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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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NASA NTRS1993

Anion-exchange high-performance liquid chromatography with post-column detection for the analysis of phytic acid and other inositol phosphates

The use of gradient anion-exchange HPLC, with a simple post-column detection system, is described for the separation of myo-inositol phosphates, including "phytic acid" (myo-inositol hexaphosphate). Hexa-, penta-, tetra-, tri- and diphosphate members of this homologous series are clearly resolved within 30 min. This method should facilitate analysis and quantitation of "phytic acid" and other inositol phosphates in plant, food, and soil samples.

NASA Discipline Life Support Systems↗

NASA NTRS2011

Flight Testing of the Forward Osmosis Bag for Water Recovery on STS-135

The Forward Osmosis Bag (FOB) is a personal water purification device for recovery of potable liquid from almost any non-potable water source. The FOB experiment was flown as a sortie mission on STS-135/ULF7 using flight-certified materials and a design based on the X-Pack(TradeMark) from Hydration Technology Innovations (Albany, OR). The primary objective was to validate the technology for use under microgravity conditions. The FOB utilizes a difference in solute concentration across a selectively permeable membrane to draw water molecules from the non-potable water while rejecting most chemical and all microbial contaminants contained within. Six FOB devices were tested on STS-135 for their ability to produce a potable liquid permeate from a feed solution containing 500 mL potassium chloride (15 g/L) amended with 0.1% methyl blue dye (w:v) tracer against an osmotic gradient created by addition of 60 mL of concentrate containing the osmolytes fructose and glucose, and 0.01% sodium fluorescein (w:v) tracer. Three FOB devices were physically mixed by hand for 2 minutes by a crewmember after loading to augment membrane wetting for comparison with three unmixed FOB devices. Hydraulic flux rate and rejection of salt and dye in microgravity were determined from a 60-mL sample collected by the crew on orbit after 6 hours. Post-flight analysis of samples collected on orbit demonstrated that the Forward Osmosis Bag achieved expected design specifications in microgravity. The hydraulic flux rate of water across the membrane was reduced approximately 50% in microgravity relative to ground controls that generated an average of 50 mL per hour using the same water and osmolyte solutions. The membrane rejected both potassium and chloride at >92% and methyl blue dye at >99.9%. Physical mixing of the FOB during water recovery did not have any significant effect on either flux rate or rejection of solutes from the water solution. The absence of buoyancy-driven convection in microgravity suggests that mass transport was dominated by diffusion, slowing the rate of permeate production across the membrane. It is possible that a predicted reduction in concentration polarization at the membrane surface that may have acted to increase the rate of permeate production in microgravity was negligible under the described test conditions.

Roberts, Michael S.↗

DOE OSTI2025

HfTa_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-tantalum (Hf-Ta). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Ta. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect BCC lattice sites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,040 randomized atomic structures over 31 chemical compositions. Further methodological and structural information is contained in the dataset README.txt file.

36 MATERIALS SCIENCE↗

DOE OSTI2022

REGAL International Program: Analysis of experimental data for depletion code validation

The Rod-Extremity and Gadolinia AnaLysis (REGAL) Program is a joint international effort to expand the nuclide inventory experimental data for irradiated nuclear fuel, with a specific focus on addressing two challenging needs associated with the characterization of modern, high duty, nuclear fuel. The first challenge is filling the gaps in experimental nuclide inventory data for gadolinia (UO 2 –Gd 2 O 3 ) fuel rods. The huge absorption cross sections of Gd-155 and Gd-157 in the Gd dopant in these rods lead to atypical spatial self-shielding patterns and have an impact on the neutronic environment within the fuel assembly compared to regular UO 2 fuel rods. Additionally, the second challenge is investigating the impact of burnup gradients at rod extremities on fuel composition and neutron leakage, to provide relevant experimental data for assessing computational capabilities to model such impact. A benchmark has been defined as a first step in the development of best-estimate models in the preliminary phase of the experimental data evaluation. Comparison of experimental results obtained in Phase I of the program for two measured pressurized water reactor (PWR) samples, one UO 2 and one UO 2 –Gd 2 O 3 sample, with calculated results obtained with different computational tools based on the defined benchmark are presented and discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Macroscopic trends of linear tearing stability in cylindrical current profiles

Abstract The likelihood of realising tokamak power-plants will be greatly improved by the discovery of high-gain equilibria that resist the formation of small islands and hence avoid the disruptive neoclassical tearing mode. We propose a series of studies to understand how simple tokamak design can leverage aspects of tearing onset physics to maximise passive resistance to island formation. Here we investigate the variation that current profiles can bring about in preventing tearing onset through the cylindrical linear tearing stability parameter Δ ′ . A database of 159148 realistic pilot-plant current profiles was generated with Monte Carlo sampling, and the distribution of Δ ′ values was linked with interpretable profile characteristics. In agreement with prior theoretical and experimental studies, Δ ′ was found to be strongly correlated with the existence and steepness of a local toroidal current well or hill, with the former destabilising and the latter stabilising. In the absence of these two cases, the remaining Δ ′ values were linearly bounded by the toroidal current gradient at the rational surface.

Physics↗

DOE OSTI2025

CO2 and CH4 leaf-level fluxes and soil porewater concentrations from common vegetation patches in Louisiana’s coastal wetlands

This dataset contains leaf-level flux and soil porewater concentration measurements of carbon dioxide (CO2) and methane (CH4 ) in plots in the footprint of Ameriflux sites US-LA2 and US-LA3. Leaf fluxes in US-LA2 were measured on patches dominated by Sagittaria lancifolia and co-dominated by Sagittaria lancifolia and Typha latifolia. In US-LA3, fluxes were measured from distinct Juncus roemerianus and Spartina alterniflora patches. The porewater concentrations were collected across a vertical profile (~50 cm depth) at centric locations within 25 m2 plots where we measured the leaf fluxes. US-LA3 included an additional set of measurements in open water spots. We aimed to evaluate differences in leaf fluxes and porewater pools of CO2 and CH4 of representative ecohydrological patches across a salinity gradient. We also used this dataset to help develop ELM-Wet, a more realistic representation of wetland carbon biogeochemical processes within the U.S. Department of Energy’s Energy Exascale Earth System Model (E3SM) Land Model version 1 (ELM v.1). The files can be opened with regular text editors or spreadsheet programs. Version 2.0 (8/26/2025): This is the latest version of this dataset. The update includes additional samples of soil porewater CH4/CO2 concentrations from June-2021 to November-2022, as well as minor adjustments made to V1 samples via changing Henry's solubility to account for porewater salinity. Additionally leaf-level measurments of spectral indices, PSRI, NDVI, and PRI have been added to complement Leaf-level flux measurements. All V1 data sets have been integrated into V2 sheets, ensuring data from the previous version is contained with the additional samples and consistent with V2 metadata.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1987

Growth rate of CdS by vapor transport in a closed ampoule

Vapor transport of CdS in a closed ampoule due to a temperature gradient was investigated. Comparisons between the theoretical and experimental growth rate for the following conditions were made: (1) with and without the presence of Ar gas, (2) convective contribution to the growth rate in the vertical and horizontal configurations, and (3) the effect of starting material composition on the growth rate. It was found that Cd reacts with fused silica ampoules and causes the contamination of CdS samples.

Su, Ching-Hua↗

NASA NTRS1990

Acceleration effects observed in optical data taken in Spacelab 3 FES

Optical instrumentation in the Fluids Experiment System (FES) is briefly described. Samples of the data produced by the schlieren and holography systems during the Spacelab 3 flight are then presented with some of the holographic interferometry data being presented for the first time. Acceleration effects that can be observed in these data are discussed and the potential for using them as a basis for measurement is explored. This includes the tracking of deliberately introduced tracer particles and density gradients in the FES, the analysis of the existing concentration gradients, and a new fiber optic G-meter concept. Finally, some of the plans for acceleration measurement in the upcoming International Microgravity-1/FES are described.

Trolinger, James↗

NASA NTRS1992

CRYOSTAT (18-IML-1)

The CRYOSTAT is an autonomously working rack mounted equipment. It provides two thermostat chambers, independently controlled by a processor via on/off switching of the current through peltier elements. The temperature profiles of the freezer and stabilizer are subdivided in a common number of steps, each one with a preprogrammable temperature gradient or at constant temperature. Core parameters can be reprogrammed by crew interaction in case of rescheduling the CRYOSTAT operation time due to changed mission requirements or contingency. Actions of the CRYOSTAT (e.g., opening the slide), the steps, actual temperature of the thermostat chambers, experiment time, and the housekeeping data are recorded on a built-in RAM and a tape. In each thermostat chamber, a specific sample container can be inserted which consists of a transparent Plexiglas block accommodating seven crystallization experiments.

Source record↗

NASA NTRS2002

Synthesis and thermoeletric properties of Co(sub (1-x)ni)(sub X)P(sub 3) and CoAs((sub 3-x))P(sub x) skutterudites

Two types of promising phosphide skutterudite materials, Co(1-x)NixP3 (x= 0.025 to 0.70) and CoAs(3-x)Px (x=0.5 to 0.10), have been synthesized and their transport properties measured. These compounds were prepared using a direct synthesis technique. The samples were hot pressed and analyzed by electron microprobe microscopy. Hall Effect measurements were conducted to determine the electrical conductivity, mobility and carrier concentration. In addition, Seebeck voltage and thermal conductivity measurements were performed. The thermoelectric properties are presented anddiscussed as a function of temperature up to 1273 K. The thermal stability of the primary CoP3 was examined in a static vacuum under isothermal and in-gradient conditions. The effect of the presence of 1 atm of a cover gas on the material loss rate was analyzed.

thermoelectric↗

DOE OSTI2023

Physics-Driven Convolutional Autoencoder Approach for CFD Data Compressions: Preprint

With the growing size and complexity of turbulent flow models, data compression approaches are of the utmost importance to analyze, visualize, or restart the simulations. Recently, in-situ autoencoder-based compression approaches have been proposed and shown to be effective at producing reduced representations of turbulent flow data. However, these approaches focus solely on training the model using point-wise sample reconstruction losses that do not take advantage of the physical properties of turbulent flows. In this paper, we show that training autoencoders with additional physics-informed regularizations, e.g., enforcing incompressibility and preserving enstrophy, improves the compression model in three ways: (i) the compressed data better conform to known physics for homogeneous isotropic turbulence without negatively impacting point-wise reconstruction quality, (ii) inspection of the gradients of the trained model uncovers changes to the learned compression mapping that can facilitate the use of explainability techniques, and (iii) as a performance byproduct, training losses are shown to converge up to 12x faster than the baseline model.

auto-encoders↗

DOE OSTI2020

Hard, transparent, sp3-containing 2D phase formed from few-layer graphene under compression

Despite several theoretically proposed two-dimensional (2D) diamond structures, experimental efforts to obtain such structures are in initial stage. Recent high-pressure experiments provided significant advancements in the field, however, expected properties of a 2D-like diamond such as sp 3 content, transparency and hardness, have not been observed together in a compressed graphene system. Here, we compress few-layer graphene samples on SiO 2 /Si substrate in water and provide experimental evidence for the formation of a quenchable hard, transparent, sp 3 -containing 2D phase. Our Raman spectroscopy data indicates phase transition and a surprisingly similar critical pressure for two-, five-layer graphene and graphite in the 4e6 GPa range, as evidenced by changes in several Raman features, combined with a lack of evidence of significant pressure gradients or local non-hydrostatic stress components of the pressure medium up to ≈ 8 GPa. The new phase is transparent and hard, as evidenced from indentation marks on the SiO 2 substrate, a material considerably harder than graphene systems. Furthermore, we report the lowest critical pressure (≈ 4 GPa) in graphite, which we attribute to the role of water in facilitating the phase transition. Overall, theoretical calculations and experimental data indicate a novel, surface to- bulk phase transition mechanism that gives hint of diamondene formation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Active matter shepherding and clustering in inhomogeneous environments

Here, we consider a mixture of active and passive run-and-tumble disks in an inhomogeneous environment where only half of the sample contains quenched disorder or pinning. The disks are initialized in a fully mixed state of uniform density. We identify several distinct dynamical phases as a function of motor force and pinning density. At high pinning densities and high motor forces, there is a two-step process initiated by a rapid accumulation of both active and passive disks in the pinned region, which produces a large density gradient in the system. This is followed by a slower species phase separation process where the inactive disks are shepherded by the active disks into the pin-free region, forming a nonclustered fluid and producing a more uniform density with species phase separation. For higher pinning densities and low motor forces, the dynamics becomes very slow and the system maintains a strong density gradient. For weaker pinning and large motor forces, a floating clustered state appears, and the time-averaged density of the system is uniform. We illustrate the appearance of these phases in a dynamic phase diagram.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

PyTREES

PyTREES (Python tool for Training/Testing Robust Explainable Ensembles on Spectra) is software that implements a data-driven approach to predicting the amount of specific oxides present in materials samples of laser-induced breakdown spectroscopy (LIBS); such as from the ChemCam instrument suite onboard the NASA Curiosity rover. PyTREES is designed to input LIBS data in the format provided by the ChemCam team [1]. PyTREES then applies appropriate pre-processing to this data [2], and implements several regression methods for predicting oxides from spectra. The regression methods include: ensemble methods (random forest, extra trees, and gradient boosting regression) and blended submodels using the “double blending” technique. PyTREES additionally implements methods for quantifying the importance of features in regression model: (1) mean decrease in impurity (MDI) and (2) permutation importance to investigate the wavelengths used by the regression methods. [1] Gasda et al. (2021). Spectrochim Acta B, 181, 106223. [2] Clegg et al. (2017). Spectrochim Acta B , 129, 64–85.

Oyen, Diane↗

NASA NTRS1982

The digital step edge

The facet model was used to accomplish step edge detection. The essence of the facet model is that any analysis made on the basis of the pixel values in some neighborhood has its final authoritative interpretation relative to the underlying grey tone intensity surface of which the neighborhood pixel values are observed noisy samples. Pixels which are part of regions have simple grey tone intensity surfaces over their areas. Pixels which have an edge in them have complex grey tone intensity surfaces over their areas. Specially, an edge moves through a pixel only if there is some point in the pixel's area having a zero crossing of the second directional derivative taken in the direction of a non-zero gradient at the pixel's center. To determine whether or not a pixel should be marked as a step edge pixel, its underlying grey tone intensity surface was estimated on the basis of the pixels in its neighborhood.

Haralick, R. M.↗

NASA NTRS2000

Preventing Damaging Pressure Gradients at the Walls of an Inflatable Space System

An inflatable structural system to deploy a space system such as a solar shield, an antenna or another similar instrument, requires a stiffening element after it is extended by the inflated gas pressure. The stiffening element has to be packaged in a folded configuration before the deployment. It must be relatively small, lightweight, non-damaging to the inflated system, and be able to become stiff in a short time. One stiffening method is to use a flexible material inserted in the deployable system, which, upon a temperature curing, can become stiff and is capable to support the entire structure. There are two conditions during the space operations when the inflated volume could be damaged: during the transonic region of the launch phase and when the curing of the rigidizing element occurs. In both cases, an excess of pressure within the volume containing the rigid element could burst the walls of the low-pressure gas inflated portion of the system. This paper investigates those two conditions and indicates the vents, which will prevent those damaging overpressures. Vent openings at the non-inflated volumes have been calculated for the conditions existing during the launch. Those vents allow the initially folded volume to exhaust the trapped atmospheric gas at approximately the same rate as the ambient pressure drops. That will prevent pressure gradients across the container walls which otherwise could be as high as 14.7 psi. The other condition occurring during the curing of the stiffening element has been investigated. This has required the testing of the element to obtain the gas generation during the curing and the transformation from a pliable material to a rigid one. The tested material is a composite graphite/epoxy weave. The outgassing of the uncured sample at 121C was carried with the Cahn Microbalance and with other outgassing facilities including the micro-CVCM ASTM E-595 facility. The tests provided the mass of gas evolved during the test. That data, including the chemical nature of the evolved gas, provided the data for the calculation of the pressure produced within the volume. The evaluation of the areas of the vents that would prevent excessive pressures and provide a rapid release of the gas away from contamination sensitive surfaces has been carried out. The pressure decay with time has been indicated.

Scialdone, John J.↗

NASA NTRS2000

Preventing Damaging Pressure Gradients at the Walls of an Inflatable Space System

An inflatable structural system to deploy a space system such as a solar shield, an antenna or another similar instrument requires a stiffening element after it is extended by the inflated gas pressure. The stiffening element has to be packaged in folded configuration before the deployment. It must be relatively small, lightweight, non-damaging to the inflated system and be able to become stiff in a short time. One stiffening method is to use a flexible material inserted in the deployable system, which, upon a temperature curing, can become stiff and is capable of supporting the entire structure. There are two conditions during the space operations when the inflated volume could be damaged: during the transonic region of the launch phase and when the curing of the rigidizing element occurs. In both cases, an excess of pressure within the volume containing the rigid element could burst the walls of the low-pressure gas inflated portion of the system. This paper investigates those two conditions and indicates the vents, which will prevent those damaging overpressures. Vent openings at the non-inflated volumes have been calculated for the conditions existing during the launch. Those vents allow the initially folded volume to exhaust the trapped atmospheric gas at approximately the same rate as the ambient pressure drops. That will prevent pressure gradients across the container walls which otherwise could be as high as 14.7 psi. The other condition occurring during the curing of the stiffening element has been investigated. This has required the testing of the element to obtain the gas generation during the curing and the transformation from a pliable material to a rigid on The tested material is a composite graphite/epoxy weave. The outgassing of the uncured sample at 121 deg Celcius was carried with the Cahn Microbalance and with other outgassing facilities including the micro-CVCM ASTM E-595 facility. The test provided the mass of gas evolved during the test. That data, including the chemical nature of the evolved gas, provided the data for the calculation of the pressure produced within the volume. The evaluation of the areas of the vents that would prevent excessive pressures and provide a rapid release of the gas away from contamination sensitive surfaces has be carried out. The pressure decay with time has been indicated.

Scialdone, John J.↗

NASA NTRS2000

Electric Plasma Arc-Lamp Combustor Liner Durability Test System Developed

Silicon carbide matrix composites are candidate materials for high-temperature combustor liners. Because through-the-thickness thermal gradients are the primary cause of stress on combustor liners, a unique test facility was developed at the NASA Glenn Research Center at Lewis Field to simulate in-service pure thermal stress distributions in fiber reinforced silicon carbide cylinders. It was developed initially under Phase II of the High- Speed Research Program. This test stand can accommodate 8-in.-long test cylinders that have outer diameters of 4 in. and a wall thickness of about 0.08 to 0.12 in. One cylinder at a time is loaded vertically into the test stand. Water-cooled plates enclose the open ends of the cylinder and provide cooling. Load plates on the exterior side of the water-cooled plates provide support and compression loads. To evaluate a combustor liner material s potential performance, researchers induce thermal gradients with an axisymmetric, direct-current, electric arc within the cylinder while refrigerated air at a rate of 1.5 lb/sec impinges on the outside surface of the cylinder. The achievable through-the-thickness thermal gradient is predicted to be in excess of 200 C. The 8-in. long, 0.5-in.-diameter plasma arc emits full spectrum visible light; radiant intensity exceeds 300 Watts per square centimeters to produce temperatures in excess of 1500 C on materials with emissivity near unity. Because the system does not rely upon the combustion of fuels to achieve the related thermal conditions, ancillary environmental reactions with the sample are eliminated. The system incorporates a standard mechanical test frame, which can impose constant as well cyclical axial stresses up to 2200 lb upon the test piece. Silicon-carbide-fiber reinforced silicon carbide matrix composite cylinders were instrumented with thin-film thermocouples to obtain through-the-thickness thermal flux measurements. Inside wall temperatures reached 1200 C with only 250 A of current. One of the special features of this configuration is the creation of hoop stress states within the cylinder, which up this point have not been obtainable in planar coupon tests. This facility will allow various operational modes, including accelerated tests of thermal transients simulating the effects of repeated engine ignition as well as prescribed thermal and mechanical histories to simulate various duty cycle profiles. Tests can now be performed on thermal-barrier-coated metallic liners and ceramic composite liners that require a combination of high heat flux and controlled mechanical stresses.

Goldsby, Jon C.↗