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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Simulation of two nanoparticle melting to understand the conductivity drop of 3D-printed silver nanowires

The future flexible sensor technology will require low-temperature, fast processing 3D printing techniques that will rely heavily on the quality of nanoparticle (NP) Ink. Electrical conductivity has been found to decrease in majority of the 3D printed electronic wires. Herein we report a fundamental understanding in drop of electrical conductivity in processed silver (Ag) line wire, generally found in Ag-nanoparticle Ink, using large-scale atomistic molecular dynamics (MD) simulations of sintering of five different sizes of Ag NPs. To preserve the high conductivity of pure silver wires, the integrity of the pristine face-centered cubic (FCC) crystalline structure must be retained in the processed line wires. Simulations show that the pristine Ag FCC structures of the nanoparticles are not recovered after melting and resolidification, instead, the resolidified material is paracrystaline. The breakdown of pristine FCC structures might be the cause of the drop in conductivity of processed Ag wires. Simulation results suggest that the intermediate size nanoparticles retain highest percentage of the pristine silver face-centered cubic (FCC) structure after pulse treatments. Our results show that the most promising Ag-Ink should contain smaller to medium size silver NPs that can retain FCC structure after 3D printing of the Ag-Ink.

42 ENGINEERING↗
DOE OSTI2023

An investigation on the structural stability of $\mathrm{ZIF}$-8 in water versus water-derived oxidative species in aqueous environment

We report the zeolitic-imidazolate-framework-8 (ZIF-8) is one of the extensively studied metal-organic frameworks (MOF) materials because of its unique structure. For its potential applicability in numerous fields, it becomes crucial to have detailed studies on the structural stability of ZIF-8, especially in aqueous environments. A number of studies have been conducted to investigate the breakdown process of the ZIF-8 structure in water; which is known as the hydrolysis of ZIF-8. However, those studies reported different opposing experimental observations on the role of water on the structural stability of ZIF-8, which created obscurity in understanding this phenomenon. This study explored the effects of different water-derived species on the structural stability of ZIF-8; specifically, examined the effects of only water and water with different oxidative species that may be generated by water molecules' dissociation under external energy or catalyst presence. To this effort, we experimentally probed the physical and chemical structural changes of ZIF-8 in DI water and three different solutions of hydrogen peroxides (H 2 O 2 ); taking H 2 O 2 as the source of oxidative species. To assess the changes in elemental compositions, chemical bonds, functional groups, crystal structure, and morphology, all the samples were analyzed by X-ray photoelectron spectroscopy (XPS), energy-dispersive x-ray (EDX) spectroscopy, Fourier Transform Infrared (FTIR) spectroscope, X-ray diffractometer (XRD), and scanning electron microscope (SEM). Significant structural changes in ZIF-8 occurred mainly in the presence of oxidative species in water. Notably, oxidative species' concentration exceeding 1 M heightened the deformation of the ZIF-8 structure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Modeling aqueous association constants and mineral solubilities at subcritical and supercritical temperatures

The need for sustainable power generation has increased interest in the use of hydrothermal fluids for industrial applications. New high-enthalpy geothermal systems and biowaste-to-fuel processes are two relevant examples that employ supercritical fluids which require an in-depth understanding of complex chemical reactions occurring near the supercritical temperature of water (374 °C). As these processes operate in thermodynamic regimes that are not currently covered by a standard molar Gibbs energy of formation model, only empirical fits for single reaction systems are available which limit the use of multi-component phase equilibria calculations that are standard practice for less extreme environments. Here, in this paper, we advance a standard molar Gibbs energy of formation model able to operate in these otherwise inaccessible thermodynamic states to include species needed for key mineral solubility systems and ion association reactions. This work extends a model based on molecular statistical thermodynamics (MST) into four new systems (Na 3 PO 4 -H 2 O, LiOH-H 2 O, KOH-H 2 O, and BaSO 4 -H 2 O) by extending the model to cover 10 new species. For each of these systems, model predictions were consistently within the experimental uncertainties for the new systems covered. A breakdown of MST contributions to the model revealed that electrostatic and hard sphere contributions were key to reproducing density dependencies of standard molar Gibbs energy of formation values around the critical point of water.

42 ENGINEERING↗
DOE OSTI2022

Susceptibility weighted MRI pinpoints spontaneous intracerebral hemorrhage in stroke-prone spontaneously hypertensive rats

Purpose: To find magnetic resonance imaging (MRI) precursors of spontaneous intracerebral hemorrhage in stroke-prone spontaneously hypertensive rats (SHRSP). Method: SHRSP rats were used with both a low/high salt (n = 18 or 11) Japanese diet and salty drinking water to generate spontaneous intracerebral hemorrhage (ICH). Various MRI sequences, and in particular, susceptibility weighted imaging (SWI), were used and combined with a gadolinium (Gd) contrast agent or oxygen gas to identify the rupture of the blood brain barrier (BBB) and the temporal ICH. Results: Most rats developed hypertensive ICH stroke in the high salt group during the 10–13 week period compared to only one third of rats in the low salt group during the 14–18 week period. The location of stroke for both the low/high-salt groups was highest in the striatum (58%/43%), followed by the cortex (21%/30%). The edematous enhancement on T2 weighted (T2W) imaging or Gd based T1 weighted (Gd-T1W) imaging due to the ruptured BBB preceded the striatal hemorrhages seen on SWI. The most recent bleeds were observed on temporal SWI or on oxygen-enhanced SWI. The mode of the volume of bleeds was 0.4 mm 3 . A positive correlation between susceptibility x volume and R2* x volume of the bleeds was observed. Conclusions: SHRSP rats with the high salt diet effectively generated a hypertensive hemorrhagic stroke which could be monitored by various MRI sequences. The venous dilation on SWI may precede any abnormality on T2W or Gd-T1W imaging. The edematous enhancement on T2W or Gd-T1W indicated a BBB breakdown that may precede striatal ICH by several days. This suggests the need for immediate treatment to improve outcome if this finding is observed. Here, the use of oxygen with SWI was able to help differentiate old bleeds from very recent bleeds.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Effects of applied stress and grain size on creep-rupture lifetime prediction for Haynes 282 alloy

A multiple-heat set of tensile and creep-rupture data generated from a single laboratory was used to establish and evaluate predictive equations for the average creep-limited lifetime of an aged wrought Haynes 282 alloy using two different time- and temperature-compensated parametric models (those of Larson and Miller and Wilshire et al.). The range of temperatures and stresses used to produce the creep-rupture data used in the analyses revealed that two distinct regimes, above and below the proportional limit, were necessary for more accurate predictions of creep lifetimes over the range of conditions studied. Furthermore, a 2x difference in grain size amongst the three heats revealed a breakdown in the relationship between ultimate tensile strength and creep-rupture time, thus impacting the predictive ability of the Wilshire model. Finally, lifetime predictions based on the formulations from the respective models were compared to other available Haynes 282 datasets and found to reasonably replicate the experimental trends established in other studies.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Microstructural evolution and strengthening mechanisms in a heat-treated additively manufactured Al–Cu–Mn–Zr alloy

In this report the microstructural and strength evolution of an additively manufactured Al-8.6Cu-0.5Mn-0.9Zr alloy upon aging at 300, 350, and 400 °C is investigated. The strengthening phases of the alloy evolve significantly upon aging, with breakdown and spheroidization of the interconnected θ-Al 2 Cu network, dissolution of metastable θ'-Al 2 Cu precipitates, and precipitation of nanometric L1 2 -Al 3 Zr from a matrix supersaturated in Zr. In the peak-aged states, the alloy displays a favorable combination of strength and ductility, with a room-temperature yield strength of 314–341 MPa and ductility of 11–13%. The measured yield strengths for microstructures with different aging treatments are compared to predictions of yield strengths from grain boundary, solid solution, and particle strengthening contributions. The observed strain hardening behavior is related to fundamental precipitate and dislocation interactions. Comparison between predicted and measured strength values indicates a continued need for strengthening models specifically developed for the heterogeneous microstructures of additively manufactured alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Investigation on gate oxide reliability under gate bias screening for commercial SiC planar and trench MOSFETs

This paper evaluates the impact of the fast high gate-voltage screening technique on gate oxide reliability of commercial 1.2 kV 4H-SiC power metal-oxide-semiconductor field-effect transistors (MOSFETs) with planar and trench gate structures. The measurements are conducted on packaged devices with the intent that the results will be applicable to wafer-level screening. The threshold voltage (V th ) of SiC MOSFETs is measured before and after various screening treatments and recovery process. In addition, constant-voltage time-dependent dielectric breakdown (TDDB) measurements are performed on SiC MOSFETs to obtain the intrinsic lifetime of gate oxide. The objective of this study is to determine the optimal screening conditions and improve screening efficiency without degradation of gate oxide reliability, such as V th shift and reduced oxide intrinsic lifetime. Due to the differences in the gate oxidation process and structural design of SiC planar and trench MOSFETs, the two types of devices exhibit different oxide reliability in the screening process. The recommended screening conditions obtained in this paper reveal that SiC trench MOSFETs can accept higher screening voltages compared to SiC planar MOSFETs. Hence, it can be concluded that more efficient screening techniques can be adopted for SiC MOSFETs with thicker gate oxide to meet the requirements of industrial applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Flexible all-organic nanocomposite films interlayered with in situ synthesized covalent organic frameworks for electrostatic energy storage

Poly(vinylidene fluoride)-based terpolymers, known for having the largest dielectric constant among the existing dielectric polymers, are attractive materials for electrostatic film capacitors used in lightweight electrification systems. However, the potential of these terpolymers in film capacitor applications remains constrained by their low electrical insulating and mechanical strengths. To address these limitations, we introduced rigid covalent organic framework (COF) nanospheres into the thin films of soft terpolymers via in situ synthesis and a facile layer-by-layer solution casting method, whereby multilayer films consisting of two polymer outer layers and a COF-containing middle layer were readily obtained. The resultant all-organic thin films exhibit simultaneously high dielectric constant, enhanced breakdown strength, superior energy density (~25 J cm –3 ) at efficiencies over 80%, along with greatly improved mechanical self-supporting capability and excellent mechanical flexibility. Here, this work demonstrates the unprecedented use of COF for electrostatic energy storage, uncovering its potential for flexible electronic applications operating under high electric fields.

25 ENERGY STORAGE↗
DOE OSTI2020

Layout and performance of HPK prototype LGAD sensors for the High-Granularity Timing Detector

The High-Granularity Timing Detector is a detector proposed for the ATLAS Phase II upgrade. The detector, based on the Low-Gain Avalanche Detector (LGAD) technology, will cover the pseudo-rapidity region of 2.4 < |n| < 4.0 with two end caps on each side and a total area of 6.4 m 2 . The timing performance can be improved by implanting an internal gain layer that can produce signals with a fast rising edge. It significantly improves the signal-to-noise ratio. The required average timing resolution per track for a minimum ionizing particle is 30 ps at the start and 50 ps at the end of the HL-LHC operation. This is achieved with several layers of LGAD. The innermost region of the detector would accumulate a 1MeV neutron-equivalent fluence up to 2.5 10 15 n eq /cm 2 including a safety factor of 1.5 before being replaced during the scheduled shutdowns. The addition of this new detector is expected to play an important role in the mitigation of high pile-ups at the HL-LHC. The layout and performance of the various versions of LGAD prototypes produced by Hamamatsu (HPK) have been studied by the ATLAS Collaboration. The breakdown voltages, depletion voltages, inter-pad gaps, collected charge as well as the time resolution have been measured and the production yield of large size sensors has been evaluated.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Large area vertical Ga 2 O 3 Schottky diodes for X-ray detection

In this work, the Schottky barrier diodes were fabricated from a bulk Sn-doped (001) n-type Ga 2 O 3 substrate with a Si-doped epitaxial layer grown by hydride vapor phase epitaxy (HVPE), which demonstrate a good response to X-rays. Circular metal contacts with diameters ranging from 50 to 1500 um and square metal contacts ranging from 100 X 100 to 1600 X 1600 um 2 were deposited on the wafer. The devices were characterized for their electrical performance including forward current–voltage (FIV), reverse current–voltage (RIV), and capacitance-voltage (CV) measurements. The best device showed a breakdown voltage of –804 V and the devices tested had an average ideality of 1.12. The devices exhibited a clear response to X-rays even at zero bias with an experimentally observed response time 1.03 s and a linear response of detector signal to the X-ray dose rate. The experimentally observed device response time improved to 0.25 s when bias voltage is applied. The device also survived a long-term stability test of over 2 h under a constant X-ray irradiation. The sensitivity and the lower limit of detection for X-ray by Ga2O3 epitaxial Schottky detectors were discussed and determined as 43.5 C/mGy cm –2 at –200 V and 8.31 nGy Air /s, respectively.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Investigations on the multiple-sector hard-copper X-band accelerating structures

The development of advanced, high gradient accelerating structures is one of the leading activity of the particle accelerator community. In the technological research of new construction methods for these devices, high-power testing is a critical step for the verification of their viability. Recent experiments showed that accelerating cavities made out of hard copper, fabricated without high-temperature processes, can achieve better performance as compared with soft copper ones. Recently, we have built cavities using Tungsten Inert Gas welding and the high-power experiments confirmed that this joining process is a robust and low-cost alternative to brazing or diffusion bonding. This is a good solution for high-gradient operation, with a gradient of about 150 MV/m in X-band, at a breakdown rate of 10 -3 /pulse/meter using a shaped RF pulse with a 150 ns flat part. We continue the design, construction and high power tests of three-cells standing-wave X-band accelerating cavities fabricated with a split-open geometry, made of hard copper and vacuum-sealed by welding. Our aim is the fabrication of accelerating structures made out of hard copper alloys by using innovative cost-effective technologies. Moreover, our method of multiple-sector structures opens the way to new technological approaches and design methods, for example providing the possibility of placing dampers of the parasitic higher-order modes. Such structures with dampers allow for acceleration of multi-bunch beams, both in standing and in travelling-wave accelerating modality. Here, this paper describes the design of two cavities made of multiple sectors that were fabricated at the Italian Institute for Nuclear Physics in Frascati, Italy (INFN-LNF), assembled by means of clamping and then joined with the Tungsten Inert Gas welding in order to preserve the hardness of the metal. These are three-cell standing-wave X-band accelerating cavities, to be operated in the π-mode. We report the low-power RF tests of the first one, made of two halves, and the RF design of the second one, made of four quadrants. Both structures were built for high-gradient tests at SLAC National Accelerator Laboratory.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Spectroscopic performance of Low-Gain Avalanche Diodes for different types of radiation

LGADs (Low-Gain Avalanche Diodes or Detectors) are a type of silicon Avalanche Photo-Diodes originally developed for the fast detection of minimum ionizing particles in high-energy physics experiments. Thanks to their fast timing performance, the LGAD paradigm enables detectors to accurately measure minimum ionizing particles with a timing resolution of a few tens of picoseconds. Such a performance is due to a thin substrate and the presence of a moderate signal gain. This internal gain of a few tens is enough to compensate for the reduced charge deposition in the thinner substrate and the noise of fast read-out systems. While LGADs are optimized for the detection of minimum ionizing particles for high-energy particle detectors, it is critical to study their performance for the detection of different types of particle, such as X-rays, gamma-rays, or alphas. In this paper, we evaluate the gain of three types of LGADs: two devices with different geometries and doping profiles fabricated by Brookhaven National Laboratory, and one fabricated by Hamamatsu Photonics with a different process. Since the gain in LGADs depends on the bias voltage applied to the sensor, pulse-height spectra have been acquired for bias voltages spanning from the depletion voltage up to the breakdown voltage. Finally, the signal-to-noise ratio of the generated signals and the shape of their spectra allow us to probe the underlying physics of the multiplication process.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Demonstrating the β-Ga 2 O 3 Schottky diodes for alpha radiation detection

Schottky barrier diodes were fabricated on (001) monoclinic β-Ga 2 O 3 wafers with low doped epitaxial layers of 7.0 × 10 15 cm −3 . Circular Ni Schottky contacts with area 2 mm 2 were deposited by electron beam evaporation. Devices were characterized electrically by performing forward and reverse current-voltage sweeps with a range of −100 V–2 V, as well as capacitance-voltage sweeps to −30 V. The breakdown voltage was also determined to be −180 V for the devices. Experiments measuring the electrical response from incident X-ray radiation was performed. A response time to X-ray radiation of less than 1 s was recorded and a decay time of approximately 2 s after removing X-ray source, which primarily attribute to X-ray switching on and off time. Energy spectra of alpha particles from a 0.9 μCi 241 Am button source was collected at various voltage biases using devices with the lowest measured leakage current while reverse biased. The total count rate was observed to increase linearly with increasing device bias. In conclusion, the peak channel number was observed to increase with increasing bias with the best resolution of 9.5% at −100 V reverse bias.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Performance stability of plastics for neutron-gamma pulse shape discrimination

The introduction of the first commercially available plastic scintillators with pulse shape discrimination (PSD) offered by Eljen Technology marked progress towards potentially replacing liquid scintillators in neutron detection. However, use of these plastics over several recent years has revealed an important flaw in these materials: the eventual degradation of scintillation light output and PSD performance. Here, studies described in this paper considered possible reasons for this degradation. Experiments conducted with numerous lab-prepared and commercial EJ-276 samples showed that the main factor affecting the instability is oxidation that involves highly reactive radicals generated during the polymerization process or from the further breakdown of polymer chains under oxygen/air exposure. Based on the obtained results, the stability of scintillation performance for PPO (2,5-Diphenyloxazole)-based PSD plastics has been improved through modifications of the composition via the utilization of scintillation dyes and compounds with antioxidant properties that diminish the effects of oxidation. Elements of these studies were used in the commercial production of the most recent EJ-276D PSD plastic version for fast neutron detection and 6Li-loaded plastics for thermal neutron and antineutrino detection applications. Performance projections of the new PSD plastics indicate a likely degradation of less than 10 % over 5–10 years in comparison to previous EJ-276 that might lose up to 30–40 % of the scintillation light during 1–2 years of storage or deployment under ambient conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Characterization of 4H-SiC Low Gain Avalanche Detectors (LGADs)

4H-SiC Low Gain Avalanche Detectors (LGADs) have been fabricated and characterized. The devices employ a circular mesa design with low-resistivity contacts and an SiO 2 passivation layer. The I–V and C–V characteristics of the 4H-SiC LGADs are compared with complementary 4H-SiC PiN diodes to confirm a high breakdown voltage and low leakage current. Both LGADs and PiN diodes were irradiated with alpha particles from a $^{210}_{84}$Po source. The charge collected by each device was compared, and it was observed that low-gain charge carrier multiplication is achieved in the 4H-SiC LGAD.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Sensitivity study of coupled chemical-CFD simulations for analyzing aluminum-clad spent nuclear fuel storage in sealed canisters

We report the United States Department of Energy (DOE) manages over 50 Metric Tons Heavy Metal (MTHM) of aluminum-clad spent nuclear fuel. One main source for DOE’s Aluminum-clad spent nuclear fuel (ASNF) inventory is the advanced test reactor (ATR) at the INL site, which makes this fuel of particular interest for storage scenarios. Road-ready and final disposition packaging configurations for the ATR fuel dictates storage within helium-backfilled, sealed DOE standard canisters. The conditions within these sealed canisters for extended (greater than50 year dry) storage is of interest. To further this goal, a three-dimensional (3D) multi-physics computational fluid dynamics (CFD) model is developed of the sealed DOE standard canisters. This 3D CFD model is one-way coupled with bulk gas radiolysis reactions considering sealed canisters with inert gas and possible trace amounts of air and water vapor. This study looks at the evolution of the thermal history of the canisters over a 50 year time period with a coupling to the chemical reactions occurring from radiolytic breakdown of residual water. A sensitivity study is then carried out over the parameters of the model including the fuel decay heat, residual water content, sealed pressure, canister external temperature, and canister emissivity. In pure helium, hydrogen generation rates are low, under 10 ppm, but hydrogen generation rates are affected greatly by the presence of even 1% residual air, increasing by 50-plus-fold, and nitric acid generation with residual air also occurs ranging from 500 to 4000 ppm after 50 years. The fuel decay heat and the residual water content show the most importance in the generation of hydrogen gas in pure air, and for nitric acid with a residual air condition. External temperature, canister emissivity and sealed pressure all show minor sensitivity effects to the generation of potentially harmful species.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Gas generation and intramolecular isotope study in laboratory pyrolysis of the Springfield coal from the Illinois Basin

Position-specific (PS) isotopes of propane have been proposed as a potential geochemical tool to decipher various geological processes (e.g., thermal cracking, biodegradation, H exchange) in natural reservoirs. The limited studies have been conducted on the PS isotopes of propane from the pyrolysis gases from marine shales, and natural gases sourced from lacustrine and marine kerogens, but little is known on gases produced from the humic kerogen. Here, this study investigated the PS δ 13 C of propane in the closed-system pyrolysis of the Springfield coal, Illinois Basin, Indiana, at 310 to 470 °C (Easy %Ro: 0.76 to 3.07). The C kinetic isotope effect (KIE) of CH 4 produced in both this study and previous low-temperature pyrolysis of the same coal indicates the cleavage of C—O bonds is the main generation pathway at the early kerogen cracking stage, followed by the breakdown of alkyl groups. At the wet-gas cracking stage, C 3 H 8 production from thermally stable compounds has a significant influence on the bulk and position-specific C KIE in the pyrolysis of marine Woodford kerogen and Springfield coal. According to the PS δ 13 C of propane, the central site is likely more enriched in 13 C and the δ 13 C of the terminal site is relatively heterogeneous within the propyl group attached to different functional groups of the gas-prone kerogen. Our findings based on the pyrolysis experiments and natural gas samples indicate thermal cracking and biodegradation appear to alter the δ 13 C cen values more significantly than the δ 13 C ter values of propane. The larger magnitude of ΔC c-t in the kMC simulations (Peterson et al., 2018) compared with those from the marine shale and coal possibly implies the non-random distributions of 13 C of propane precursors in the kerogens. As a new dimension of intramolecular isotopic information of propane, the PS δ 13 C values can contribute to fingerprinting the gas origins and identifying the various geological processes (e.g., kerogen cracking, wet-gas cracking, microbial activities) in sedimentary basins.

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

Intruder configurations in 29 Ne at the transition into the island of inversion: Detailed structure study of 28 Ne

Detailed γ-ray spectroscopy of the exotic neon isotope 28 Ne has been performed for the first time using the one-neutron removal reaction from 29 Ne on a liquid hydrogen target at 240 MeV/nucleon. Based on an analysis of parallel momentum distributions, a level scheme with spin-parity assignments has been constructed for 28 Ne and the negative-parity states are identified for the first time. The measured partial cross sections and momentum distributions reveal a significant intruder p-wave strength providing evidence of the breakdown of the N=20 and N=28 shell gaps. Only a weak, possible f-wave strength was observed to bound final states. Large-scale shell-model calculations with different effective interactions do not reproduce the large p-wave and small f-wave strength observed experimentally, indicating an ongoing challenge for a complete theoretical description of the transition into the island of inversion along the Ne isotopic chain.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗