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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 OSTI2022

Hypothesis-Agnostic Network-Based Analysis of Real-World Data Suggests Ondansetron is Associated with Lower COVID-19 Any Cause Mortality

Background: The COVID-19 pandemic generated a massive amount of clinical data, which potentially hold yet undiscovered answers related to COVID-19 morbidity, mortality, long-term effects, and therapeutic solutions.Objectives: The objectives of this study were (1) to identify novel predictors of COVID-19 any cause mortality by employing artificial intelligence analytics on real-world data through a hypothesis-agnostic approach and (2) to determine if these effects are maintained after adjusting for potential confounders and to what degree they are moderated by other variables.Methods: A Bayesian statistics-based artificial intelligence data analytics tool (bAIcis®) within the Interrogative Biology® platform was used for Bayesian network learning and hypothesis generation to analyze 16,277 PCR+ patients from a database of 279,281 inpatients and outpatients tested for SARS-CoV-2 infection by antigen, antibody, or PCR methods during the first pandemic year in Central Florida. This approach generated Bayesian networks that enabled unbiased identification of significant predictors of any cause mortality for specific COVID-19 patient populations. These findings were further analyzed by logistic regression, regression by least absolute shrinkage and selection operator, and bootstrapping.Results: We found that in the COVID-19 PCR+ patient cohort, early use of the antiemetic agent ondansetron was associated with decreased any cause mortality 30 days post-PCR+ testing in mechanically ventilated patients.Conclusions: The results demonstrate how a real-world COVID-19-focused data analysis using artificial intelligence can generate unexpected yet valid insights that could possibly support clinical decision making and minimize the future loss of lives and resources.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Microstructural modification of additively manufactured metals by electropulsing

Additive manufacturing (AM) promises rapid development cycles and fabrication of ready-to-use, geometrically-complex parts. The metallic parts produced by AM often contain highly non-equilibrium microstructures, e.g. chemical microsegregation and residual dislocation networks. While such microstructures can enhance some material properties, they are often undesirable. Many AM parts are thus heat-treated after fabrication, a process that significantly slows production. This study investigated if electropulsing, the process of sending high-current-density electrical pulses through a metallic part, could be used to modify the microstructures of AM 316 L stainless steel (SS) and AlSi10Mg parts fabricated by selective laser melting (SLM) more rapidly than thermal annealing. Electropulsing has shown promise as a rapid postprocessing method for materials fabricated using conventional methods, e.g. casting and rolling, but has never been applied to AM materials. For both the materials used in this study, as-fabricated SLM parts contained significant chemical heterogeneity, either chemical microsegregation (316 L SS) or a cellular interdendritic phase (AlSi10Mg). In both cases, annealing times on the order of hours at high homologous temperatures are necessary for homogenization. Using electropulsing, chemical microsegregation was eliminated in 316 L SS samples after 10, 16 ms electrical pulses. In AlSi10Mg parts, electropulsing produced spheroidized Si-rich particles after as few as 15, 16 ms electrical pulses with a corresponding increase in ductility. Finally, this study demonstrated that electropulsing can be used to modify the microstructures of AM metals.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Synthesis of Hf 6 Ta 2 O 17 superstructure via spark plasma sintering for improved oxidation resistance of multi-component ultra-high temperature ceramics

Ultra-high temperature ceramics (UHTCs) have shown aspiration to overcome challenges in the thermal protection system (TPS) by designing new materials referred to as multi-component UHTCs (MC-UHTCs) in the compositional space. MC-UHTCs have shown remarkable improvement in oxidation resistance due to the formation of the Hf6Ta2O17 superstructure during plasma exposure. Herein, the Hf 6 Ta 2 O 17 superstructure is synthesized via a solid-state reaction between HfO 2 and Ta 2 O 5 powder mixtures during spark plasma sintering (SPS). The compositions chosen are 50 vol% of HfO 2 -50 vol% of Ta 2 O 5 (50HO-50TO) and 70 vol% of HfO 2 -30 vol% of Ta 2 O 5 (70HO-30TO). The phase quantification via Rietveld analysis showed Hf 6 Ta 2 O 17 as a principal phase with some residual Ta 2 O 5 phase in both the samples. The high-temperature thermal stability of the samples was evaluated using high-velocity plasma jet exposure for up to 3 min. 50HO-50TO was able to withstand the intense plasma condition, which is attributed to the higher content of the Hf 6 Ta 2 O 17 phase (~84%) and lower strain in the Ta 2 O 5 phase. The augmentation in the Hf 6 Ta 2 O 17 phase to 94.7% (in 50HO-50TO) post plasma exposure has been attributed to the invariant transformation from a liquid state to Hf 6 Ta 2 O 17 at temperatures >2500 °C during testing. The mechanical integrity is elucidated from the insignificant change in the hardness ~13.3 GPa before and 11.2 GPa after plasma exposure of the 50HO-50TO sample. As a result, the Hf 6 Ta 2 O 17 superstructure's thermo-mechanical stability suggests developing novel oxidation-resistant MC-UHTCs in compositional space for reusable space vehicle applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Melt extruded versus extrusion compression molded glass-polypropylene long fiber thermoplastic composites

Long fiber thermoplastic (LFT) composites are processed either with extrusion compression or fiber injection processes. The properties of LFT materials are highly influenced by processing techniques, which lead to different porosity contents, fiber length distributions, and fiber orientation distributions. It is important to understand the various LFT processing techniques and their effects on mechanical, thermal, and microscopic properties. This work considered LFT sheets processed via extrusion, which offers highly aligned fibers (referred to as “Tecnogor composites”), and LFT composites produced via extrusion compression molding (ECM), which offers a random distribution of fibers. Tecnogor composites exhibited higher flexural strength (35–65%), flexural modulus (132–172%), tensile strength (39–52%), tensile modulus (67–75%), and Izod impact resistance (195–220%) than the random LFT composites. This response was attributed to the aligned fibers in Tecnogor composites. Mathematical models including Halpin-Tsai and Lavengood-Goettler were used to predict and compare the Young’s modulus of Tecnogor and ECM composites, respectively.

mechanical testing↗
DOE OSTI2021

Effects of fiber dosage, loading orientation and stress on frequency response of enhanced Carbon Nano-Fiber Aggregates

Nanomaterial additives have been broadly used in cement and concrete-based sensors to measure the stress and strain in the structure. Most of the studies focused on measuring the resistivity of sensors with Direct Current (DC) or relatively low-frequency. Here in this work, the impedance responses of enhanced Carbon Nano-Fiber Aggregates (CNFAs) at different frequencies are rigorously studied and utilized as a tool for real-time structural health monitoring (SHM). The CNFA impedance measurements at different measurement frequencies provide an extra dimension (frequency dimension) to allow the characterization of different phenomena and multimodal measurements simultaneously. First, a comprehensive physical model is established to understand the frequency responses of the CNFA impedance. Second, COMSOL Multiphysics is used to simulate the frequency responses of the CNFA impedance, which provides more insights into the electric field and current density distribution. The impedance of CNFAs decreased with the increased dosage of carbon nanofibers (CNFs). Third, experimental studies are reported in detail. The electrical impedance variation (EZV) of the CNFA in parallel orientation is 151% higher than that of perpendicular orientation at the frequency of 2612 Hz and uniaxial compression stress of 4.65 MPa. The strain-EZV curve obtained from the response spectrum is linear for frequencies ranging from 98 Hz to 463.9 kHz. The strain-EZV curve for 5625 Hz has a linear fit with the gauge factor of 147.78. At 1000 Hz, the CNFA exhibited a repeatable behavior up to 9.35 MPa and detection limit up to the stress of 18.62 MPa.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Self-healing carbon fiber/epoxy laminates with particulate interlayers of a low-melting-point alloy

In order to prolong the service life of fiber-reinforced polymer composites, the implementation of self-healing ability with the micro-encapsulated healing agent has been extensively studied. However, such microcapsule-based self-healing composites typically suffer from degraded mechanical properties due to the liquid-phase inclusions, thereby limiting their proliferation. Here, in this study, a low-melting-point alloy is utilized as the particulate inclusions of carbon fiber/epoxy laminated composites. Field's Metal particles (melting point: 62 °C) are distributed between woven carbon fiber preforms followed by the resin impregnation to realize laminated composites with a Field's Metal-enhanced interlayer(s). The resulting laminated composites demonstrate the autonomic repair of interlaminar failure with a 40 % of healing efficiency. Most of all, the mechanical properties of these self-healing laminated composites are comparable to the conventional laminated composites attributed to the rigid inclusions that can be compressed to increase the fiber volume. Since the Field's Metal particle inclusions can bestow polymer composites with self-healing ability and the potential increase in mechanical properties, Field's Metal-enhanced fiber-reinforced polymer composites are expected to unlock the practical utility of self-healing composites.

A. polymer-matrix composites (PMCs)↗
DOE OSTI2023

High strain rate nanoindentation testing: Recent advancements, challenges and opportunities

Recent advancements in electronics have renewed the interest in high strain rate nanoindentation testing, resulting in the development of new high strain rate nanoindentation test equipment and test methodologies. Here, in this work, the current state-of-the-art in high strain rate nanoindentation testing is critically reviewed, with focus on three key aspects - the testing equipment's dynamic mechanical and electronic response, test methodology, and post-processing of raw data to obtain hardness and strain rate. The challenges in instrument hardware design and post-test data analysis are discussed, along with optimal strain rate window for accurate high strain rate measurements. Specific focus will be on instrumented high strain rate testing using self-similar indenters at strain rates in excess of 100 s -1 , wherein load and depth of penetration into the sample are both measured or applied.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Irradiation hardening and ductility loss of Eurofer97 steel variants after neutron irradiation to ITER-TBM relevant conditions

Ten Eurofer97 steel variants, produced by non-standard fabrication-processing routes and modified alloying chemistries, were studied by neutron irradiations in the high flux isotope reactor. The irradiations were performed to ITER-TBM relevant conditions of ~255–350 °C, 2.94–3.24 dpa. We quantified the irradiation-induced degradation of the steels using mechanical property tests. All the steels suffered from irradiation hardening, where a significant increase in Vickers microhardness and yield stress (σ YS ) occurred, accompanied with severe loss of tensile elongation. The extent of hardening was material dependent. For T irr = 300±30 °C, most steels showed σ YS increase in the range of ~30% to as high as ~66%, except for a low temperature tempered steel with σYS increase below 15%. Despite large losses in elongation, most failures were ductile. Significant post-necking ductility was retained with reduction in area (RA) between 65–75%, but <50% for low temperature tempered steels. The ultimate tensile stress to yield stress (σ UTS /σ YS ) ratios decreased significantly after irradiation, highlighting irradiation-induced strain hardening capacity reduction. No major effect of irradiation on the plastic instability stress (σ PIS ) and true fracture stress of the steels was observed. By comparing the tensile stresses in true stress units and with literature, the results suggest that RAFM steel designing should target materials with a large separation between σ PIS and σ YS , to ensure the materials can maintain large work hardening and uniform deformation capability after irradiation. The tensile data of the steels additionally revealed a compelling evidence of an inverse trend between the change in RA and increase in σ YS of the neutron irradiated Eurofer97 type steels.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In situ observation of the deformation and fracture of an alumina-alumina ceramic-matrix composite at elevated temperature using x-ray computed tomography

The deformation and fracture of a 0/90° Nextel 720 mullite fibre / alumina matrix ceramic-matrix composite material has been observed by in situ synchrotron x-ray computed micro-tomography at ambient temperature and at 1100 °C. A three-point loading configuration was used and samples were loaded monotonically until final fracture. Here, the flexural strength was found to be unaffected by temperature. 3D visualisation of the microstructure showed fracture occurred by propagation of internal cracks at stresses close to the flexural strength. Shear fractures propagated across fibre bundles that were oriented perpendicular to the flexural stress at both room temperature and 1100 °C. At the higher temperature, an additional failure mode of delamination was observed, that may arise from relaxation of thermal residual stresses and creep.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Design, performance, and cost savings of using GF-PC additively manufactured tooling for stamping of HSS 590 sheet metal

Conventional sheet metal forming tooling in the automotive industry is made up of hardened steel and used for mass-production. Prototype tooling made of metal is durable, but it is only used for a small number of parts despite its high cost, contributing heavily to the vehicle development cost. Additive Manufacturing (AM) offers a low-cost alternative for fabricating tooling suitable for low-volume production. Here, this study investigates the feasibility of using AM polymer composite tooling for the stamping of 1.5mm thickness HSS 590 steel sheets through a two-pronged approach – experimental and numerical analysis. Sheet metal stamping experiments were conducted with glass fiber reinforced polycarbonate (GF-PC) AM polymer tooling and their performance was evaluated based on various metrics such as tool deformation and part accuracy. Finite element simulations of the stamping process were performed, which accurately captured the tool deformations seen in experiments with the use of anisotropic material models. The effective use of simulations in optimizing process parameters to achieve the desired final part geometry is also demonstrated. The GF-PC AM polymer composite tooling was found to be well suited for low volume production applications with potential cost savings.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Serrated flow in $\mathrm{NaI:Tl}$ scintillator crystals

We report the serrated-flow behavior is an important phenomenon that unveils material-deformation mechanisms, as reported for various kinds of materials. NaI doped with Tl (NaI:Tl) is unique among scintillation materials in that the structure contains glide planes that are linked to serration behavior. In the present work, single crystals of NaI:Tl were subjected to room-temperature compression experiments at different strain rates. The serrated flow was observed, and complexity and multifractal analyses were performed to analyze the serration behavior. The findings revealed that the strain rate had a pronounced effect on the complexity and multifractality of the serrated flow, similar to what has been found in other alloy systems. The results also indicate that there may be a strong link between the complexity of the serrated flow behavior and the heterogeneity of the underlying dynamics. It is expected that the present work could be a step toward a better understanding of the deformation behavior and forgeability of NaI:Tl single crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Increased damping through captured powder in additive manufacturing

This paper describes the retention of metal powder within additively manufactured structures to achieve increased damping. In this work, solid and hollow (powder filled) aluminum cylinders were fabricated in using laser powder bed fusion where the internal, captured powder in the hollow cylinders served as an energy dissipation mechanism. Impact testing was completed to compare the frequency response functions of three cylinder geometries: one solid cross-section and two hollow cross-sections with different inner diameters and, therefore, different powder volumes. Increased damping with larger inner diameter was observed. The damping was quantified using a structural damping model.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Amorphous complexions alter the tensile failure of nanocrystalline Cu-Zr alloys

Grain boundary-based mechanisms are known to control the plastic deformation and failure of nanocrystalline metals, with manipulation of the boundary structure a promising path for tuning this response. In this study, the role of interfacial structural disorder on plasticity and failure of nanocrystalline Cu-Zr alloys is investigated with in situ scanning electron microscopy tensile deformation experiments. Two model materials are created, one with only the typical ordered grain boundaries and another with amorphous intergranular films interspersed into the boundary network, while the microstructures are otherwise identical. Hence, the importance of complexion type on plasticity and failure is isolated by only varying complexion structure. Here, the tensile experiments show that failure of the samples containing amorphous films is significantly retarded, as evidenced by an increase in the cross-sectional area reduction, a decrease in the occurrence of shear-dominated failure, a decrease in strain localization, and fracture surfaces with more elongated dimple features. As a whole, this study provides direct evidence that structural disorder at the grain boundaries can be beneficial for improving the ductility of nanocrystalline metals.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Bismuth-Polyoxocation Coordination Networks: Controlling Nuclearity and Dimension-Dependent Photocatalysis

Bismuth-oxocluster nodes for metal–organic frameworks (MOFs) and coordination networks/polymers are less prolific than other families featuring zinc, zirconium, titanium, lanthanides, etc. However, Bi 3+ is non-toxic, it readily forms polyoxocations, and its oxides are exploited in photocatalysis. This family of compounds provides opportunity in medicinal and energy applications. Here, we show that Bi node nuclearity depends on solvent polarity, leading to a family of Bi x -sulfonate/carboxylate coordination networks with x = 1–38. Larger nuclearity-node networks were obtained from polar and strongly coordinating solvents, and we attribute the solvent’s ability to stabilize larger species in solution. Here, the strong role of the solvent and the lesser role of the linker in defining node topologies differ from other MOF syntheses, and this is due to the Bi 3+ intrinsic lone pair that leads to weak node–linker interactions. We describe this family by single-crystal X-ray diffraction (eleven structures), obtained in pure forms and high yields. Ditopic linkers include NDS (1,5-naphthalenedisulfonate), DDBS (2,2'-[biphenyl-4,4'-diylchethane-2,1-diyl] dibenzenesulphonate), and NH 2 -benzendicarboxylate (BDC). While the BDC and NDS linkers yield more open-framework topologies that resemble those obtained by carboxylate linkers, topologies with DDBS linkers appear to be in part driven by association between DDBS molecules. An in situ small-angle X-ray scattering study of Bi 38 -DDBS reveals stepwise formation, including Bi 38 -assembly, pre-organization in solution, followed by crystallization, confirming the less important role of the linker. We demonstrate photocatalytic hydrogen (H 2 ) generation with select members of the synthesized materials without the benefit of a co-catalyst. Band gap determination from X-ray photoelectron spectroscopy (XPS) and UV–vis data suggest the DDBS linker effectively absorbs in the visible range with ligand-to-Bi-node charge transfer. In addition, materials containing more Bi (larger Bi 38 -nodes or Bi 6 inorganic chains) exhibit strong UV absorption, also contributing to effective photocatalysis by a different mechanism. All tested materials became black with extensive UV–vis exposure, and XPS, transmission electron microscopy, and X-ray scattering of the black Bi 38 -framework suggest that Bi o is formed in situ, without phase segregation. This evolution leads to enhanced photocatalytic performance, perhaps due to increased light absorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Optical control of ultrafast structural dynamics in a fluorescent protein

The photoisomerization reaction of a fluorescent protein chromophore occurs on the ultrafast timescale. The structural dynamics that result from femtosecond optical excitation have contributions from vibrational and electronic processes and from reaction dynamics that involve the crossing through a conical intersection. The creation and progression of the ultrafast structural dynamics strongly depends on optical and molecular parameters. When using X-ray crystallography as a probe of ultrafast dynamics, the origin of the observed nuclear motions is not known. Now, high-resolution pump–probe X-ray crystallography reveals complex sub-ångström, ultrafast motions and hydrogen-bonding rearrangements in the active site of a fluorescent protein. However, we demonstrate that the measured motions are not part of the photoisomerization reaction but instead arise from impulsively driven coherent vibrational processes in the electronic ground state. A coherent-control experiment using a two-colour and two-pulse optical excitation strongly amplifies the X-ray crystallographic difference density, while it fully depletes the photoisomerization process. A coherent control mechanism was tested and confirmed the wave packets assignment.

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

Quantitative assessment of Ni + and He + ion irradiation damage in a tungsten heavy alloy under the simulated nuclear fusion environment

A 90W-7Ni-3Fe (wt.%) tungsten heavy alloy has been sequentially Ni + and He + ion irradiated at 700 °C to simulate the high temperature irradiation environment of a fusion reactor interior. W/Ni–Fe-W dual-phase alloys have been proposed to serve as plasma facing materials and require detailed investigation of their behavior under fusion relevant conditions to assess their overall applicability. To evaluate material performance under five years of simulated fusion reactor service, microstructural characterization of the nanoscale defect distribution has been performed on both constituent phases, revealing peak swelling in the W phase of approximately 0.03%. The γ-phase (Ni–Fe-W) is found to swell approximately 0.68% under the same irradiation conditions, indicating significant cavity formation and growth. Additionally, a novel multi-projection imaging approach has been applied to determine the extent of damage segregation along the dual-phase W-to-γ interface and exposes that these interfaces act as sink sites for the accumulation of cavities. Interphase boundaries are noted to possess an 11.8% areal coverage of defects along the boundary plane, primarily on the γ-phase side of the boundary. The accumulation of cavities at these interphase boundaries is anticipated to adversely affect overall material toughness, and this work reveals a pressing need for mechanical property testing of irradiated W–Ni-Fe dual-phase alloys.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Quantum and anharmonic effects in non-adiabatic transition state theory

Quantitative descriptions of non-adiabatic transition rates at intermediate temperatures are challenging due to the simultaneous importance of quantum and anharmonic effects. Here, in this paper, the interplay between quantum effects—for motion across or along the seam of crossing—and anharmonicity in the seam potential is considered within the weak coupling limit. The well-known expression for quantized 1-D motion across the seam (i.e., tunneling) in the linear terms approximation is derived in the thermal domain using the Lagrangian formalism, which is then applied to the case when tunneling is distributed along the seam of crossing (treating motion along the seam classically). For high-frequency quantum modes, a vibrationally adiabatic (VA) approach is developed that introduces to the non-adiabatic rate constant a factor associated with high-frequency wavefunction overlap; this approach treats the high-frequency motion along the seam quantum mechanically. To test these methodologies, the reaction N 2 O ↔ N 2 + O( 3 P) was chosen. CCSD(T)-F12b/cc-pVTZ-F12 explorations of the 3 A'- 1 A' seam of N 2 O revealed that seam anharmonicity has a strong effect on the rate constant (a factor of ~20 at 2000 K). Several quantum effects were found to be significant at intermediate/lower temperatures, including the quantum N–N vibration that was coupled with seam anharmonicity using the VA approach. Finally, a 1-D approximation to non-adiabatic instanton theory is presented to estimate the validity limit of the linear terms model at low temperatures (⁠~ 250 K for N 2 O). We recommend that the assumptions built into many statistical theories for non-adiabatic reactions—harmonic behavior, classical motion, linear terms, and weak coupling—should be verified on a case-by-case basis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Reviving sub-keV warm dark matter: a UVLF-based analysis

Thermal warm dark matter (WDM) particles with m WDM ≤ 1 keV are ruled out at more than 4σ by multiple observational probes, owing to the strong suppression of small-scale structure induced by early-time free-streaming. Recently, it was highlighted that a small admixture of ∼ 1% (f CDM ∼ 0.01) cold dark matter (CDM) endowed with a blue-tilted isocurvature spectrum could offset the WDM-induced suppression and relax the WDM mass bound by a factor of 𝒪(10). If viable, this “warm + cold-isocurvature” scenario would allow sub-keV WDM particles to constitute nearly the full dark matter abundance while potentially alleviating some small-scale tensions. In this work, we test this mechanism by constraining the WDM mass mWDM while marginalizing over CDM isocurvature parameters. We combine ultraviolet luminosity function measurements from the Hubble Space Telescope and James Webb Space Telescope over redshift 4 ≤ z ≤ 11 with CMB, BAO, and SNe data. For a pure WDM model, our joint analysis yields a lower bound m WDM > 1.8 keV (95% credible intervals). When CDM isocurvature is introduced at f CDM = 0.01, the limit relaxes to m WDM > 0.27 keV (95% credible intervals), reflecting a shallow degeneracy in which blue-tilted isocurvature fluctuations partially compensate for WDM suppression. These results provide new constraints on thermal WDM in the presence of CDM isocurvature fluctuations and quantify the extent to which such fluctuations can mask the small-scale signatures of light relics.

cosmological parameters from CMBR↗