIOMASS FUELS↗
DOE OSTI2021

Industry Partnerships & Their Role In Reducing Natural Gas Supply Chain Greenhouse Gas Emissions – Phase 2

This analysis is the product of collaboration between Our Nation’s Energy Future (ONE Future) and the United States (U.S.) Department of Energy (DOE) National Energy Technology Laboratory (NETL). This analysis is an update to Phase 1 of the collaboration between ONE Future and NETL. Phase 1 had three objectives: 1. Calculate a greenhouse gas (GHG) emission profile representative of ONE Future’s supply chain, including methane (CH 4 ) emission rates. 2. Compare ONE Future’s emission profile to the emission profile for the U.S. natural gas supply chain. 3. Evaluate specific emission reduction opportunities. Phase 2 has two key enhancements over Phase 1: 1. The reporting year of the data is updated from 2016 to 2017. 2. The emission profiles and the specific emission reduction opportunities are regionalized for the ONE Future supply chain. The ONE Future supply chain is based on data provided by ONE Future members for all their U.S. onshore assets. ONE Future’s data are mostly representative of their participation in the Greenhouse Gas Reporting Program (GHGRP) administered by the Environmental Protection Agency (EPA) and is supplemented by ONE Future facilities that are not required to report to GHGRP. The U.S. scenario is based on NETL’s life cycle analysis (LCA) of natural gas extraction and power generation, which also uses data from the GHGRP (but does not include non-GHGRP facilities). In addition to the data from these sources, NETL accounted for uncertainty due to data variability, data limitations, and variability in liquids unloading frequency and event duration. This report is a re-issue of the 2020 study (published on July 28, 2020). It revises the device count in the mitigation strategy “pipeline pump-down before maintenance” in the Marginal Abatement Cost (MAC) Analysis section of the report (Section 7). Please see the addendum for more details on this revision and resultant changes. This revision does not change most of our conclusions and recommendations. It only changes the total methane reduced from all the mitigation opportunities (low cost and high cost) from 6.5 Bcf CH 4 /yr to 4.8 Bcf CH 4 /yr.

03 NATURAL GAS↗
DOE OSTI2025

Design and Construction of a High-Resolution Hodoscope for the GlueX Experiment with High-Statistics Analysis of the p0, ¿, and ¿1 Photoproduction Cross Sections from the RadPhi Experiment

Differential cross sections for forward-angle photoproduction of p0, ¿, and ¿ 1 pseudoscalar mesons were measured using data from the RadPhi experiment conducted in Hall B at Jef ferson Lab. RadPhi utilized a tagged bremsstrahlung photon beam incident on a stationary 9Be target, with a detector system configured to trigger on a recoil proton in coincidence with multiple neutral showers in the calorimeter. Events were reconstructed and subjected to kinematic constraints, with background suppressed via sideband subtraction guided by Monte Carlo modeling of background contributions. Cross sections were extracted over the photon energy range 4.4– 5.4 GeV and binned in invariant momentum transfer t, providing measurements from one of the first high-statistics experiments of forward ¿ and ¿1 pro duction from a nuclear target at these energies. Acceptance corrections were applied using a detailed GEANT-based simulation of the detector geometry and response. The resulting cross sections are consistent with 2020 CLAS results, when scaled by the number of protons in beryllium, and show broad agreement with other data and theoretical models. In parallel, a high-resolution photon tagger detector, the Tagger Microscope (TAGM), was designed, constructed, and commissioned for the GlueX experiment in Hall D at Jefferson Lab. The TAGM was developed to provide high-rate tagging capability in the coherent bremsstrahlung peak by detecting post-bremsstrahlung electrons across a one GeV range along the focal plane of the tagging spectrometer. The detector consists of a 5ˆ102 array of 2ˆ2 mm2 square BCF-20 plastic scintillating fibers thermally fused to BCF-98 light guide fibers optically coupled to silicon photomultipliers. These fibers are mounted in a precision machined framework enabling fine positional adjustments to maintain precise alignment with post-bremsstrahlung electron trajectories, while ensuring mechanical rigidity, thermal stability, optical isolation, minimal inactive area, and radiation shielding for electronics. The construction effort involved extensive testing of fiber quality, light transmission, thermal fusing, radiation hardness, and defect analysis using SEM and EDX techniques. Following its installation and commissioning, the TAGM became a critical component of the GlueX beamline, enabling high-rate tagging essential for studies of hybrid mesons and gluonic ex citations.

McIntyre, James [Univ. of Connecticut, Storrs, CT ↗
DOE OSTI2019

Enhanced Phytoextraction for Co-contaminated Soil with Cd and Pb by Ryegrass (Lolium perenne L.)

A pot experiment was conducted to investigate the effect of three additives – citric acid (CA), polyaspartic acid (PASP), and FeCl{sub 3} – on the phytoextraction efficiency of cadmium (Cd) and lead (Pb) by ryegrass (Lolium perenneL.) from artificially contaminated soils with different heavy metal concentrations. The results showed that as the concentration of pollutants increased, the TI (tolerance index) and BCF (bio-concentration factor) of ryegrass gradually increased only when FeCl{sub 3} was applied. FeCl{sub 3} also exhibited the most significant biomass enhancement and heavy metal accumulation of ryegrass, as well as the highest phytoextraction efficiency in heavily-polluted soils. The overall orders of the optimal phytoextraction efficiency for the three additives in terms of their MER (metal extraction ratio) were: FeCl{sub 3} > PASP > CA. Therefore, FeCl{sub 3} can be used to improve the Cd and Pb phytoextraction efficiency of ryegrass in heavily-polluted soils.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Effects of dissolved cations, dissolved organic carbon, and exposure concentrations on per- and polyfluoroalkyl substances bioaccumulation in freshwater algae

Per- and polyfluoroalkyl substances (PFAS) have attracted global attention because of their persistence, toxicity, bioaccumulation potential, and associated adverse effects. As important primary producers, freshwater algae constitute the base of the food web in freshwater aquatic ecosystems. However, the effects of key environmental factors on PFAS uptake and bioaccumulation in freshwater algae have not been thoroughly studied. In this study, three bioaccumulation experiments were conducted to evaluate the influence of dissolved cations, dissolved organic carbon, and exposure concentrations on PFAS bioaccumulation in algae. Among the 14 studied PFAS, seven long-chain PFAS tended to bioaccumulate in algae. Elevated divalent cations (Ca 2+ and Mg 2+ ) and dissolved organic carbon did not significantly change the algal bioconcentration factors (BCFs) of PFAS, suggesting complexity of the interactions among PFAS, environmental factors, and biotic activities. Additionally, increasing exposure concentrations (0.5, 1, 5, and 10 μg/L of each PFAS) increased PFAS concentrations in algae but decreased the BCF values. This indicated that attention should be paid to the application of BCFs in future studies, including ecological risk assessment. Moreover, fluorotelomer sulfonic acids (FTSs) were incompletely recovered, suggesting that biotransformation occurred. Further studies should be conducted to evaluate whether algae play a role in FTSs biotransformation and to determine the mechanisms. In conclusion, studying the impacts of key environmental factors on PFAS bioaccumulation in algae is crucial for understanding the bioaccumulation processes that occur at the lowest trophic level and that eventually affect the dynamics of entire aquatic ecosystems.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗