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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Citral Hydrogenation over Dilute Alloy Catalysts

Dilute alloy CuPt and NiPt catalysts are studied in the hydrogenation of citral, a model α,β-unsaturated aldehyde. In situ and ex situ characterization is used to demonstrate that the Pt species within these nanoparticles are well dispersed and approach a single atom alloy structure. The distribution of Pt varies between the two host metal systems; under a hydrogen environment, the nanoparticle surface and near-surface region of the NiPt nanoparticles is Pt rich, while the Pt is more uniformly distributed throughout the CuPt nanoparticles. When used for citral hydrogenation reactions, a rate enhancement is observed upon the addition of Pt to the Cu or Ni host catalysts, however this enhancement is determined to be due to the presence of additional metal and not a synergistic effect of the two metals. The Pt structure does, nonetheless, influence the observed selectivity trends. NiPt/SiO 2 catalysts have high selectivity to the unsaturated aldehyde citronellal while the CuPt/SiO 2 catalysts have increased selectivity to unsaturated alcohol products. Further, this increased selectivity is attributed to a combination of hydrogen dissociation over Pt sites and a decrease in size of Cu ensembles due to the presence of Pt, which favors binding and hydrogenation of C=O rather than C=C bonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

System Design of a 2.0 MWth Sodium/Molten Salt Pilot System

Nitrate molten salt concentrating solar power (CSP) systems are currently deployed globally and are considered state-of the art heat transfer fluids (HTFs) for present day high-temperature operation. Although slightly higher limits may be possible with molten salt, to fully realize SunShot efficiency goals of $15/kWhth HTFs and an LCOE of 6¢/kWh, HTF technologies working at higher temperatures (e.g., 650 °C to 750 °C) will require an alternative to molten salts, such as with alkali metal systems. This investigation explores the development of a 2.0 MWth sodium receiver system that employs a sodium receiver as the HTF, as well as with a ternary chloride (20%NaCl/40%MgCl/40%KCl by mol wt.%) salt as a thermal energy storage (TES) medium to facilitate a 6-hr. storage duration. A sodium-to-salt heat exchanger model as well as a salt-to-sCO2 primary heat exchanger model are employed and evaluated in this investigation. A thermodynamic system design model was developed using Engineering Equation Solver (EES) where state properties were calculated at inlets and outlets along both hot and cold legs of the pilot-scale plant. This investigation assesses receiver performance as well as system efficiency studies for the pump and system operational ranges. Results found that high efficiency sodium receivers were found to have higher heat transfer coefficients and required far less spreading of incident flux. The system performance model results suggest that for a pump speed of 2400 RPM, respective hot and cold pump TDH values were determined to be 260.1–307 ft. and 260.1–307 ft for pump flow rates of 90–120 GPM.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2025

Cold Spray Field Deployment Evaluation for Double-Shell Tank 241-AN-105

This report highlights the documentation that supported Cold Spray field deployment in double-shell tank (DST) 241-AN-105 (AN-105) in July of 2025. This work was a collaborative effort between VRC Metal Systems (VRC), Robotic Technologies of Tennessee (RTT), the Hanford Tank Waste Operation and Closure (H2C) Chief Technology Office, H2C Tank Farm Projects Engineering, H2C Tank and Pipeline Integrity (TAPI) and H2C Ultrasonic Testing (UT) Operations & Support. Since 2019, the Chief Technology Office has been developing Cold Spray technology for refurbishing Hanford’s DSTs (RPP-RPT-65015). This technology is particularly relevant for addressing localized corrosion within the annulus of the DSTs by propelling metal powder particles at supersonic speeds to targeted areas. This process results in high-quality coatings characterized by high bond strength and low porosity result.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1979

A New Method of Metallization for Silicon Solar Cells

A low cost ohmic contact on silicon solar cells based on molybdenum-tin metal systems was developed. The approach is based on the formulation of a screenable ink composed from molybdenum oxide and tin mixture. The reduction of Mo03 into Mo and the establishment of Mo 03:Sn ratio is studied. Both tasks were done in an experimental station constructed for this purpose. The results show that molybdenum was formed from its oxide at 800 C. and improved in bonding to silicon at 900 C. A 20% Mo03-80%Sn mixture was converted into metallic coating within this temperature range.

Macha, M.↗
DOE OSTI2025

GPU acceleration of hybrid functional calculations in the SPARC electronic structure code

We present a Graphics Processing Unit (GPU)-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn–Sham density functional theory. In particular, we develop a batch variant of the recently formulated Kronecker product-based linear solver for the simultaneous solution of multiple linear systems. We then develop a modular, math kernel based implementation for hybrid functionals on NVIDIA architectures, where computationally intensive operations are offloaded to the GPUs, while the remaining workload is handled by the central processing units (CPUs). Considering bulk and slab examples, we demonstrate that GPUs enable up to 8× speedup in node-hours and 80× in core-hours compared to CPU-only execution, reducing the time to solution on V100 GPUs to around 300 s for a metallic system with over 6000 electrons, and significantly reducing the computational resources required for a given wall time.

Kohn-Sham density functional theory↗
DOE OSTI2020

Methods and systems for producing a metal chloride or the like

Systems and methods for producing metal chloride M ICl x from metal M I without the use of HCl and/or Cl 2 gases, including: a bath vessel holding conductive fluid; an anode disposed in the conductive fluid, the anode including metal M.sup.I; a cathode assembly disposed in the conductive fluid, the cathode assembly including a cathode vessel including porous and non-porous portions, the non-porous portion holding sacrificial metal chloride M IICl y substantially separate from metal chloride M ICl x , wherein the cathode assembly includes a center lead disposed within the cathode vessel operable for delivering charge to sacrificial metal chloride M IICl y ; and a power supply coupling the anode and the cathode assembly, the power supply polarized to produce current flow in a direction that causes anodic dissolution of metal M.sup.I into the conductive fluid and deposition of metal M.sup.II within the cathode vessel. The systems and methods apply equally to producing metal halide M IX x .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

Coating with overlay metallic-cermet alloy systems

A base layer of an oxide dispersed, metallic alloy (cermet) is arc plasma sprayed onto a substrate, such as a turbine blade, vane, or the like, which is subjected to high temperature use. A top layer of an oxidation, hot corrosion, erosion resistant alloy of nickel, cobalt, or iron is then arc plasma sprayed onto the base layer. A heat treatment is used to improve the bonding. The base layer serves as an inhibitor to interdiffusion between the protective top layer and the substrate. Otherwise, the 10 protective top layer would rapidly interact detrimentally with the substrate and degrade by spalling of the protective oxides formed on the outer surface at elevated temperatures.

Gedwill, M. A.↗
NASA NTRS2023

Closed Environment Air Revitalization System Based on Metal Organic Framework Adsorbents

This project utilized a systems engineering methodology to develop a vacuum swing adsorption system with full Labview automated control. The project was successful and provided students with an introduction to systems engineering and air revitalization. Specifically, two stainless steel adsorption beds were custom designed and manufactured and a sequence of computer controlled valves were used to deliver CO 2 laden, humid air, to the adsorbent where the CO 2 was removed from the air stream. Runs were completed using 13X zeolite and bed timing and switching was controlled by the computer based on the data output of a CO 2 detector. Adsorption runs using the MOF have not been completed upon the writing of this report; however, the MOF material is currently being synthesized and the runs will be completed upon receipt of the material. A follow up meeting with NASA has been tentatively planned to discuss the output of these experiments. Consistent with systems engineering practice, an end of project assessment of the class was conducted with the students and several items were realized. Specifically, the short period of performance of this grant makes it necessary to maintain a narrowly focused scope on the project such that multiple experiments after systems development (T&E) need to be limited to ensure timely completion of the proposed tasks. Also, procurement of parts may need to be moved forward in time to allow for delivery delays, and it may be necessary to request SDR, PDR, and CDR dates from NASA that are ahead of the NASA anticipated schedule. These types of lessons provided valuable to both the PI and the students and ultimately illustrate the necessity of proper systems engineering schedule risk assessment. The class met the objectives of the project and provided an introduction to systems engineering to undergraduate students. As a metric of that success, the lead engineer of the undergraduate design team acquired a job with an aerospace defense contractor, which he attributed to his knowledge of systems engineering concepts that were acquired via the X-Hab class.

T. Grant Glover↗
DOE OSTI2024

Magnetism and finite-temperature effects in UZr 2 : A density functional theory analysis

The structure and the thermophysical properties of d-UZr 2 are investigated using 0 K density functional theory and ab initio molecular dynamics (AIMD). Modeling the true paramagnetic state of this intermetallic compound has been challenging using first-principles calculations. For the first time, we find that the generalized gradient approximation method without applying an on-site Coulomb interaction term (Hubbard U) can result in a ground state that is antiferromagnetic (AFM). We believe that this weak AFM ground state is the closest to the real paramagnetic state. We found that structure optimization at finite temperatures using AIMD is necessary to achieve this ground state instead of the non-magnetic and ferromagnetic states previously reported in the literature. Our findings indicate that applying the Hubbard U on uranium f-orbitals in this metallic system is unnecessary and not recommended, as it leads to a large overestimation of the volume and introduces an unphysical strong spin polarization. Finally, our approach results in atomic volume, thermal expansion, and heat capacities that have strong agreement with experiments.

36 MATERIALS SCIENCE↗
NASA NTRS1999

A Reconnaissance of the 900-1200 A Spectra of Early O Stars in the Magellanic Clouds

Far-UV spectrograms of ten very hot stars in the Magellanic Clouds were obtained with the Hopkins Ultraviolet Telescope during the Astro-2 mission in March 1995. Very few normal OB stars were observed during Astro-1, and the only significant prior sample of such objects in this wavelength range was that obtained by Copernicus of stars near the Sun. The Magellanic Cloud sample offers the advantages of low reddening, a range in metallicity, and more extreme temperatures and luminosities than represented in the near solar neighborhood. Several interesting phenomena were found in the HUT MC sample, including very strong O VI wind profiles in O3 spectra; anomalous CNO wind features corresponding to abundances altered by stellar nucleosynthesis; weak wind features due to the metal deficiency of the Small Magellanic Cloud; and interstellar molecular hydrogen features originating in the MCs. The results were presented and discussed as a small atlas, and they were shown at the Pittsburgh AAS meeting in June 1995. A correlative atlas of Copernicus data was also prepared and published under the auspices of this grant. These publications will serve as resources for the characterization of the FUSE observations of related objects to hopefully be obtained soon. I believe that the large differences among the strong wind features in the HUT data, corresponding to CNO and systemic metallicity effects, are amenable to some relative quantitative analysis, and I shall endeavor to promote such in conjunction with HST data at longer wavelengths for the same stars (which has also not yet been completely analyzed) at a future opportunity.

Walborn, Nolan↗
DOE OSTI2021

Herschel Photometric Observations of Little Things Dwarf Galaxies

We present here far-infrared photometry of galaxies in a sample that is relatively unexplored at these wavelengths: low-metallicity dwarf galaxies with moderate star formation rates. Four dwarf irregular galaxies from the Little Things survey are considered, with deep Herschel PACS and SPIRE observations at 100, 160, 250, 350, and 500 μm. Results from modified blackbody fits indicate that these galaxies have low dust masses and cooler dust temperatures than more actively star-forming dwarfs, occupying the lowest L {sub TIR} and M {sub dust} regimes seen among these samples. Dust-to-gas mass ratios of ∼10{sup −5} are lower, overall, than in more massive and active galaxies but are roughly consistent with the broken power-law relation between the dust-to-gas ratio and metallicity found for other low-metallicity systems. Chemical evolution modeling suggests that these dwarf galaxies are likely forming very little dust via stars or grain growth and have very high dust destruction rates.

47 OTHER INSTRUMENTATION↗
NASA NTRS1985

Decomposition of ethylene on small Pd particles

New results have been obtained which contribute to the understanding of hydrocarbon reactions on the surface of highly dispersed metal systems. Small particle of Pd were grown by electron beam evaporation on cleavage planes of high purity natural mica under ultrahigh vacuum conditions. Samples were subsequently characterized by transmission electron microscopy. Average particle sizes ranged from about 1 to 10 nm diameter. The chemisoption and decomposition of C2H4 on the Pd particles was studied using Auger electron spectroscopy and flash thermal desorption. It is shown that (a) C2H4 decomposes on Pd particles at room temperature, (b) specific surface sites are causing decomposition, and (c) the proportion of such active sites is significantly greater for the smaller metal particles. This enhanced reactivity may be due to an increase in the density of step, corner, and edge sites with a decrease in particle size.

Durrer, W. G.↗
DOE OSTI2025

Design and Analysis of a Mutual Inductance Level Sensor for Liquid Metals

Here, this article describes the design and analysis of an electromagnetic level sensor for use in high-temperature liquid metal systems. The mutual inductance level sensor (MILS) described in this work was fabricated using two single-conductor mineral insulated cables wrapped in a bifilar fashion around a stainless steel tube core and was housed in an isolating thimble that preserved the pressure boundary of the test vessel. Two sensor variations were fabricated that differ only in active length, 1016 and 1778 mm. Experimental data were collected using the 1016-mm sensor (MILS-MKII-040) that demonstrated a sensitivity of 9.2 μ V/mm in a room temperature testing stand that used solid aluminum as a surrogate for liquid metal. Experimental data were collected using the 1778-mm sensor (MILS-MKII-070) that demonstrated a sensitivity of 6.9 μ V/mm in the high-temperature (300 ° C) liquid sodium environment at the mechanisms engineering test loop (METL) of Argonne National Laboratory. The sensor performance was found to be repeatable over the course of several months, with roughly ±1% deviation from nominal output. Finite element models were developed in COMSOL Multiphysics that fully describe each test setup, and the models were validated using experimental data. The validated COMSOL models were used to perform an array of analyses that examined the performance of the sensor in differing environments. Maximizing the coil diameter inside the isolating thimble was found to maximize the signal and sensitivity of the sensor. An optimal operating frequency was found near 1000 Hz using both experimental data and COMSOL. The influence of a metallic thimble surrounding the sensor and a metallic sensor core was quantified and found to be negligible at the optimal operating frequency. The sensitivity of the sensor was quantified when monitoring the level of additional liquid metals. These include lead, lead-bismuth eutectic (LBE), sodium-potassium alloy (NaK), and lithium (in addition to sodium). The sensitivities were quantified using liquid metal properties at 350 ° C and 650 ° C. The geometry of the test stand model, all material properties used in the model, and the results are presented in a manner that allows the reader can replicate the model and perform additional analyses.

COMSOL↗
NASA NTRSDate not supplied

An Open-Source Numerical Model for Mitigating Refractory Alloy Hot Cracking Susceptibility

Refractory alloys are susceptible to solidification cracking during welding and 3D printing. Composition control is an effective method of controlling solidification cracking. This work evaluates the effect of compositional variation in refractory metal systems on a computed solidification cracking susceptibility. A numerical model has been developed using Python code and open-source CALPHAD software to calculate Kou’s crack susceptibility index. The model is validated against past weldability studies performed on several refractory alloy systems. The approach is extended towards the development of new alloys with improved 3D printability and weldability and is shown to have utility in defining compositional limits for existing alloys and feedstocks. Furthermore, the model will aid in determining process controls for powder reuse and recycling.

pycalphad↗
NASA NTRS1984

Electrical research on solar cells and photovoltaic materials

The flat-plate solar cell array program which increases the service lifetime of the photovoltaic modules used for terrestrial energy applications is discussed. The current-voltage response characteristics of the solar cells encapsulated in the modules degrade with service time and this degradation places a limitation on the useful lifetime of the modules. The most desirable flat-plate array system involves solar cells consisting of highly polarizable materials with similar electrochemical potentials where the cells are encapsulated in polymers in which ionic concentrations and mobilities are negligibly small. Another possible mechanism limiting the service lifetime of the photovoltaic modules is the gradual loss of the electrical insulation characteristics of the polymer pottant due to water absorption or due to polymer degradation from light or heat effects. The mechanical properties of various polymer pottant materials and of electrochemical corrosion mechanisms in solar cell material are as follows: (1) electrical and ionic resistivity; (2) water absorption kinetics and water solubility limits; and (3) corrosion characterization of various metallization systems used in solar cell construction.

Orehotsky, J.↗
NASA NTRS2001

Development of Low-Noise High Value Chromium Silicide Resistors for Cryogenic Detector Applications

Extremely high sensitivity detectors, such as silicon bolometers are required in many NASA missions for detection of photons from the x-ray to the far infrared regions. Typically, these detectors are cooled to well below the liquid helium (LHe) temperature (4.2 K) to achieve the maximum detection performance. As photoconductors, they are generally operated with a load resistor and a pre-set bias voltage, which is then coupled to the input gate of a source-follower Field Effect Transistor (FET) circuit. It is imperative that the detector system signal to noise performance be limited by the noise of the detector and not by the noise of the external components. The load resistor value is selected to optimize the detector performance. These two criteria tend to be contradictory in that these detectors require load resistors in the hundreds of megaohms, which leads to a higher Johnson noise. Additionally, the physical size of the resistor must be small for device integration as required by such missions as the NASA High Resolution Airborne Wide-Band Camera (HAWC) instrument and the Submillimeter High Angular Resolution Camera (SHARC) for the Caltech Submillimeter Observatory (CSO). We have designed, fabricated and characterized thin film resistors using a CrSi/TiW/Al metal system on optical quality quartz substrates. The resistor values range from 100 megaohms to over 650 megaohms and are Johnson noise limited at LHe temperatures. The resistor film is sputtered with a sheet resistance ranging from 300 ohms to 1600 ohms and the processing sequence developed for these devices allows for chemically fine tuning the sheet resistance in-situ. The wafer fabrication process was of sufficiently high yield (>80%) providing clusters of good resistors for integrated multiple detector channels, a very important feature in the assembly of these two instruments.

Jhabvala, Murzy↗
DOE OSTI2021

Resonant Inelastic X-ray Scattering Calculations of Transition Metal Complexes Within a Simplified Time-Dependent Density Functional Theory Framework

We present a time-dependent density functional theory (TDDFT) approach to compute the light-matter couplings between two different manifolds of excited states relative to a common ground state in the context of 4d transition metal systems. These quantities are the necessary ingredients to solve the Kramers-Heisenberg (KH) equation for resonant inelastic X-ray scattering (RIXS) and several other types of two-photon spectroscopies. The procedure is based on the pseudo-wavefunction approach, where the solutions of a TDDFT calculation can be used to construct excited-state wave- functions, and on the restricted energy window approach, where a manifold of excited states can be rigorously defined based on the energies of the occupied molecular orbitals involved in the excitation process. Thus, the present approach bypasses the need to solve the costly TDDFT quadratic-response equations. We illustrate the applicability of the method to 4d transition metal molecular complexes by calculating the 2p4d RIXS maps of three representative ruthenium complexes and comparing them to experimental results. The method can capture all the experimental features in all three complexes to allow the assignment of the experimental peaks, and relative energies correct to within 0.6 eV at the cost of two independent TDDFT calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗