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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Fluid flow and heat convection studies for actively cooled airframes

The work done during the progress report period from May-October 1992 is summarized. The effect of wall thermal boundary conditions on flows over a step or rib when repeated rib roughness is used for heating augmentation is examined. In numerical investigations of various such laminar and turbulent flows, the local heat transfer coefficients on a forward-facing step or on a rib were found to be very sensitive to the wall thermal boundary condition. For the computation of constant property laminar flow, the wall thermal boundary conditions were either a uniform heat flux or a uniform temperature. Results (Nusselt number and isotherms) of the studies are included. The second part of the work consisted of using PHOENICS to solve the conjugate heat transfer problem of flow over a rib in channel. Finally, the algebraic stress model in the TEAM (Turbulent Elliptic Algorithm-Manchester) code was tested for jet impingement flow, but there needs to be an addition of the energy equation to the code.

Mills, A. F.↗
DOE OSTI2020

Hybrid Sorbents for 129 I Capture from Contaminated Groundwater

Radioiodine ( 129 I) poses a risk to the environment due to its long half-life, toxicity, and mobility. It is found at the U.S. Department of Energy Hanford Site due to legacy releases of nuclear wastes to the subsurface where 129 I is predominantly present as iodate (IO 3 – ). To date, a cost-effective and scalable cleanup technology for 129 I has not been identified, with hydraulic containment implemented as the remedial approach. Here, novel high-performing sorbents for 129 I remediation with the capacity to reduce 129 I concentrations to or below the US Environmental Protection Agency (EPA) drinking water standard and procedures to deploy them in an ex-situ pump and treat (P&T) system are introduced. Furthermore, this includes implementation of hybridized polyacrylonitrile (PAN) beads for ex-situ remediation of IO 3 – -contaminated groundwater for the first time. Iron (Fe) oxyhydroxide and bismuth (Bi) oxyhydroxide sorbents were deployed on silica substrates or encapsulated in porous PAN beads. In addition, Fe–, cerium (Ce)–, and Bi–oxyhydroxides were encapsulated with anion-exchange resins. The PAN–bismuth oxyhydroxide and PAN–ferrihydrite composites along with Fe- and Ce-based hybrid anion-exchange resins performed well in batch sorption experiments with distribution coefficients for IO 3 – of >1000 mL/g and rapid removal kinetics. Of the tested materials, the Ce-based hybrid anion-exchange resin was the most efficient for removal of IO 3 – from Hanford groundwater in a column system, with 50% breakthrough occurring at 324 pore volumes. The functional amine groups on the parent resin and amount of active sorbent in the resin can be customized to improve the iodine loading capacity. These results highlight the potential for IO 3 – remediation by hybrid sorbents and represent a benchmark for the implementation of commercially available materials to meet EPA standards for cleanup of 129 I in a large-scale P&T system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Noise analysis of optimized Ge/Ge{sub 1−x}Sn{sub x}/Ge p–n–p heterojunction phototransistors for long-wavelength optical receivers

Present literature investigates noise analysis and optimal design for Ge/Ge{sub 1−x}Sn{sub x}/Ge based p–n–p heterojunction phototransistors (HPT) for long-wavelength optical receivers. We calculate gain, noise powers, signal-to-noise ratio, absorption coefficient and optical responsivity of proposed GeSn-based HPT and investigate their dependence on various structural parameters to optimize the design. The proposed HPT incorporates Ge{sub 1−x}Sn{sub x} alloy in the base layer as the active layer, allow to extend the photo detection range from near infrared to mid-infrared to achieve a wide range of detection. The results show that the signal-to-noise ratio (SNR) is strongly dependent on the operating frequency and the introduction of Sn in the base layer can improve the signal-to-noise ratio in the high-frequency region. The calculated results also show that even in the presence of small defects and misfit dislocations at the heterointerfaces, high SNR is still achievable for the proposed structure.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Adaptive Algebraic Derivative Estimation for Battery Electric Buses Energy Consumption Forecasting

The limited service life of onboard batteries for EVs is a challenge, underscoring the need for real-time battery usage prediction. This paper proposes an adaptive Algebraic Derivative Estimation (ADE) approach for forecasting the energy consumption of battery electric buses. By dynamically adjusting the sliding window length, the adaptive ADE retains the fixed-length ADE’s key advantage—namely, operating online without reliance on extensive historical datasets—while substantially bolstering forecast accuracy by actively trading estimation bias off estimation variance. Comparative experiments against both the conventional ADE with a fixed length and a representative machine learning algorithm, XGBoost, were conducted, with performance evaluated via root mean square error, mean absolute error, and the coefficient of determination. The results demonstrate that the proposed approach significantly outperforms baseline methods.

Cui, Tianyang [The University of Texas at Dallas]↗
DOE OSTI2019

Topological and electrical properties of capped and annealed (0001) hydride vapor phase epitaxy GaN films on sapphire

In light of the necessity to anneal GaN to activate implanted dopants, the effects of the annealing temperature and time, the quality of the hydride vapor phase epitaxy grown GaN film, the quality of the annealing cap, and the effects of the stresses generated by the difference in the coefficients of thermal expansion of the film and the substrate are examined topographically using atomic force microscopy, and electrical measurements are made on Schottky diodes fabricated on the annealed samples. Here the results show that thermal decomposition begins at threading edge dislocations that form polygonized small angle grain boundaries during the annealing process; donor defects, probably nitrogen vacancies, are formed near the surface; and the donors are created more quickly when the annealing temperature is higher, the annealing time is longer, and the thermal stresses on the annealing cap are greater. The results suggest that the maximum annealing temperature is ~1300 °C, and at that annealing temperature, the annealing time should not exceed 4 min.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A mixture parameterized biologically based dosimetry model to predict body burdens of polycyclic aromatic hydrocarbons in developmental zebrafish toxicity assays

Polycyclic aromatic hydrocarbons (PAHs) are a group of environmental toxicants found ubiquitously as complex mixtures in human-impacted environments. Developmental zebrafish exposures have been used widely to study PAH toxicity, but most studies report nominal exposure concentrations. Nominal exposure concentrations can be unreliable dose metrics due to differences in toxicant bioavailability resulting from disparate exposure methodologies and chemical properties. Toxicokinetic modeling can predict toxicant tissue doses to facilitate comparison between exposures of different chemicals, methodologies, and biological models. We parameterize a biologically based dosimetry model for developmental zebrafish toxicity assays for 9 PAHs. The model was optimized with measurements from media, tissue, and plastic plate walls throughout a static developmental exposure to a mixture of 10 PAHs of high abundance within the Portland Harbor Superfund Site. Plate binding, volatilization, zebrafish permeability, and tissue—media partitioning coefficients vary widely between PAHs. Model predictions accounted for 83% and 54% of 48 hpf body burdens within a factor of 2 resulting from exposures to mixtures and individual PAHs, respectively. Accounting for solubility significantly improves model performance. Competition for active sites in metabolizing enzymes may change biotransformation kinetics between individual PAH and mixture exposures. Area under the curve estimations of concentrations in zebrafish resulted in altered hazard rankings from nominal exposure concentrations. Future work will be oriented to generalizing the model to other PAHs. This PAH dosimetry model improves the interpretability of developmental zebrafish toxicity assays by providing time-resolved body burdens from nominal exposure concentrations.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2018

Precise measurement of α K and α T for the 39.8-keV E 3 transition in Rh 103 : Test of internal-conversion theory

Neutron-activated sources of 103 Ru and 103 Pd both share the isomeric first-excited state in 103 Rh as a daughter product. From independent measurements of both decays, we have measured the K shell and total internal-conversion coefficients, α K and α T , for the 39.8-keV E3 transition, which de-excites that state in 103 Rh, to be 141.1(23) and 1428(13), respectively. When compared with Dirac-Fock calculations, our new results disagree with the version of the theory that ignores the K-shell atomic vacancy, which is consistent with our conclusion drawn from a series of measurements on high multipolarity transitions in nuclei with higher Z. Calculations that include the atomic vacancy indicate that the transition actually has a small M4 component with mixing ratio δ = 0.023(5).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Density Functional Theory Applied to Transition Metal Elements and binaries: Development Application and Results of the V-DM/16 Test Set

Density functional theory (DFT) is undergoing a shift from a descriptive to a predictive tool in the field of solid state physics, heralded by a spike in “high-throughput” studies. However, methods to rigorously evaluate the validity and accuracy of these studies is lacking, raising serious questions when simulation and experiment disagree. In response, we have developed the V-DM/16 test set, designed to evaluate the experimental accuracy of DFT’s various implementations for pe riodic transition metal solids. Our test set evaluates 26 transition metal elements and 80 transition metal alloys across three physical observables: lattice constants, elastic coefficients, and formation energy of alloys. Whether or not a functional can accurately evaluate the formation energy offers key insights into whether the relevant physics are being captured in a simulation, an especially impor tant question in transition metals where active d-electrons can thwart the accuracy of an otherwise well-performing functional. Our test set captures a wide variety of cases where the unique physics present in transition metal binaries can undermine the effectiveness of “traditional” functionals. By application of the V/DM-16 test set, we aim to better characterize the performance of existing functionals on transition metals, and to offer a new tool to rigorously evaluate the performance of new functionals in the future.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1982

The Seasat altimeter data and its accuracy assessment

A description is given of the Seasat satellite radar altimeter, which was designed to measure (1) the altitude of the satellite above the ocean surface, (2) surface wave height, and (3) the ocean-surface backscatter coefficient from which wind speed may be inferred. The atmospheric and geophysical effects influencing radar altimeter measurement accuracies and the attendant correction models adopted for the altimeter geophysical data record are summarized, along with Seasat Altimeter/Precision Orbit Determination Experiment Team activities directed towards the validation and improvement of these models and investigations assessing the accuracy of both the altimeter measurements and the computed satellite altitude ephemeris.

Tapley, B. D.↗
NASA NTRS1992

Self-diffusion of magnesium in spinel and in equilibrium melts - Constraints on flash heating of silicates

An isotopic tracer is used to measure Mg self-diffusion in spinel and coexisting melt at bulk chemical equilibrium. The diffusion coefficients were calculated from the measured isotope profiles using a model that includes the complementary diffusion of Mg-24, Mg-25, and Mg-26 in both phases with the constraint that the Mg content of each phase is constant. The activation energy and preexponential factor for Mg self-diffusion in spinel are, respectively, 384 +/- 7 kJ and 74.6 +/- 1.1 sq cm/s. These data indicate Mg diffusion in spinel is much slower than previous estimates. The activation energy for Mg self-diffusion in coexisting melt is 343 +/- 25 kJ and the preexponential factor is 7791.9 +/- 1.3 sq cm/s. These results are used to evaluate cooling rates of plagioclase-olivine inclusions (POIs) in the Allende meteorite. Given a maximum melting temperature for POIs of about 1500 C, these results show that a 1-micron radius spinel would equilibrate isotopically with a melt within about 60 min.

Sheng, Y. J.↗
NASA NTRS1994

Interferometric investigations of compressible dynamic stall over a transiently pitching airfoil

The compressible dynamic stall flowfield over a NACA 0012 airfoil transiently pitching from 0 to 60 deg at a constant rate under compressible flow conditions has been studied using real-time interferometry. A quantitative description of the overall flowfield, including the finer details of dynamic stall vortex formation, growth, and the concomitant changes in the airfoil pressure distribution, has been provided by analyzing the interferograms. For Mach numbers above 0.4, small multiple shocks appear near the leading edge and are present through the initial stages of dynamic stall. Dynamic stall was found to occur coincidentally with the bursting of the separation bubble over the airfoil. Compressibility was found to confine the dynamic stall vortical structure closer to the airfoil surface. The measurements show that the peak suction pressure coefficient drops with increasing freestream Mach number, and also it lags the steady flow values at any given angle of attack. As the dynamic stall vortex is shed, an anti-clockwise vortex is induced near the trailing edge, which actively interacts with the post-stall flow.

Chandrasekhara, M. S.↗
NASA NTRSDate not supplied

Satellite-Assisted Particulate Matter (SAPM) for the Models, In situ, and Remote Sensing of Aerosols (MIRA) Working Group

Models, In situ, and Remote sensing of Aerosols (MIRA) is an international working group that provides a forum for collaborations amongst these three atmospheric aerosol communities. MIRA consists of a collection of interdisciplinary and independently funded Topic/Project groups with clear goals and generally characterized by requests for additional scientific data. The Satellite-Assisted Particulate Matter (SAPM) Topic group focuses on the study of fine particulate matter (PM2.5), as it is a major contributor to air pollution and negatively impacts human health. Our group aims to provide intercomparisons of various methods and techniques for estimating surface PM2.5 assisted by satellite remote sensors (passive and active), global aerosol models, and in situ aerosol measurements. The overall motivation of our work is to enhance PM2.5 coverage beyond in situ ground stations, which can be limited. In this presentation, we provide an overview of various PM2.5 estimation approaches by current SAPM team members, as each approach has its own strengths and limitations. One approach uses near-surface aerosol extinction retrievals from the spaceborne Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) and an assumed value of mass extinction efficiency to derive PM2.5 concentrations (Toth et al 2019). A study using this method found a promising agreement (R=0.60; slope=0.89) with U.S. Environmental Protection Agency (EPA) in situ PM2.5 measurements over the contiguous United States (CONUS) for a 12-year (2007-2018) period (Toth et al 2022). In a different approach combining spaceborne lidar and a model, the Cloud Aerosol Transport System (CATS) lidar and Goddard Earth Observing System (GEOS) model are blended in an ensemble variational assimilation scheme to retrieve aerosol extinction and convert speciated mass concentrations to total PM2.5. A recent study (Matus et al in prep.) found agreement within 2 μg/m3 over the CONUS on the 2016 annual mean when compared to EPA ground-based measurements. Another study explored trends in city aerosol optical depth (AOD) from a spaceborne passive remote sensor, Moderate Resolution Imaging Spectroradiometer (MODIS), and found that these trends agree well with trends in city surface PM2.5, which provides confidence in the use of city AOD for city PM2.5 trend studies (Vohra et al 2021). In a follow-on study, steep and significant trends (~2.5 to 7.8% a-1) in AOD are found for several South Asian cities (e.g., Bangalore and Hyderabad), suggesting rapid growth in PM2.5 (Vohra et al 2022). Also in this presentation, we report results on our current collective SAPM study of India, a country that exhibits high levels of PM2.5 pollution. We show the temporal (i.e., seasonal) and spatial variability of PM2.5 over India using the CALIOP and CATS+model approaches, comparisons between the estimated PM2.5 from the retrieval schemes, and validation with in situ PM2.5 ground-based observations from the Central Pollution Control Board in India. This region provides us with an excellent case study to test our PM2.5 retrievals in heavily polluted scenes and over a complex and varying topography. The SAPM Topic group actively seeks international participants/collaborators in our group, including those working with in situ aerosol measurements (e.g., ACTRIS). We are interested in aerosol datasets in order to either improve our PM2.5 estimates from various approaches (e.g., using in situ mass scattering/absorption coefficient and aerosol hygroscopic properties for various aerosol species) and/or validate the PM2.5 estimates (e.g., using in situ ground-based PM2.5 concentrations).

Travis D Toth↗
NASA NTRS1993

Conical Euler analysis and active roll suppression for unsteady vortical flows about rolling delta wings

A conical Euler code was developed to study unsteady vortex-dominated flows about rolling, highly swept delta wings undergoing either forced motions or free-to-roll motions that include active roll suppression. The flow solver of the code involves a multistage, Runge-Kutta time-stepping scheme that uses a cell-centered, finite-volume, spatial discretization of the Euler equations on an unstructured grid of triangles. The code allows for the additional analysis of the free to-roll case by simultaneously integrating in time the rigid-body equation of motion with the governing flow equations. Results are presented for a delta wing with a 75 deg swept, sharp leading edge at a free-stream Mach number of 1.2 and at 10 deg, 20 deg, and 30 deg angle of attack alpha. At the lower angles of attack (10 and 20 deg), forced-harmonic analyses indicate that the rolling-moment coefficients provide a positive damping, which is verified by free-to-roll calculations. In contrast, at the higher angle of attack (30 deg), a forced-harmonic analysis indicates that the rolling-moment coefficient provides negative damping at the small roll amplitudes. A free-to-roll calculation for this case produces an initially divergent response, but as the amplitude of motion grows with time, the response transitions to a wing-rock type of limit cycle oscillation, which is characteristic of highly swept delta wings. This limit cycle oscillation may be actively suppressed through the use of a rate-feedback control law and antisymmetrically deflected leading-edge flaps. Descriptions of the conical Euler flow solver and the free-to roll analysis are included in this report. Results are presented that demonstrate how the systematic analysis of the forced response of the delta wing can be used to predict the stable, neutrally stable, and unstable free response of the delta wing. These results also give insight into the flow physics associated with unsteady vortical flows about delta wings undergoing forced motions and free-to-roll motions, including the active suppression of the wing-rock type phenomenon. The conical Euler methodology developed is directly extend able to three-dimensional calculations.

Lee-Rausch, Elizabeth M.↗
DOE OSTI2019

Annual Status Report (FY 2018): Performance Assessment for the Disposal of Low-Level Waste in the 200 East Area Burial Grounds (Rev. 0)

This annual review provides the projected dose estimates of radionuclide inventories disposed in the active 200 East Area Low-Level Waste Burial Grounds (LLBGs) since September 26, 1988. These estimates are calculated using the original dose methodology developed in the performance assessment (PA) analysis. The estimates are compared with performance objectives defined in U.S. Department of Energy (DOE) requirements (DOE O 435.1 Chg 1 and companion documents DOE M 435.1-1 Chg 1 and DOE G 435.1-1). All performance objectives are currently satisfied, and operational waste acceptance criteria and waste acceptance practices continue to be sufficient to maintain compliance with performance objectives. Inventory estimates and associated dose estimates from future waste disposal actions are unchanged from previous years' evaluations that indicate potential impacts well below performance objectives; therefore, future compliance with DOE O 435.1 Chg 1 is expected. Within the active burial grounds, low-level waste and mixed low-level waste currently may be disposed only in the dedicated U.S. Navy reactor compartment trench in the 218-E-12B Burial Ground (Trench 94). Naval reactor compartment disposal at Trench 94 will continue. During this reporting period (fiscal year 2018, from October 1, 2017, through September 30, 2018), two reactor compartments were disposed in Trench 94. Results from multi-year diffusion experiments are summarized for this reporting period to quantify the efficacy of concrete waste forms in retaining key radionuclides (e.g., uranium-238, technetium-99, and iodine-129). The results of sorption experiments initiated in FY 2017 to evaluate sorption coefficients for iodine and technetium are also summarized. The test durations ranged from 1 to 6 months. Continued groundwater monitoring of the 200 East Area LLBGs indicates no groundwater contamination due to LLBG waste. Current assumptions about future land use at the Hanford Site are consistent with PA analysis assumptions of a post-closure facility that will not be degraded by human activity. The LLBGs are located in an area identified for waste management and containment of residual contamination. This area will remain after final environmental remediation and the proposed shrinkage of Hanford Site boundaries to small sections within the 200 East Area and 200 West Area in the Central Plateau. Overall, there are no substantive changes to primary PA assumptions and no changes to the PA analysis conclusion; therefore, compliance with DOE O 435.1 Chg 1 is being maintained.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory

Acidic zeolites are effective catalysts for the cracking of large hydrocarbon molecules into lower molecular weight products required for transportation fuels. However, the ways in which the zeolite structure affects the catalytic activity at Brønsted protons are not fully understood. One way to characterize the influence of the zeolite structure on the catalysis is to study alkane cracking and dehydrogenation at very low conversion, conditions for which the kinetics are well defined. To understand the effects of zeolite structure on the measured rate coefficient (k app ), it is necessary to identify the equilibrium constant for adsorption into the reactant state (K ads-H + ) and the intrinsic rate coefficient of the reaction (k int ) at reaction temperatures, since k app is proportional to the product of K ads-H + and k int . We show that K ads-H + cannot be calculated from experimental adsorption data collected near ambient temperature, but can, however, be estimated accurately from configurational-bias Monte Carlo (CBMC) simulations. Finally, using monomolecular cracking and dehydrogenation of C 3 –C 6 alkanes as an example, we review recent efforts aimed at elucidating the influence of the acid site location and the zeolite framework structure on the observed values of k app and its components, K ads-H + and k int .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Immobilization of active ammonia-oxidizing archaea in hydrogel beads

Abstract Ammonia-oxidizing archaea (AOA) are major players in the nitrogen cycle but their cultivation represents a major challenge due to their slow growth rate and limited tendency to form biofilms. In this study, AOA was embedded in small (~2.5 mm) and large (~4.7 mm) poly(vinyl alcohol) (PVA)—sodium alginate (SA) hydrogel beads cross-linked with four agents (calcium, barium, light, or sulfate) to compare the differences in activity, the diffusivity of nitrogen species (NH 4 + , NO 2 − , and NO 3 − ), and polymer leakage in batch systems over time. Sulfate-bound PVA-SA beads were the most stable, releasing the lowest amount of polymer without shrinking. Diffusion coefficients were found to be 2 to 3 times higher in hydrogels than in granules, with ammonium diffusivity being ca . 35% greater than nitrite and nitrate. Despite a longer lag phase in small beads, embedded AOA sustained a high per volume rate of ammonia oxidation compatible with applications in research and wastewater treatment.

42 ENGINEERING↗
DOE OSTI2023

Effect of a redox-mediating ligand shell on photocatalysis by CdS quantum dots

Semiconductor quantum dots (QDs) are efficient organic photoredox catalysts due to their high extinction coefficients and easily tunable band edge potentials. Despite the majority of the surface being covered by ligands, our understanding of the effect of the ligand shell on organic photocatalysis is limited to steric effects. We hypothesize that we can increase the activity of QD photocatalysts by designing a ligand shell with targeted electronic properties, namely, redox-mediating ligands. Herein, we functionalize our QDs with hole-mediating ferrocene (Fc) derivative ligands and perform a reaction where the slow step is hole transfer from QD to substrate. Surprisingly, we find that a hole-shuttling Fc inhibits catalysis, but confers much greater stability to the catalyst by preventing a build-up of destructive holes. We also find that dynamically bound Fc ligands can promote catalysis by surface exchange and creation of a more permeable ligand shell. Finally, we find that trapping the electron on a ligand dramatically increases the rate of reaction. Furthermore, these results have major implications for understanding the rate-limiting processes for charge transfer from QDs and the role of the ligand shell in modulating it.

Chemistry↗