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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

KETCHUP: Parameterizing of large-scale kinetic models using multiple datasets with different reference states

Large-scale kinetic models provide the computational means to dynamically link metabolic reaction fluxes to metabolite concentrations and enzyme levels while also conforming to substrate level regulation. However, the development of broadly applicable frameworks for efficiently and robustly parameterizing models remains a challenge. Challenges arise due to both the heterogeneity, paucity, and difficulty in obtaining flux and/or concentration data but also due to the computational difficulties of the underlying parameter identification problem. Both the computational demands for parameterization, degeneracy of obtained parameter solutions and interpretability of results has so far limited widespread adoption of large-scale kinetic models despite their potential. Herein, we introduce the Kinetic Estimation Tool Capturing Heterogeneous Datasets Using Pyomo (KETCHUP), a flexible parameter estimation tool that leverages a primal-dual interior-point algorithm to solve a nonlinear programming (NLP) problem that identifies a set of parameters capable of recapitulating the (non)steady-state fluxes and concentrations in wild-type and perturbed metabolic networks. KETCHUP is benchmarked against previously parameterized large-scale kinetic models demonstrating an at least an order of magnitude faster convergence than the tool K-FIT while at the same time attaining better data fits. Finally, this versatile toolbox accepts different kinetic descriptions, metabolic fluxes, enzyme levels and metabolite concentrations, under either steady-state or instationary conditions to enable robust kinetic model construction and parameterization. KETCHUP supports the SBML format and can be accessed at https://github.com/maranasgroup/KETCHUP.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Characterization of high-temperature figure of merit for solar-thermal absorbers

The figure of merit (FOM) is a widely used metric to characterize the solar-thermal conversion performance of solar absorber layers. Many of previous works have reported FOMs estimated from the radiative properties measured at room temperature. However, advanced concentrated solar power (CSP) plants operate at very high temperatures (~750°C), which can strongly affect the absorber’s radiative properties. Here, the present work proposes using a 1-D conduction-based reference bar technique to directly measure the converted thermal energy to determine the FOM at high absorber temperatures (≳ 750°C) while operating under a large solar concentration (~ 1200 x suns). Using the finite difference method, we carefully analyze several key parameters influencing the design of the experimental setup, such as temperature distribution, material properties, heat loss, and sensor accuracy. In addition, a rigorous uncertainty analysis is incorporated into the FOM to ascertain the confidence level of the result. We validate this new technique on a custom-built tungsten reference bar with an oxidized Inconel 625 solar-thermal absorber. A good agreement between the model and the experiment shows the reliability of the FOM measurement with a well-defined uncertainty. The same method can be implemented to measure the high-temperature FOM of most surface or volumetric solar absorbers for CSP.

14 SOLAR ENERGY↗
DOE OSTI2022

Large-Scale Interlaboratory DI-FT-ICR MS Comparability Study Employing Various Systems

We report ultra-high resolution mass spectrometry (UHR-MS) coupled with direct infusion (DI) electrospray ionization offers a fast solution for accurate untargeted profiling. Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers have been shown to produce a wealth of insights into complex chemical systems because they enable unambiguous molecular formula assignment even if the vast majority of signals is of unknown identity. Inter-laboratory comparisons are required to apply this type of instrumentation in quality control (for food industry or pharmaceutics), large-scale environmental studies or clinical diagnostics. Extended comparisons employing different FT-ICR MS instruments with qualitative direct infusion analysis are scarce since the majority of detected compounds cannot be quantified. The extent to which observations can be reproduced by different laboratories remains unknown. We set up a preliminary study which encompassed a set of seventeen laboratories around the globe, diverse in instrumental characteristics and applications, to analyze the same sets of extracts from commercially available standard human blood plasma and Standard Reference Material (SRM) for blood plasma (SRM1950), which were delivered at different dilutions or spiked with different concentrations of pesticides. The aim of this study was to assess the extent to which the outputs of differently tuned FTICR mass spectrometers, with different technical specifications, are comparable for setting the frames of a future DI-FT-ICR MS ring trial. We concluded that a cluster of five laboratories, with diverse instrumental characteristics showed comparable and representative performance across all experiments, setting a reference to be used in a future ring trial on blood plasma.

47 OTHER INSTRUMENTATION↗
NASA NTRS1984

A research program in determination of heavy metals in sediments and benthic species in relation to nuclear power plant operation

Heavy metals in the estuarine environment can be toxic to fish and shellfish early life history stages and concentrations build up to levels of concern in marketable shellfish. The present survey was begun just before startup in 1974 of the 1900 megawatt Calvert Cliffs Nuclear Power Plant on the Chesapeake Bay in order to assess and understand factors relating to heavy metal accumulation in estuarine biota. Oysters were collected in large numbers at test and reference sites in June 1974 to 77 and individually analyzed for copper and zinc. Oyster copper and zinc concentrations were correlated with salinity read at time of collection. The relationship of oyster age to metal concentration was examined with two sets of oysters of known age and genetic origin (laboratory spawned). Copper sorption by typical mid Bay sediments, and field studies on cadmium concentrations in sediments were examined.

Phelps, H. L.↗
DOE OSTI2024

Printed Potentiometric Ammonium Sensors for Agriculture Applications

Ammonium (NH 4 + ) concentration is critical to both nutrient availability and nitrogen (N) loss in soil ecosystems but can be highly variable across spatial and temporal scales. For this reason, effectively informing agricultural practices such as fertilizer management and understanding of mechanisms of soil N loss require sensor technologies to monitor ammonium concentrations in real time. Our work investigates the performance of fully printed ammonium ion-selective sensors used in diverse soil environments. Ammonium sensors consisting of a printed ammonium ion-selective electrode and a printed Ag/AgCl reference were fabricated and characterized in aqueous solutions and three different soil types (sand, peat, and clay) under the range of ion concentrations likely to be present in soil (0.01–100 mM). The response of ammonium sensors was further evaluated under variable gravimetric moisture content in the soil to reflect their reliability under field conditions. Ammonium sensors demonstrated a sensitivity of 53.6 ± 5.1 mV/decade when tested in aqueous solution, and a sensitivity of 55.7 ± 11 mV/dec, 57.5 ± 4.1 mV/dec, and 43.7 ± 4 mV/dec was measured in sand, clay, and peat soils, respectively.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Chlorination of uranium metal in molten NaCl-CaCl 2 via bubbling HCl

Molten chloride salt fast reactors (MCFRs) will require UCl 3 dissolved in molten salt mixtures as fuel for nuclear fission. For infusing the salt with UCl 3 , bubbling HCl into NaCl-CaCl 2 in contact with U metal was investigated. The reaction was run up to 9 h and yielded U concentration up to 0.652 wt.%. Open circuit potential between a W electrode and Ag/AgCl reference electrode yielded a potential consistent with uranium existing as U(III) in the salt. Furthermore, this demonstrates that HCl can be a very effective chlorinating agent to infuse MCFR fuel with UCl 3 starting from U metal.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Development of multifunctional nylon 6,6-based nanocomposites with high electrical and thermal conductivities by scalable melt and dry blending methods for automotive applications

With the advent of intelligent automobile technology, the demand for multifunctional composites with higher electrical and thermal conductivities is increasing. We have herein reported for the first time the effect of polyolester on the dispersion of carbon nanotube (CNT) in the short-carbon fiber (CF)/nylon 6,6 (PA66) composite using a scalable melt-mixing and dry-blending method and its subsequent improvement in electrical and thermal conductivities. Masterbatches were prepared with a higher concentration of CNT (both untreated and polyolester-treated) followed by dry blended with reference composite (30 wt% CF and 10 wt% mineral fiber filled PA66) before making coupons via injection molding. A 500% and 63% improvements in electrical (3.14 S cm -1 ) and thermal conductivities (in-plane) (1.99 W m -1 K -1 ) conductivities were observed by adding 1.5 wt% treated CNT compared to the reference composite. The improvements were even higher than that of untreated CNT due to better dispersion. Furthermore, the electromagnetic shielding effectiveness reached 61 dB for 1.5 wt% treated CNT-filled composite (39% enhancement). In conclusion, these results are significant in imparting multiple functionalities to the automotive composite parts.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermal conductivity of (Ge 2 Sb 2 Te 5 ) 1–x Cx phase change films

Germanium–antimony–telluride has emerged as a nonvolatile phase change memory material due to the large resistivity contrast between amorphous and crystalline states, rapid crystallization, and cyclic endurance. Improving thermal phase stability, however, has necessitated further alloying with optional addition of a quaternary species (e.g., C). In this work, the thermal transport implications of this additional species are investigated using frequency-domain thermoreflectance in combination with structural characterization derived from x-ray diffraction and Raman spectroscopy. Specifically, the room temperature thermal conductivity and heat capacity of (Ge 2 Sb 2 Te 5 ) 1–x C x are reported as a function of carbon concentration (x ≤ 0:12) and anneal temperature (T ≤ 350 °C) with results assessed in reference to the measured phase, structure, and electronic resistivity. Phase stability imparted by the carbon comes with comparatively low thermal penalty as materials exhibiting similar levels of crystallinity have comparable thermal conductivity despite the addition of carbon. The additional thermal stability provided by the carbon does, however, necessitate higher anneal temperatures to achieve similar levels of structural order.

42 ENGINEERING↗
DOE OSTI2021

Ion correlations drive charge overscreening and heterogeneous nucleation at solid–aqueous electrolyte interfaces

Significance Ion distributions at charged solid–water interfaces, referred to as the electrical double layer (EDL), are poorly understood at high ion concentrations, in part due to the lack of molecular-scale descriptions of the interactions between adsorbed hydrated ions. Here, direct visualization of the salinity-dependent evolution of EDL structure reveals molecular origins of nonclassical transformation of the EDL, in which charge overscreening and heterogeneous nucleation are driven by ion–ion correlations at the interfaces. This manifestation of the atomistic basis of nonclassical behaviors provides a much-needed understanding of the impact of ion cooperativity at charged interfaces for the development of predictive models for element transport in natural environments and advanced technologies for material growth and synthesis in saline environments.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Characterization of actinide abundances and isotopic compositions by HR-ICP-MS. Part 2: Results from actinide doping studies

Previously, we presented actinide isotopic and elemental data from fallout melt glass that was measured using high-resolution inductively coupled plasma mass spectrometry (HR-ICP-MS). Direct comparison between these measurements and ‘gold standard’ data obtained by multi-collector ICP-MS showed broad overlap, indicating that HR-ICP-MS is a potentially valuable technique for producing actinide elemental and isotopic data on a relatively rapid timescale. To test the usefulness of this technique further, we doped varying amounts of uranium certified reference materials (CRMs) into a rhyolitic rock standard to establish the effects of uranium concentration and isotopic composition on the accuracy of uranium isotopic analyses by HR-ICP-MS. This also enabled us to quantify peak tailing effects from 238 U on the measurement of 239 Pu and 237 Np, which in turn allows us to constrain correction factors based on measured 237 Np/ 238 U and 239 Pu/ 238 U ratios. A second doping study involved the addition of a mixed actinide standard into three samples with different matrix compositions (termed soil, city, and seawater) to assess whether sample chemistry affects the accuracy and precision of these analyses. Results suggest that this is not the case. Systematic offsets were not observed in elemental or isotopic data derived from the three matrix samples. Results indicate that useful actinide isotopic data can be obtained from whole rock solutions by HR-ICP-MS. Our findings also have implications for solid sampling techniques such as laser ablation ICP-MS, which do not require sample dissolution.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS1980

Satellite power systems (SPS) concept definition study. Volume 2, part 1: System engineering

Top level trade studies are presented, including comparison of solid state and klystron concepts, higher concentration on the solar cells, composite and aluminum structure, and several variations to the reference concept. Detailed trade studies are presented in each of the subsystem areas (solar array, power distribution, structures, thermal control, attitude control and stationkeeping, microwave transmission, and ground receiving station). A description of the selected point design is also presented.

Hanley, G. M.↗
NASA NTRS1984

Experimental determination of the partitioning of gallium between solid iron metal and synthetic basaltic melt Electron and ion microprobe study

The distribution of Ga between solid Fe metal and synthetic basaltic melt is investigated experimentally at temperatures of 1190 and 1330 C, and over a narrow range of oxygen fugacities. Metal-silicate reversal experiments were conducted, indicating a close approach to equilibrium. The analysis of the partitioned products was performed using electron and ion microprobes. At one bar total pressure, the solid metal/silicate melt partition coefficient D(Ga) is used to evaluate metal-silicate fractionation processes in the earth, moon, and Eucrite Parent Body (EPB). It is found that the depletion of Ga abundances in the EPB is due to the extraction of Ga into a metallic core. Likewise, the depletion of Ga in the lunar mantle is consistent with the extraction of Ga into a smaller lunar core if Ga was originally present in a subchondritic concentration. The relatively high Ga abundances in the earth's mantle are discussed, with reference to several theoretical models.

Drake, M. J.↗
NASA NTRS1985

Interpretation of AIS Images of Cuprite, Nevada Using Constraints of Spectral Mixtures

A technique is outlined that tests the hypothesis Airborne Imaging Spectrometer (AIS) image spectra are produced by mixtures of surface materials. This technique allows separation of AIS images into concentration images of spectral endmembers (e.g., surface materials causing spectral variation). Using a spectral reference library it was possible to uniquely identify these spectral endmembers with respect to the reference library and to calibrate the AIS images.

Smith, M. O.↗
NASA NTRS1994

Wide-Field Retroreflectors

Retroreflectors made of concentric spherical optical elements developed for use in interferometric metrological systems. Used to provide reference point on structure to be aligned precisely in two or three dimensions by use of intersecting laser beams. Acceptance angle much larger than that of cat's-eye or corner-cube retroreflector: Simultaneously reflects laser beams separated by angles as large as 180 degrees.

Page, Norman A.↗
NASA NTRS1997

Global Survey of the Relationship Between Cloud Droplet Size and Albedo Using ISCCP

Aerosols affect climate through direct and indirect effects. The direct effect of aerosols (e.g., sulfates) includes reflection of sunlight back toward space and for some aerosols (e.g., smoke particles), absorption in the atmosphere; both effects cool the Earth's surface. The indirect effect of aerosols refers to the modification of cloud microphysical properties, thereby affecting the radiation balance. Higher concentrations of Cloud Condensation Nuclei (CCN) generally produce higher concentrations of cloud droplets, which are also usually assumed to lead to decreased cloud droplet sizes. The result is an increase in cloud albedo, producing a net radiative cooling, opposite to the warming caused by greenhouse gases (Charlson et al. 1992). The change in clouds that is directly induced by an increase of aerosol concentration is an increase of cloud droplet number density, N; but is is usually assumed that cloud droplet size decreases as if the water mass density Liquid Water Content (LWC) were constant. There is actually no reason why this should be the case. Shifting the cloud droplet size distribution to more numerous smaller droplets can change the relative rates of condensational and coalescence growth, leading to different LWC (e.g., Rossow 1978). Moreover, the resulting change in cloud albedo is usually ascribed to more efficient scattering by smaller droplets, when in fact it is the increase in droplet number density (assuming constant LWC) that produces the most important change in cloud albedo: e.g., holding N constant and decreasing the droplet size would actually decrease the scattering cross-section and, thus, the albedo much more than it is increased by the increased scattering efficiency.

Han, Qingyuan↗
NASA NTRS2012

Performance Characterization and Simulation of Amine-Based Vacuum Swing Sorption Units for Spacesuit Carbon Dioxide and Humidity Control

Controlling carbon dioxide (CO2) and water (H2O) vapor concentrations in a space suit is critical to ensuring an astronauts safety, comfort, and capability to perform extra-vehicular activity (EVA) tasks. Historically, this has been accomplished using lithium hydroxide (LiOH) and metal oxide (MetOx) canisters. Lithium hydroxide is a consumable material that requires priming with water before it becomes effective at removing carbon dioxide. MetOx is regenerable through a power-intensive thermal cycle but is significantly heavier on a volume basis than LiOH. As an alternative, amine-based vacuum swing beds are under aggressive development for EVA applications. The vacuum swing units control atmospheric concentrations of both CO2 and H2O through fully-regenerative process. The current concept, referred to as the rapid cycle amine (RCA), has resulted in numerous laboratory prototypes. Performance of these prototypes have been assessed experimentally and documented in previous reports. To support developmental e orts, a first principles model has also been established for the vacuum swing sorption technology. For the first time in several decades, a major re-design of Portable Life Support System (PLSS) for the extra-vehicular mobility unit (EMU) is underway. NASA at Johnson Space Center built and tested an integrated PLSS test bed of all subsystems under a variety of simulated EVA conditions of which the RCA prototype played a significant role. The efforts documented herein summarize RCA test performance and simulation results for single and variable metabolic rate experiments in an integrated context. In addition, a variety of off-nominal tests were performed to assess the capability of the RCA to function under challenging circumstances. Tests included high water production experiments, degraded vacuum regeneration, and deliberate valve/power failure and recovery.

Swickrath, Michael J.↗
NASA NTRS2014

High-Precision Measurement of Eu/Eu* in Geological Glasses via LA-ICP-MS Analysis

Elemental fractionation during laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) analysis has been historically documented between refractory and volatile elements. In this work, however, we observed fractionation between light rare earth elements (LREEs) and heavy rare earth elements (HREEs) when using ablation strategies involving large spot sizes (greater than 100 millimeters) and line scanning mode. In addition: (1) ion yields decrease when using spot sizes above 100 millimeters; (2) (Eu/Eu*)(sub raw) (i.e. Europium anomaly) positively correlates with carrier gas (He) flow rate, which provides control over the particle size distribution of the aerosol reaching the ICP; (3) (Eu/Eu*)(sub raw) shows a positive correlation with spot size, and (4) the changes in REE signal intensity, induced by the He flow rate change, roughly correlate with REE condensation temperatures. The REE fractionation is likely driven by the slight but significant difference in their condensation temperatures. Large particles may not be completely dissociated in the ICP and result in preferential evaporation of the less refractory LREEs and thus non-stoichiometric particle-ion conversion. This mechanism may also be responsible for Sm-Eu-Gd fractionation as Eu is less refractory than Sm and Gd. The extent of fractionation depends upon the particle size distribution of the aerosol, which in turn is influenced by the laser parameters and matrix. Ablation pits and lines defined by low aspect ratios produce a higher proportion of large particles than high aspect ratio ablation, as confirmed by measurements of particle size distribution in the laser induced aerosol. Therefore, low aspect ratio ablation introduces particles that cannot be decomposed and/or atomized by the ICP and thus results in exacerbated elemental fractionation. Accurate quantification of REE concentrations and Eu/Eu* requires reduction of large particle production during laser ablation. For the reference materials analyzed in this work, the 100 millimeters spot measurements of Eu/Eu* agreed with GeoRem preferred values within 3 percent. Our long-term analyses of Eu/Eu* in MPI-DING glass KL-2G and USGS glass BIR-1G were reproducible at 3 percent (2 RSD).

geological glasses↗