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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Analysis of Coronado State Historic Site artifacts using X-rays

Two historic-period metal artifacts were provided by the New Mexico Historic Sites to Los Alamos National Laboratory for non-destructive analysis. The artifacts were a crossbow quarrel (or bolthead) and a reliquary pendant recovered from Kuaua Pueblo (also known as the Coronado Historic Site) in Bernalillo, NM. The quarrel is a heavily patinated metal that had been flattened due to compressive forces. The pendant consisted of a metal casing that had previously surrounded two center gemstones on the front and rear face of the pendant. The gemstone in the rear setting had fractured and was displaced from the setting, leaving only a small, loose fragment within the pendant for study. The front gem appeared to be very dark, near-black in color, and the fragment of the rear gem was a bright red color. The artifacts were analyzed to ascertain their composition and glean insight into their provenance using the following X-ray techniques: X-ray computed tomography, confocal micro X-ray fluorescence, and X-ray diffraction. Infrared spectroscopy and electron microscopy were used on selected areas. Ultraviolet Raman spectra were collected on the two gems and the pendant. The metal material of the artifacts was found to be primarily composed of copper. The gems in the pendant were composed of manganese (front gem) and calcium (side gem).

36 MATERIALS SCIENCE↗
DOE OSTI2022

Neural-network learning of SPOD latent dynamics

Here, we aim to reconstruct the latent space dynamics of high dimensional, quasi-stationary systems using model order reduction via the spectral proper orthogonal decomposition (SPOD). The proposed method is based on three fundamental steps: in the first, once that the mean flow field has been subtracted from the realizations (also referred to as snapshots), we compress the data from a high-dimensional representation to a lower dimensional one by constructing the SPOD latent space; in the second, we build the time-dependent coefficients by projecting the snapshots containing the fluctuations onto the SPOD basis and we learn their evolution in time with the aid of recurrent neural networks; in the third, we reconstruct the high-dimensional data from the learnt lower -dimensional representation. The proposed method is demonstrated on two different test cases, namely, a compressible jet flow, and a geophysical problem known as the Madden-Julian Oscillation. An extensive comparison between SPOD and the equivalent POD-based counterpart is provided and differences between the two approaches are highlighted. The numerical results suggest that the proposed model is able to provide low rank predictions of complex statistically stationary data and to provide insights into the evolution of phenomena characterized by specific range of frequencies. The comparison between POD and SPOD surrogate strategies highlights the need for further work on the characterization of the interplay of error between data reduction techniques and neural network forecasts.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Hierarchical microstructures and deformation behavior of laser direct-metal-deposited Cu–Fe alloys

Cu25Fe75 and Cu50Fe50 (nominal composition, at. %) alloys were fabricated using laser direct metal deposition (DMD) based additive manufacturing technique. These alloys exhibit hierarchical microstructures with bi-phasic Cu and Fe dendrites that contain nanoscale precipitates of varying sizes and structures. In the Cu25Fe75 alloy, Fe dendrites contained nanoscale, coherent, metastable BCC Cu and semi-coherent FCC Cu precipitates while the Cu matrix had nanoscale, coherent, metastable FCC Fe precipitates. In the Cu50Fe50 alloy, Fe dendrites only contained nanoscale semi-coherent FCC Cu precipitates while the Cu matrix had nanoscale coherent metastable FCC Fe precipitates. Both alloys exhibited enhanced flow strengths in the range of 750 – 980 MPa and significant plasticity, in compression. Here, the Cu25Fe75 alloy had lower yield strength than Cu50Fe50 alloy but higher maximum compressive strength due to higher strain hardening resulting from slightly coarser dendrites with hierarchy of nanoscale precipitation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Using Strain in the Vadose Zone During Sinusoidal-Rate Well Tests to Characterize an Aquifer

Well tests with sinusoidal variation in pumping rate are appealing because of the ability to filter competing signals and they also can be set up with no net removal of water, which is an advantage at contaminated sites. Current methods of interpreting sinusoidal-rate well tests analyze the phase lag and amplitude of pressure signals in the aquifer. This approach is restricted by the availability of monitoring wells. An alternative approach could be to measure the stain in the vadose zone instead of pressure in the aquifer. The goal of this research is to evaluate the feasibility of using signals from in-situ sensors in the vadose zone to characterize sinusoidal-rate well tests. Well tests with a variety of periods and amplitudes were performed using a well completed in an unconfined saprolite aquifer with a water table at 9m depth at our test site near Clemson, South Carolina. Vertical strain was measured every meter between 1 to 7 m using a distributed optical fiber sensing technique called coherence length gated microwave photonics interferometry (CMPI). A novel packaging system was designed to couple the optical fiber to the saprolite. The results show that strain measured in the vadose zone during sinusoidal-rate pumping varies periodically with amplitudes from 0.1 to 3 microstrain, depending on the amplitude of the sinusoidal pumping rate. Hydraulic heads at similar radial distances were also periodic with changing amplitudes ranging up to ±0.2 meters. The strain in the vadose zone responds to pressure in the underlying aquifer—the strain is tensile when the pressure is falling, and compressive when the pressure is rising. The phase lag between the pumping rate and the strain was 3 min with a pumping period of 15 minutes, and this gives a hydraulic diffusivity of 0.06 m2/s. This is the same diffusivity obtained by analyzing a constant rate pumping test, and it is slightly larger than the diffusivity (0.044 m2/s) obtained by analyzing the phase lag of the pressure in a nearby monitoring well. Strain measurements in the vadose zone could be made with much less cost and effort than installing a deep monitoring well. These results suggest that strain measurements in the vadose zone could be used to supplement monitoring wells, thereby increasing the resolution, and reducing costs of analyzing well tests.

well test, sinusoidal, periodic pumping, strain↗
DOE OSTI2025

Pressure-induced structural phase transitions in CrSBr

There is growing interest in combining chemical complexity with external stimuli like pressure, field, and light for property control in van der Waals solids. This is because extreme conditions trigger the development of new states of matter and functionality. In this work, we bring together synchrotron-based infrared absorption, Raman scattering, and diamond anvil cell techniques with first-principles calculations of the lattice dynamics and energy landscape to reveal the series of structural phase transitions in CrSBr. By tracking how the phonons change under pressure, we uncover a remarkable chain of complex symmetry modifications, interlayer interactions, and chemical reactions. A group-subgroup analysis suggests that CrSBr undergoes an orthorhombic Pmmn → monoclinic P2/m transition at 7.6 GPa, and based upon a comparison with model oxychlorides like FeOCl and CrOCl, we propose that changes in the pendant halide groups drive the system to a P2 1 /m-like space group above 15.3 GPa. Compression above 20.2 GPa is irreversible, resulting in the formation of an entirely new compound that is metastable for months. This work opens the door to the use of pressure and possibly strain to control the properties of CrSBr.

Microscopy↗
DOE OSTI2024

Exceptional electronic transport and quantum oscillations in thin bismuth crystals grown inside van der Waals materials

Confining materials to two-dimensional forms changes the behaviour of the electrons and enables the creation of new devices. However, most materials are challenging to produce as uniform, thin crystals. Here we present a synthesis approach where thin crystals are grown in a nanoscale mould defined by atomically flat van der Waals (vdW) materials. Here, by heating and compressing bismuth in a vdW mould made of hexagonal boron nitride, we grow ultraflat bismuth crystals less than 10 nm thick. Due to quantum confinement, the bismuth bulk states are gapped, isolating intrinsic Rashba surface states for transport studies. The vdW-moulded bismuth shows exceptional electronic transport, enabling the observation of Shubnikov–de Haas quantum oscillations originating from the (111) surface state Landau levels. By measuring the gate-dependent magnetoresistance, we observe multi-carrier quantum oscillations and Landau level splitting, with features originating from both the top and bottom surfaces. Our vdW mould growth technique establishes a platform for electronic studies and control of bismuth’s Rashba surface states and topological boundary modes1,2,3. Beyond bismuth, the vdW-moulding approach provides a low-cost way to synthesize ultrathin crystals and directly integrate them into a vdW heterostructure.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Additive manufacturing of AISI M2 tool steel by binder jetting (BJ): Investigation of microstructural and mechanical properties

The presented research demonstrates for the first time the successful processing of AISI M2 tool steel by binder jetting, a promising additive manufacturing technique capable of producing complex shapes with minimal residual stresses and isotropic properties. The optimal printing parameters were explored by varying processing parameters such as the binder saturation (45 %–105 %), binder set time (0 to 10 s), targeted bed temperature (50–60 °C), oscillator (2600–2750 rpm), recoater (20–28 mm/s), and roller speeds (200–300 rpm). Microstructural characterization and evaluation of mechanical properties of binder jetted parts were performed using x-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS) to study their chemical composition, powder morphology, microstructure, carbide morphologies, relative density, hardness, compressive strength, and ductility. Two powder sizes (5 and 10 μm) were used, and sintering was performed at varying temperatures (1270, 1280, and 1300 °C) and durations (60 and 120 min), followed by a furnace, air, and water cooling. An optimum hardness of ~970 HV was obtained when parts were sintered at 1270 °C for 60 min, followed by water quenching. Impressive compressive strength of ~ 3580 MPa was observed in the sample sintered at 1280 °C for 60 min duration, followed by air cooling. Furnace-cooled parts showed the highest density of ~95 %, whereas the relative density of air- and water-cooled parts varied between ~91 to 93.50 %, respectively. The microstructure of sintered samples revealed the formation of M 6 C stable carbide, M 2 C metastable carbide, MC as a secondary carbide, and a-Fe matrix, which contributed to the observed increase in mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Feasibility of an Accelerometer-Based Structural Health Monitoring System for the LANL Blast Tube

A modeling- and simulation-based study was conducted on the feasibility of implementing an accelerometer-based SHM system on the Los Alamos National Laboratory blast tube. A blast tube experiment was modeled using the Abaqus explicit finite element solver. A custom user subroutine was written to apply test-like pressure loading to the inside surface of the blast tube. The subroutine applies analytically defined pressure loads derived from tracer output taken from a Compressible Flow Computational Fluid Dynamics Solver model of the blast tube. Five unique versions of the model were created: an undamaged reference model at 65°F was used as the baseline and compared to equivalent models at 10°F and 100°F. These three models were compared to models with small damage at the reference temperature. The two types of damage considered were a radial (circumferential) crack in the main tube body and a longitudinal crack in the supports. Acceleration outputs were extracted from accelerometer bodies included in the model and were post processed using a variety of standard SHM techniques. Different potential features signaling failure were extracted and compared using statistical methods in the time and frequency domains. A method was identified that clearly shows that differences in structural response resulting from the modeled damage can be differentiated from the structural response resulting from changing environmental conditions. However, the amount of damage applied to create observable differences in the accelerometer data was so large that simpler methods of damage detection would be more cost effective in locating damage.

42 ENGINEERING↗
DOE OSTI2023

Direct prediction of inelastic neutron scattering spectra from the crystal structure*

Abstract Inelastic neutron scattering (INS) is a powerful technique to study vibrational dynamics of materials with several unique advantages. However, analysis and interpretation of INS spectra often require advanced modeling that needs specialized computing resources and relevant expertise. This difficulty is compounded by the limited experimental resources available to perform INS measurements. In this work, we develop a machine-learning based predictive framework which is capable of directly predicting both one-dimensional INS spectra and two-dimensional INS spectra with additional momentum resolution. By integrating symmetry-aware neural networks with autoencoders, and using a large scale synthetic INS database, high-dimensional spectral data are compressed into a latent-space representation, and a high-quality spectra prediction is achieved by using only atomic coordinates as input. Our work offers an efficient approach to predict complex multi-dimensional neutron spectra directly from simple input; it allows for improved efficiency in using the limited INS measurement resources, and sheds light on building structure-property relationships in a variety of on-the-fly experimental data analysis scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Strain-Dependent Surface Defect Equilibria of Mixed Ionic-Electronic Conducting Perovskites

We report understanding the surface defect chemistry and its strain dependency is essential in developing next-generation electrochemical devices. However, due to their nanoscale dimensions, surface defects cannot be accessed by conventional techniques used in bulk defect studies. Here, we constructed the strain-dependent surface defect equilibria (i.e., the Brouwer diagram) of mixed ionic-electronic conducting perovskite oxides with near ambient pressure X-ray absorption spectroscopy. Using coherently strained thin-film La 0.6 Sr 0.4 Fe O3 (LSF) as model systems, we probed their surface defect equilibria at 400 °C in oxygen partial pressures between 1 to 10 -5 Torr. We found that the electron holes on the LSF surfaces have strong oxygen character, regardless of the strain states. Nevertheless, tensile strain makes the LSF surface more reducible than the compressed counterpart. These two observations were then validated using first-principles calculations. Finally, with the aid of thermodynamic analyses, we showed that the strain-dependent surface defect equilibria of LSF can be captured by bulk-like ideal solution defect models with shifted oxygen chemical potentials. The findings and methodology presented in this study enable quantitative determination of the surface defect chemistry, which is crucial to understanding and designing functional surfaces for efficient conversions of energy and fuels.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A mesoscale 3D model of irradiated concrete informed via a 2.5 U-Net semantic segmentation

The concrete biological shield in light-water reactors is exposed to neutron and gamma irradiation, which deteriorates the concrete’s mechanical properties in the long term. To assess the irradiation-induced damage, predictive mechanical models are developed and used in parallel with the characterization of irradiated concrete samples. Realistic 3D simulation domains can drastically improve a model’s prediction. In this work, we utilized x-ray computed tomography (XCT) data of a concrete specimen to reconstruct its 3D microstructure. The XCT data shows low contrast between the concrete’s aggregates and cement paste, resulting in poor image segmentation when using traditional unsupervised techniques. To address this issue, we developed and trained a 2.5D U-Net model on only 24 pre-labeled XCT layers to segment 651 layers of the XCT data. The overall F1-score of the model is approximately 96%. Then, we created a 3D finite element (FE) mesh based on the stack of segmented images. The FE model contains radiation-induced expansion, damage, and creep. The constitutive equations are adapted to each phase (aggregates and cement paste). Here, we simulated the effects of neutron irradiation in the concrete specimen as well as the specimen’s mechanical response to uniaxial compression. Finally, model validation was performed using experimental data on similar concrete specimens in the literature.

2.5D U-Net↗
DOE OSTI2025

A critical review of electrochemical heat pump technologies: Status, challenges, and perspectives

The development of advanced heat pump technologies is critical for reducing global energy consumption in the building sector, where space heating and cooling account for nearly 50% of energy use. Electrochemical heat pumps (EHPs) offer a promising alternative to vapor compression systems by enabling direct electrochemical-to-thermal energy conversion, often with environmentally benign working fluids that exhibit low or zero global warming potential (GWP). Prior literature has predominantly focused on chemically reactive heat pumps, while comprehensive assessments of electrochemical mechanisms remain limited. Here, this review addresses this gap by systematically evaluating the underlying principles, architectures, and performance metrics of EHP systems. Compared to conventional vapor compression systems, EHPs can achieve 10%-30% higher energy efficiency, with reported cooling coefficients of performance (COP c ) ranging from 3.5 to 14.3 under standard operating conditions. Despite these advantages, widespread adoption is hindered by challenges including membrane degradation, electrode fouling, sluggish redox kinetics, and elevated system-level capital costs. To address these limitations, the review outlines three research priorities: (i) the development of advanced membranes, catalysts, and electrode materials with enhanced chemical and mechanical stability; (ii) the application of molecular-level simulations for the rational design of high-performance redox-active working fluids; and (iii) the integration of advanced diagnostic techniques for real-time monitoring and sustained operation of EHPs. By consolidating recent advances and explicitly identifying technological and scientific gaps, this work uniquely contributes a comprehensive framework for guiding future electrochemical heat pump research and facilitating the transition to sustainable thermal management technologies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

WIRE-21 Sensor Irradiation Experiment Ready for HFIR Insertion

The ability to deploy new nuclear fuels for current or future reactor concepts requires a wealth of data regarding fuel performance during normal operation, anticipated operational occurrences, and design-basis accidents. Most of these data have historically been collected during experiments in materials test reactors, ideally with online instrumentation to collect as much data as possible. However, advanced instrumentation could also allow for in situ monitoring of fuel operating conditions during commercial reactor operation to maximize fuel utilization, reduce unnecessary conservativism in design margins, and improve operator understanding of limiting peaking factors. The latter approach would complicate fuel handling, particularly during refueling, unless the instrumentation could be placed inside the fuel rods and transmitted wirelessly to a receiver located outside the fuel’s primary pressure boundary. To this end, Westinghouse Electric Company (WEC) developed wireless sensors based on inductive coupling that can transmit information regarding fuel centerline temperatures and rod internal pressures wirelessly from within a fuel rod to a nearby instrument thimble. After testing these sensors in lower-power university research reactors, the next step is to perform high neutron fluence testing to characterize the performance of these wireless sensors under conditions that are more representative of the intended application—in this case, light-water reactors (LWRs). The removable Be (RB) positions of the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL) provide the neutron flux, experiment volume, and access to instrument leads required to achieve these sensor testing goals. This report summarizes the design, analysis, and assembly of the Wireless Instrumented RB Experiment 2021 (WIRE-21). This is the most highly instrumented irradiation experiment ever performed in HFIR. The experiment will use seven different sensing techniques to measure temperature, pressure, neutron flux, and neutron fluence during reactor operation. In addition to WEC’s wireless temperature and pressure sensors, WIRE-21 includes an array of thermocouples, self-powered neutron detectors, spatially distributed fiber optic temperature sensors, passive SiC temperature monitors, and flux wires. The design of WIRE-21 and the cabling that was installed in HFIR also provide the infrastructure to enable accelerated, economical testing of advanced sensor technologies while leveraging the extremely high neutron flux that is available in HFIR. The containment for WIRE-21 is similar to previous RB irradiation vehicles but includes a few modifications, most notably the use of integrated compression seals to pass a larger number of sensor leads through the experiment’s pressure boundary. In addition to the sensor leads, inert gas lines are passed into the experiment to enable active temperature control and the ability to pneumatically actuate a bellows-driven pressure sensor. WIRE-21 is targeting component temperatures (300–350°C) and neutron fluence levels (~10 22 n/cm 2 ) that would be expected in the plenum region of LWR fuels, except for the active sensing region of the wireless temperature sensor, which is targeting LWR fuel centerline temperatures (~800–1,100°C). WIRE-21 was successfully assembled, passed all nondestructive examination, and was delivered to HFIR for insertion during upcoming cycle 498 (April 2022).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Development of low temperature fuel cell holders for Operando x-ray micro and nano computed tomography to visualize water distribution

Abstract Synchrotron x-ray imaging techniques, like x-ray computed tomography (CT) and radiography have proven instrumental in expanding the communities knowledge of complex transport and reaction kinetics in electrochemical devices such as fuel cells and electrolyzers. This work presents the development of novel x-ray CT imaging techniques for operando visualization of water within low temperature fuel cells at spatial resolutions spanning the micro and nano scales. The design of operando sample holders, for both micro x-ray CT and nano CT experiments is described in depth, and prototypes of these sample holders were evaluated across a set of requirements, the most important of which are x-ray transmissibility, electrical conductivity and mechanical stability. Water segmentation from micro x-ray CT data was enabled by an image subtraction method, where the image without water is subtracted from the one with water. Through iterative experimentations, the operando nano CT cell was developed to optimize mechanical compression, electric conductivity and gas flow. While three-dimensional fuel cell reconstructions were shown possible, there remain challenges to overcome at typical lower energies (8 keV) due to beam damage, whereas it is not as significant for higher energies (>17.5 keV).

Kulkarni, Devashish↗
DOE OSTI2025

Understanding and Estimating Error Propagation in Neural Networks for Scientific Data Analysis

Neural networks are increasingly integrated into scientific discovery, where input data reduction and model quantization play a key role in accelerating inference. However, understanding and mitigating the impact of these techniques on output error is critical for ensuring reliable results, particularly in tasks demanding high numerical precision. This paper introduces a comprehensive framework for optimizing neural network inference in scientific computing by combining data reduction and weight quantization while maintaining error-controlled outcomes. We develop theoretical analyses to bound error propagation under these reductions and propose a framework that balances computational performance with error constraints. Evaluation on real-world learning-based combustion simulations and satellite image classification demonstrates that our derived error bounds accurately predict observed errors while enabling significant computational speedup under our framework. This work highlights the potential for further leveraging advancements in modern lossy compression algorithms and hardware accelerators that support lower-precision formats.

He, Weiming [New Jersey Institute of Technology]↗
DOE OSTI2023

Simultaneous measurements of forward Thomson scattering and rotational Raman scattering in a weakly ionized plasma

This paper demonstrates a simultaneous Thomson scattering and rotational Raman scattering spectroscopy in a weakly ionized plasma in air. Thomson scattering was collected in the forward scattering direction, in order to compress the relative spectra width of Thomson scattering from the plasma. Simultaneous measurements of rotational Raman scattering were obtained in the same direction, which was not affected by the collection angles. The measurements thus yielded electron temperature (T e ) and electron number density (n e ) as well as gas temperature in a weakly ionized atmospheric pressure plasma. The separation of rotational Raman scattering and Thomson scattering occurred when the scattering angle decreased to 20 degrees in the plasma, where the air temperature was found to be 150 ± 25 °C, and electron temperature of the plasma was 0.587 ± 0.087 eV, and electron number density was (1.608 ± 0.416) × 1021 m-3. The technique could be used for various plasma and combustion diagnostics in realistic engineering environments.

He, Zichen (ORCID:0000000183159882)↗
DOE OSTI2022

PLA Renewable Bio Polymer Based Solid-State Gamma Radiation Detector-Dosimeter for Biomedical and Nuclear Industry Applications

Polylactic acid (PLA) as a “green,” renewable corn-soy based polymer resin was assessed as a novel solid-state detector for rapid-turnaround gamma radiation dosimetry in the 1–100 kGy range–of significant interest in biomedical and general nuclear industry applications. Co-60 was used as the source of gamma photons. It was found that PLA resin responds well in terms of rheology and porosity metrics with an absorbed gamma dose (Dg). In this work, rheological changes were ascertained via measuring the differential mass loss ratio (MLR) of irradiated PLA placed within PTFE-framed (40 mm × 20 mm × 0.77 mm) cavities bearing ~0.9 g of PLA resin and pressed for 12–16 min in a controlled force hot press under ~6.6 kN loading and platens heated to 227 °C for the low Dg range: 0–11 kGy; and to 193 °C for the extended Dg range: 11–120 kGy. MLR varied quadratically from 0.05 to ~0.2 (1σ ~ 0.007) in the 0–11 kGy experiments, and from 0.05 to ~0.5 (1σ ~0.01) in the 0–120 kGy experiments. Rheological changes from gamma irradiation were modeled and simultaneously correlated with void-pocket formations, which increase with Dg. A single PLA resin bead (~0.04 g) was compressed 5 min at 216 °C in 0–16 kGy experiments, and compressed 2 min at 232 °C in the 16–110 kGy experiments, to form sturdy ~100 µm thick wafers in the same press. Aggregate coupon porosity was then readily measurable with conventional optical microscope imaging and analyzed with standard image processing; this provided complementary data to MLR. Average porosity vs. dose varied quadratically from ~0 to ~15% in the 0–16 kGy range and from ~0 to ~18% over the 16–114 kGy range. These results provide evidence for utilizing “green”/renewable (under $0.01) PLA resin beads for rapid and accurate (+/-5–10%) gamma dosimetry over a wide 0–120 kGy range, using simple to deploy mass and void measuring techniques using common laboratory equipment.

61 RADIATION PROTECTION AND DOSIMETRY↗