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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Microstructure analysis and machinability of additively manufactured A205 aluminum with heat treatments

A205 aluminum is one of the few high-strength aluminum alloys discovered for additive manufacturing (AM). The microstructure and heat treatment effects of AM A205 vary from those of its cast form, indicating possible differences in machinability during post-processing. Here, the objective of this research is to determine these variations of AM A205 and their effects on machinability using the cast condition as the baseline. As built and two heat-treated conditions (solution treatment and age hardening) were applied and compared in terms of their microstructures, micro-hardness, and machinability including vibration, specific cutting energy, chip morphology, and surface finish. The effects of print orientations on machinability were tested as well and found to be insignificant. AM as built had a higher hardness and slightly better machinability than its cast as built cast counterpart due to a smaller grain size (1 µm vs. 15 µm), eutectic θ-Al 2 Cu lattice and a fine, homogeneous TiB 2 distribution. The solution treatment dissolved this θ-Al 2 Cu lattice and increased the grain size (3 µm) which decreased the hardness, increased the ductility seen in the chips, and reduced the overall machinability. The presence of θ’-Al 2 Cu precipitates improved the machinability of aged AM A205. In addition, it was found that A205 exhibited both ductile and brittle behavior depending on the cutting speed, thus producing different machinability. The speed dependency is related to the material condition and heat treatment.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Real-Time Time-Dependent Nuclear–Electronic Orbital Approach: Dynamics beyond the Born–Oppenheimer Approximation

The quantum mechanical treatment of both electrons and nuclei is crucial in nona- diabatic dynamical processes such as proton-coupled electron transfer. The nuclear electronic orbital (NEO) method provides an elegant framework for including nuclear quantum effects beyond the Born-Oppenheimer approximation. To enable the study of nonequilibrium properties, we derive and implement a real-time NEO (RT-NEO) approach based on time-dependent Hatree-Fock or density functional theory, in which both the electronic and nuclear degrees of freedom are propagated in a time-dependent variational framework. Nuclear and electronic spectral features can be resolved from the time-dependent dipole moment computed using the RT-NEO method. The test cases demonstrate the dynamical interplay between the quantum nuclei and the electrons through vibronic coupling. Moreover, vibrational excitation in the RT-NEO approach is demonstrated by applying a resonant driving eld, and electronic excitation is demonstrated by simulating excited state intramolecular proton transfer. This work shows that the RT-NEO approach is a promising tool to study nonadiabatic quantum dynamical processes within a time-dependent variational description for the coupled electronic and nuclear degrees of freedom.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Assessing the Long-Term Stability of Anion Exchange Membranes for Electrochemical CO 2 Reduction

Materials and cell components used in CO 2 electrolysis have largely been adapted from technologies initially developed for water electrolysis and fuel cells. However, electrochemical CO 2 reduction introduces distinct material challenges due to the unique chemical environment in this process. Here, in this study, we conducted ex-situ 1000 h stability tests on commonly used anion exchange membranes, exposing them exclusively to electrolytes and organic molecules used or produced during CO 2 electrolysis, at concentrations relevant to and compatible with postseparation processes. Notably, 15% w/w n-propanol and 5 M acetic acid caused complete dissolution or partial disintegration of the membranes unless cross-linking was present and remained stable throughout the test. When the membranes stayed physically intact, most of them exhibited excellent chemical stability in alkaline medium containing alcohols or formic acid, which was confirmed by vibrational spectroscopy and ion exchange capacity measurements. However, exposure to alcohol-and acid-containing solutions led to a substantial increase in swelling and water uptake, with potential implications for mechanical stability, ion/product crossover, and compression management of adjacent components. The potential effects of CO 2 electroreduction products on membrane stability, their subsequent impact on electrolyzer performance, and mitigation strategies are discussed.

CO2RR↗
DOE OSTI2025

Control of microphonics for a superconducting radio-frequency photo-injector cryomodule

A superconducting radio-frequency photo-injector cryomodule is being developed for the high-energy upgrade of the Linac Coherent Light Source (LCLS-II-HE). This effort is a collaboration between the Facility for Rare Isotope Beams at Michigan State University (MSU), Argonne National Laboratory, Helmholtz-Zentrum Dresden-Rossendorf, and SLAC National Accelerator Laboratory. The cryomodule features a 185.7 MHz superconducting quarter-wave resonator (QWR) designed to operate with an RF electric field of 30 MV/m at the photo-cathode. Mechanical vibrations must be controlled for operation with stable amplitude and phase. The first prototype cryomodule was cold-tested at MSU with a QWR, fundamental power coupler, tuner, and cathode stalk. In the cold test, we observed microphonics that made it difficult to control the RF phase at high gradient. The cryogenic circuit was identified as a likely culprit. This paper presents our studies of microphonics during the cryomodule cold test and follow-up investigations at room temperature. Our findings provided valuable feedback for modifications to the cryogenic circuit and a successful second cold test of the cryomodule.

Accelerator Physics↗
DOE OSTI2021

Multiplexable intrinsic Fabry-Pérot interferometers inscribed by femtosecond laser for vibration measurement in high temperature environments

This article reports fabrication technique and demodulation algorithm developments to use multiplexable intrinsic Fabry-Pérot interferometer (IFPI) fiber sensor array for distributed vibration measurements at high temperatures. Using femtosecond laser direct writing scheme, IFPI array were fabricated through laser-induced Type II scattering points in single mode fiber cores. Reflection spectra of IFPI array were demodulated in real-time using modified Bunemen frequency analysis. The demodulation algorithm, which was implemented using a photodetector-array spectrometer, achieves 64-nε dynamic strain resolution at 1-kHz spectral acquisition rate and 2-kHz maximum vibration bandwidth. Performance and stabilities of IFPI sensor array were characterized from room temperatures to 800 °C. The static strain resolution was 0.6 με and the minimum detectable dynamic strain amplitude was 23 nε/√Hz at 800 °C. The multiplex performance was also tested by measuring dynamic strain in time domain through six IFPI sensor array fabricated in one fiber. This paper presents an integrated and low-cost sensing solution to perform distributed vibration measurements in harsh environments.

42 ENGINEERING↗
DOE OSTI2020

Analysis of spent nuclear fuel multipurpose canister dynamics during rail transportation

The primary mode of spent nuclear fuel transportation within the United States will be by railcar. One such system is the Atlas railcar, which is designed to transport 17 different spent nuclear fuel cask systems, including bare fuel systems and canister fuel systems. In the latter configuration, multipurpose canisters containing spent nuclear fuel may be placed within an overpack for storage, or within a cask for transportation. Compared to bare fuel systems, canister fuel systems have additional degrees of freedom for motion during transportation, because clearance between the cask and canister allows for some motion of the canister to occur relative to the cask. This work investigates the effect of canister motion on the shock and vibration imparted to the spent nuclear fuel within. Structural dynamic analyses have been conducted to identify the effects of canister to cask clearance, presence and type of dunnage, and loading direction and frequency. This modeling study calculates anticipated cask motion, canister motion, and spent nuclear fuel structural dynamic response to normal conditions of transportation railcar motion using finite element analysis methods that were developed to model the rail segment of the ENSA/DOE (Equipos Nucleares S.A., U.S. Department of Energy) multimodal transportation test of 2017.

SNF, UNF, LS-DYNA, dynamics, kinematics, shock, vi↗
DOE OSTI2023

Energy Efficiency Improvement Approaches in Ice Related Processes

A detailed survey of ice mold and evaporator metal surfaces, physical structures, operational conditions, materials of construction, design of different equipment was reviewed and analyzed. A reliable test methodology was developed to measure the ice adhesion strength of different materials and geometries identified. The developed test setup was successfully employed in measuring the ice adhesion strength on both tubular and planar substrate geometries of metals including copper, aluminum, stainless steel. Application of advanced polymer materials in lowering the adhesion strength of ice was confirmed where the measured strength was lowered by 50-70% depending on the material and geometry. Additionally, utilization of induced ultrasonic vibration in further lowering the ice harvesting energy was confirmed on multiple materials and geometries. Durability of the coating enhancement was also confirmed in a thermal cycling test under realistic operating conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Autonomous Sensor System for Wind Turbine Blade Collision Detection

This paper presents an automated blade collision detection system for use on wind turbines, toward the goal of supporting monitoring and quantitative assessment of wind energy impacts on wildlife. A wireless, multisensor module mounted at the blade root measures surface vibrations, and a blade-mounted camera provides image capture of colliding objects. Using sensor data recorded during field testing of the system on an operational wind turbine, we present the development, training, and testing of automated detection algorithms for collision detection using machine-learning approaches. In particular, we compare the use of a new two-step, anomaly-based classification algorithm with conventional adaptive boosting and amplitude-based detection techniques, where the two-step approach improves average precision for the experimental data set. This integrated sensor and classification systems demonstrates a new approach for automated, on-blade collision detection for wind turbines, with broad utility across structural health monitoring applications.

17 WIND ENERGY↗
DOE OSTI2022

Extracting single fiber transverse and shear moduli from off-axis misalignment fiber tensile testing

Small diameter (<100 μm) fibers (e.g. carbon fibers, Kevlar, and fiberglass) and wires (e.g. ultrafine copper and aluminum wires) are frequently used in many different engineering applications, such as for light weighting structures, electromagnetic shielding for aircraft/infrastructure/EVs, vibration damping, biological sensors, aerospace electrical devices, and electric windings just to name a few. Due to the manufacturing process, the fibers and wires are pulled and stretched to produce a preferential alignment. Therefore, thin fibers and wires typically display different properties along the length of the fiber as opposed to their cross section and many fibers/wires are considered transversely isotropic. The axial properties of fibers/wires can be ascertained via tensile testing of single-filaments or fiber tows, but the radial properties require much more effort to measure. Knowing these properties is important for the accurate prediction of micromechanical models and manipulation of fibers during micromanufacturing. In this paper, a new technique was developed to determine the transverse/shear moduli and strength of a material by conducting tensile tests of the material at increasing misalignment angles from the tensile axis. Due to the transversely isotropic nature of the material, the transverse/shear moduli and strength influence the experimental results recorded by the test machine to different degrees based on the amount of misalignment in the test setup. An equation was derived to determine the influence of each of the material properties based on the misalignment angle by manipulating the stiffness matrix for transversely isotropic materials using the transformation matrices. Then, curve fitted coefficients were used to identify the material properties. Here, the strengths were similarly determined by curve fitting an off-axis Tsai-Hill failure criteria to determine the influence of transverse, shear, and tensile strengths based on the complex loading condition provided by the off-axis tensile test. Zoltek Panex 35 carbon fibers were used to demonstrate this new technique and the determined properties were then compared to those obtained from nanoindentation and from literature. Fracture surfaces provide insight into the different failure mechanisms at various misalignment angles.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Stress analysis using direct-S wavelets produced by a vertical vibrator

We have determined how to extract the azimuth of maximum horizontal stress (SHmax) in deep rocks by doing a simple 360° mathematical rotation of a downgoing direct-S wavelet generated at the baseplate of a surface-based vertical vibrator. We worked with direct-S wavelets that travel through stressed rocks to a deep horizontal vertical seismic profile (VSP) geophone. We find that the azimuth where a polarity reversal occurs in mathematical rotations of this downgoing direct-S wavelet defines the azimuth of the SHmax in the overlying rocks. We tested this direct-S wavelet rotation method for determining the SHmax azimuth at a site in the Illinois Basin using legacy VSP data acquired in 2013. SHmax azimuths indicated by this simple wavelet-rotation method were determined when vertical vibrators were stationed at zero offset, at far offset, and at different azimuths around a VSP receiver well. These VSP-based SHmax azimuths agreed with the azimuth of the SHmax found by traditional minifrac tests in the VSP receiver well. This simple VSP data analysis procedure for detecting the azimuth of maximum horizontal stress has never, to our knowledge, been reported or discussed in the geophysical literature. This technical finding should be of interest to the worldwide geophysical community, especially to people who need to monitor how stress fields shift when fluids are injected into, or extracted from, deep porous reservoirs.

Geochemistry & Geophysics↗
DOE OSTI2023

Vibrational heat-bath configuration interaction with semistochastic perturbation theory using harmonic oscillator or VSCF modals

Vibrational heat-bath configuration interaction (VHCI)—a selected configuration interaction technique for vibrational structure theory—has recently been developed in two independent works [J. H. Fetherolf and T. C. Berkelbach, J. Chem. Phys. 154, 074104 (2021); A. U. Bhatty and K. R. Brorsen, Mol. Phys. 119, e1936250 (2021)], where it was shown to provide accuracy on par with the most accurate vibrational structure methods with a low computational cost. Here, we eliminate the memory bottleneck of the second-order perturbation theory correction using the same (semi)stochastic approach developed previously for electronic structure theory. This allows us to treat, in an unbiased manner, much larger perturbative spaces, which are necessary for high accuracy in large systems. Stochastic errors are easily controlled to be less than 1 cm−1. We also report two other developments: (i) we propose a new heat-bath criterion and an associated exact implicit sorting algorithm for potential energy surfaces expressible as a sum of products of one-dimensional potentials; (ii) we formulate VHCI to use a vibrational self-consistent field (VSCF) reference, as opposed to the harmonic oscillator reference configuration used in previous reports. Our tests are done with quartic and sextic force fields, for which we find that with VSCF, the minor improvements to accuracy are outweighed by the higher computational cost associated the matrix element evaluations. We expect VSCF-based VHCI to be important for more general potential representations, for which the harmonic oscillator basis function integrals are no longer analytic.

Chemistry↗
DOE OSTI2022

Ni-H-Beta Catalysts for Ethylene Oligomerization: Impact of Parent Cation on Ni Loading, Speciation, and Siting

Ni-H-Beta catalysts for ethylene oligomerization (EO) were prepared by ion exchange of NH 4 -Beta and H-Beta zeolites with aqueous Ni(NO 3 ) 2 and characterized by H 2 -temperature-programmed reduction (TPR), NH 3 -temperature-programmed desorption (TPD), and diffuse-reflectance infrared Fourier-transform spectroscopy (DRIFTS). Quadruple exchange of NH 4 -Beta at 70 °C resulted in 2.5 wt.% Ni loading corresponding to a Ni 2+ /framework aluminum (FAl) molar ratio of 0.52. [NiOH] + and H + are the primary charge-compensating cations in the uncalcined catalyst, as evidenced by TPR and DRIFTS. Subsequent calcination at 550 °C in air yielded a Ni-H-Beta catalyst containing primarily bare Ni 2+ ions bonded to framework oxygens. Quadruple exchange of H-Beta at 70 °C gave 2.0 wt.% Ni loading (Ni 2+ /FAl = 0.41). After calcination at 550 °C, the resulting Ni-H-Beta catalyst comprises a mixture of bare Ni 2+ ions: [NiOH] + and NiO species. The relative abundance of [NiOH] + increases with the number of exchanges. In situ pretreatment at 500 °C in flowing He converted the [NiOH] + species to bare Ni 2+ ions via dehydration. The bare Ni 2+ ions interact strongly with the Beta framework as evidenced by a perturbed antisymmetric T-O-T vibration at 945 cm -1 . DRIFT spectra of CO adsorbed at 20 °C indicate that the Ni 2+ ions occupy two distinct exchange positions. The results of EO testing at 225 °C and 11 bar (ethylene) suggested that the specific Ni 2+ species initially presented (e.g., bare Ni 2+ , [NiOH] + ) did not significantly affect the catalytic performance.

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

A simple generalization of the energy gap law for nonradiative processes

For more than 50 years, an elegant energy gap (EG) law developed by Englman and Jortner [Mol. Phys. 18, 145 (1970)] has served as a key theory to understand and model the nearly exponential dependence of nonradiative transition rates on the difference of energy between the initial and final states. This work revisits the theory, clarifies the key assumptions involved in the rate expression, and provides a generalization for the cases where the effects of temperature dependence and low-frequency modes cannot be ignored. For a specific example where the low-frequency vibrational and/or solvation responses can be modeled as an Ohmic spectral density, a simple generalization of the EG law is provided. Test calculations demonstrate that this generalized EG law brings significant improvement over the original EG law. Both the original and generalized EG laws are also compared with the stationary phase approximations developed for electron transfer theory, which suggests the possibility of a simple interpolation formula valid for any value of EG.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Raman Spectroscopy Characterization of Nuclear Materials and Soot from High Explosives

Vibrational and luminescence spectroscopy were used in the investigation of U and Pu-bearing compounds and soot from high explosives testing. Key spectroscopic signatures of UF4 and its hydrates, PuO 2 , and soot from different explosives will be presented. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this work, or allow others to do so, for United States Government purposes.

Villa-Aleman, Eliel↗
DOE OSTI2024

Testing of Helium-Cooled Metal Molybdenum Disk Target

NorthStar Medical Radioisotopes LLC is planning to produce an important medical radioisotope, molybdenum-99 (Mo-99), through photonuclear reaction on molybdenum-100 (Mo-100). In this approach, molybdenum metal will be bombarded with a 40-MeV electron beam. Because enriched Mo-100 is expensive, it is desired to use as much beam power as possible to achieve maximum production yield and minimize target mass. This objective leads to very high beam power density (heat deposition in the target), which sets challenging requirements for cooling. Together with scientists at Los Alamos National Laboratory, a team at Argonne National Laboratory has developed and demonstrated a cooling approach using pressurized helium, which allows for efficient heat removal. One of the main challenges in this approach is the management of the heat load on the target window. The target window separates the high-pressure helium inside the target from the vacuum in the beamline, so it is constantly under stress from differential pressure. Also, the window is cooled only by the helium gas flowing on one side, making the window cooling even more challenging. High heat deposition in the target disks also imposes a strict requirement on performance of the helium cooling system and thickness of the target disks. The target disks are produced from metal powder via a press-and-sinter process. The resulting disks do not possess tensile strength as high as solid molybdenum and might not survive the vibration from the high-velocity helium coolant and high thermal stress from beam heating. An Argonne team of scientists performed a series of tests at Argonne’s Low Energy Accelerator Facility (LEAF) [3-7]. This report describes two series of tests for scale down production target designs that utilize full-scale 29 millimeters diameter, 0.75 mm thick press-and-sintered disks. We performed two thermal tests with different beam parameters and configurations of the disk laminations. We compared the results of the window temperature measurements and cooling system parameters obtained in the experiments with those predicted by analytical calculations and Computation Flow Dynamic (CFD) simulations. Results of the experiments and calculations are presented below.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Heterogeneous System for Eagle Detection, Deterrent, and Wildlife Collision Detection for Wind Turbines (Final Technical Report)

This report summarizes the design, implementation, and test of an integrated system for automated detection and deterrence of eagles, with included wind turbine blade strike detection and imaging functionality. A machine learning approach was used in conjunction with a 360° camera system for automated detection and classification of golden eagles. This was developed using footage obtained from trained golden eagles and other raptors, in collaboration with wildlife biologists and professional bird handlers. Oregon State University developed a visual deterrent system, which uses inflatable anthropomorphic sculptures with random, kinetic motion to deter eagles, and conducted limited field testing on live eagles; the deterrent can be triggered by the visual detection of eagles using the vision system. Finally, a multi-sensor module was developed that is mounted at the turbine blade root. This module measures vibration and other motions to detect blade strikes, and an integrated on-blade camera captures an image of any impacting objects. Long-term, this blade strike detection system is intended to support an automatic monitoring and certification system for the eagle detection and deterent system. Independent field testing of each system component is described. Testing of the integrated system on an operational wind turbine was conducted across three separate field tests. This includes multi-day fields tests on a General Electric 1.5MW wind turbine at the National Renewable Energy Laboratory (NREL) National Wind Technology Center (NWTC) in Boulder, CO in October 2018 and July 2019; installation procedures, test procedures, and a summary of collected data are presented. A third multi-day on-turbine field test is also presented, which was performed using a General Electric 1.5MW wind turbine at the North American Wind Research and Training Center (NAWRTC) at Mesalands Community College, Tucumcari, NM in April 2019. Across these field tests, the vision system was demonstrated using unmanned aerial vehicles (UAV), and the eagle classification algorithm was not tested; the visual deterrent system was demonstrated, including automatic, remote deployment following surrogate visual detections; and, multi-sensor on-blade data was recorded across multiple wind turbine operational conditions and through more than 100 surrogate blade strikes using soft projectiles, including the successful demonstration of automatic image capture of striking objects. This data set was also used for offline development and validation of enhanced collision detection algorithms. As summarized in this report, the development and field validation of an integrated detection, deterrent, and blade collision detection system represents a critical proof of concept for future technology development of related detection and deterrent technologies, where both deterrent as well as collision detection recording devices are needed for future siting, monitoring, and operation of wind turbine installations, both onshore and offshore.

17 WIND ENERGY↗
DOE OSTI2024

Thermal conductance of interfaces between titanium nitride and group IV semiconductors at high temperatures

Measuring the temperature dependence of material properties is a standard method for better understanding the microscopic origins for that property. Surprisingly, only a few experimental studies of thermal boundary conductance at high temperatures exist. This lack of high temperature data makes it difficult to evaluate competing theories for how inelastic processes contribute to thermal conductance. To address this, we report time domain thermoreflectance measurements of the thermal boundary conductance for TiN on diamond, silicon-carbide, silicon, and germanium between 120 and 1000 K. In all systems, the interface conductance increases monotonically without stagnating at higher temperatures. For TiN/SiC interfaces, G ranges from 330 to 1000 MW/m2-K, with a room temperature conductance of 750 MW/m2-K. The interface conductance for TiN/diamond ranges from 140 to 950 MW/m2-K. Notably, for all four interfacial systems, the conductance continues to increase with temperature even after all phonon modes in the vibrationally soft material are thermally excited. This observation suggests that inelastic processes are significant contributors to the thermal conductance in all four interfacial systems, regardless of whether the materials forming the interface are vibrationally similar or dissimilar. Our study fills a notable gap in the literature for how interfacial conductance evolves at high temperatures and tests burgeoning theories for the role of inelastic processes in interfacial thermal transport.

Physics↗
DOE OSTI2024

Scalable Enrichment of 48 Ca at the Solid/liquid Interface by Chemical and Electrochemical Methods

This award targets to develop methods to enrich 48 Ca, which is a critical isotope for synthesizing superheavy elements and testing the standard model through neutrinoless double beta decay. The team first tested chemical exchange-based separation between solids and liquids, which is based on the free energy change due to the different vibrational frequencies caused by Ca isotopes in a material. However, the separation factor (alpha), which is defined as the ratio of 40 Ca/ 48 Ca ratios in the two phases, only reach ~1.01. The team then developed liquid centrifugation-based isotope separation, where a Ca salt aqueous solution is centrifuged at a speed of ~60 kRPM, and 48 Ca is enriched at the bottom of a centrifuge tube due to its larger mass. A high α of ~1.2-1.4 is achieved for 40 Ca/ 48 Ca at 40 °C. This method is further approved to be generic for any isotope that can be dissolved in a liquid solution or form liquid chemicals near room temperature. The experimental results also align well with modeling prediction. The team further develop a model to evaluate isotope separation in countercurrent liquid centrifugation. The team found that the countercurrent configuration can also enhance isotope separation in liquids, similar with gas centrifugation, which boost separation for isotopes which are difficult to be gasified near room temperature.

07 ISOTOPE AND RADIATION SOURCES↗