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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Measurement of G-phase volume fraction and number density in duplex stainless steels using transmission electron microscopy

Duplex stainless steels (DSS) have a high toughness and strength due the presence of both austenitic and ferritic phases. These alloys have had limited use in power production applications due to thermal embrittlement caused by spinodal decomposition and development of G-phase precipitates in the ferrite. Lean grade DSS alloys (e.g., 2101, 2003) may offer improved thermal stability due to the reduction of Cr- and Ni-equivalent elements when compared to standard grade compositions (e.g., 2205, 2209). The abundance of the G-phase was measured in five duplex stainless steels, three wrought alloys (2101, 2003, 2205) and their matching filler metals (2101-w, 2209-w), after aging at 427 °C for 1000 h and 10,000 h. The G-phase volume fraction, number density, size, and precipitate spacing were found using quantitative analysis of transmission electron microscopy dark field images and the composition of G-phase precipitates on other clusters were characterized with atom probe tomography (APT). In the welded alloys, the G-phase was found to develop rapidly, relative to the wrought material. A positive correlation was found between the nickel equivalent composition of the alloy and the G-phase volume fraction. The alloys 2205, 2209, and 2101-w, which are higher in Cr and Ni, all showed significant G-phase precipitation, further strengthening the hypothesis that lean grade DSS alloys are more thermally stable against precipitation in the ferrite. Electron diffraction showed a secondary phase present in the 2101 wrought alloy at 10,000 h, but it was not crystallographically consistent with the G-phase; APT showed the presence of nanoclusters rich in both nickel and copper for this alloy. In conclusion, no secondary phases or clusters were found in 2003 after 10,000 h of aging, so it may be a candidate alloy for applications that require long-life times at high operating temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Incoherent Thomson scattering system for PHAse space MApping (PHASMA) experiment

A new incoherent Thomson scattering system measures the evolution of electron velocity distribution functions perpendicular and parallel to the ambient magnetic field during kinking of a single flux rope and merging of two flux ropes through magnetic reconnection. The Thom-son scattering system provides sub-millimeter spatial resolution, sufficient to diagnose the several millimeters sized magnetic reconnection electron diffusion region in the PHAse Space MAppgin experiment. Due to the relatively modest plasma density ~ 10 19 m -3 and electron tem-perature ~1 eV, stray light suppression is critical for these measurements. Two volume Bragg gratings are used in series as a notch filter with a spectral bandwidth <0.1 nm in the collection branch. A CCD with a Gen III intensifier with peak quantum efficiency >47% is used as the detector in a 1.3 m spectrometer. Preliminary results of gun plasma electron temperature will be reported and compared with measurements obtained from a triple Langmuir probe.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Scoping study of detecting high harmonic fast waves in NSTX-U hot core plasma directly using beam emission spectroscopy

In this paper, we used radio frequency (RF) full wave simulation to explore the feasibility of generating a density beat oscillation formed by high harmonic fast waves (HHFWs) in the National Spherical Tokamak Experiment-Upgrade (NSTX-U) and of measuring it numerically with 2D beam emission spectroscopy (BES). This oscillation is of interest as it can be used to determine the injected RF fields. We began by computing HHFW fields in NSTX-U under a variety of experimental conditions and antenna configurations with Petra-M, a 3D RF wavefield solver. These fields were then used to evaluate the amplitude of δne,beat/ne0 in the volume of measurement, which we predict to be between 5 × 10−10 and 10−9, although it is highly dependent on plasma parameters. Trends in magnetic field, core temperature, core density, and antenna phasing are presented, and the parameters most suitable to this measurement are identified. Finally, we developed a synthetic BES diagnostic to compare the experimental BES signal against.

Rutherford, Grant (ORCID:0000000163620037)↗
DOE OSTI2024

An in-situ view cell system for investigating swelling behavior of elastomers upon high-pressure hydrogen exposure

The transition to hydrogen as a clean and efficient energy carrier is impeded by challenges in the compatibility of hydrogen with materials used within hydrogen infrastructure. Elastomers, crucial in sealing components, often exhibit premature failures in high-pressure hydrogen environments due to excessive swelling. This study employs an innovative in-situ view cell system to assess the swelling behavior of hydrogenated nitrile butadiene rubber (HNBR) under various hydrogen conditions. The system, designed to withstand pressures up to 96.5 MPa, incorporates Digital Image Correlation (DIC) for strain measurements and volume estimation. Results reveal non-linear volume increases during depressurization, challenging conventional assumptions. Furthermore, investigations into peak hydrogen pressures and pressure-holding scenarios during decompression highlight complex swelling trends. The introduction of a novel computer vision (CV) method enhances precision in volume estimation, overcoming DIC limitations. The study provides insights into mitigating elastomer swelling, crucial for developing robust materials to support future hydrogen-driven energy systems.

Elastomer↗
DOE OSTI2026

Reducing experimental uncertainty in the calculation of cavity swelling in a transmission electron microscope through crystallographically aided void volume tracking

Accurate measurement of cavity swelling in a transmission electron microscope is essential to define material performance under irradiation, and the conventionally applied spherical assumption for the calculation of cavity volumes in irradiated materials can result in errors ranging between a 25% underestimation and 72% overestimation of volume purely based on the assumption of shape. This assumption is undeniably expedient for calculation but does not sufficiently account for the 3D nature of polyhedral cavities and their shape projection in the transmission electron microscope, and therefore presents too large of an associated uncertainty in swelling determination for faceted cavities. This uncertainty has been defined for many common cavity shapes in FCC and BCC crystal systems, and has been tabulated across the cubic fundamental region. A revised methodology for crystallographically aided void volume tracking, or CAVV-T, is presented and demonstrated on a specimen of neutron irradiated Ni. In-depth discussion on the application of this technique is provided along with resources to allow for conversion between the spherical assumption and this revised method. This work seeks to increase experimental confidence in the characterization and quantification of critical aspects of irradiation damage in materials by applying a crystallographically-resolved approach for cavity swelling calculation.

Haag IV, James V. [Pacific Northwest National Labo↗
DOE OSTI2021

Exclusive dimuon production in ultraperipheral Pb+Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV with ATLAS

Exclusive dimuon production in ultraperipheral collisions (UPC), resulting from photon-photon interactions in the strong electromagnetic fields of colliding high-energy lead nuclei, PbPb(γγ) → μ + μ - (Pb (*) Pb (*) ), is studied using $\mathcal{L}$ int = 0.48 nb -1 of $\sqrt{s_{NN}}$ = 5.02 TeV lead-lead collision data at the LHC with the ATLAS detector. Dimuon pairs are measured in the fiducial region p T,μ >4 GeV, |η μ |<2.4, invariant mass m μμ >10 GeV, and p T,μμ <2 GeV. The primary background from single-dissociative processes is extracted from the data using a template fitting technique. Differential cross sections are presented as a function of m μμ , absolute pair rapidity (|y μμ |), scattering angle in the dimuon rest frame (| cos $\mathscr{O}$$^{*}_{μμ}$|), and the colliding photon energies. The total cross section of the UPC γγ → μ + μ - process in the fiducial volume is measured to be $σ^{μμ}_{fid}$ = 34.1 ± 0.3(stat.) ± 0.7(syst.) μb. Generally good agreement is found with calculations from STARlight, which incorporate the leading-order Breit-Wheeler process with no final-state effects, albeit differences between the measurements and theoretical expectations are observed. In particular, the measured cross sections at larger |y μμ | are found to be about 10–20% larger in data than in the calculations, suggesting the presence of larger fluxes of photons in the initial state. Modification of the dimuon cross sections in the presence of forward and/or backward neutron production is also studied and is found to be associated with a harder incoming photon spectrum, consistent with expectations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

A tungsten external heater for BX90 diamond anvil cells with a range up to 1700 K

Resistive heating of a sample in a diamond anvil cell (DAC) can generate a homogeneous temperature field across the sample chamber with reliable temperatures measured by a thermocouple. It is of importance in experiments aiming at exploring phase diagrams and quantifying thermoelastic properties of materials. Here, we present a ring-heater design developed for BX90 diamond anvil cells (DACs). Furthermore, it is made of a ring-shaped aluminum oxide holder hosting a tungsten wire coil inside and coupled with Ar + 2% H 2 gas to prevent oxidation during experiment. This modular plug-and-play design enables in situ studies of samples via x-ray diffraction up to a temperature of 1700 K. Temperature in the BX90 sample volume as measured through a thermocouple was calibrated using the melting point of gold. As an application of this design, we report the thermal expansion coefficient of MgO at 9.5(1) GPa.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Equation of state, phase transitions, and band-gap closure in Pb Cl 2 and Sn Cl 2

The equations of state and band-gap closures for Pb Cl 2 and Sn Cl 2 were studied using both experimental and theoretical methods. Here we measured the volume of both materials to a maximum pressure of 70 GPa using synchrotron-based angle-dispersive powder x-ray diffraction. The lattice parameters for both compounds showed anomalous changes between 16–32 GPa, providing evidence of a phase transition from the cotunnite structure to the related Co 2 Si structure, in contrast to the postcotunnite structure as previously suggested. First-principles calculations confirm this finding and predict a second phase transition to a Co 2 Si-like structure between 75– 110 GPa in Pb Cl 2 and 60–75 GPa in Sn Cl 2 . Band gaps were measured under compression to ~70 GPa for Pb Cl 2 and ~66 GPa for Sn Cl 2 and calculated up to 200 GPa for Pb CI 2 and 120 GPa for Sn Cl 2 . We find an excellent agreement between our experimental and theoretical results when using the Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional, which suggests that this functional could reliably be used to calculate the band gap of similar AX 2 compounds. Experimental and calculated band-gap results show discontinuous decreases in the band gap corresponding to phase changes to higher-coordinated crystal structures, giving insight into the relationship between interatomic geometry and metallicity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Creep Behavior and Phase Equilibria in Model Precipitate Strengthened Alumina-Forming Austenitic Alloys

Abstract Creep-rupture behavior and microstructural response in alumina-forming austenitic (AFA) alloys with two different precipitation strengthening mechanisms, “Laves-phase + M 23 C 6 carbide” and “coherent L1 2 γ′-Ni 3 (Al,Ti),” were explored as “model” cases of multi-phase, multi-scale heat-resistant AFA alloys for 650–750°C use. These alloys will be used to guide and verify computational alloy design and life-prediction modeling under an on-going eXtremeMAT project through the Office of Fossil Energy and Carbon Management, US Department of Energy. Computational thermodynamics were used to design and predict the amounts of strengthening and deteriorating secondary phases at 750°C. Creep-rupture lives of the alloys tested at 750°C and 100 MPa were in a range of 4000–9000 h, and the microstructure at the gage/grip after creep-rupture testing was compared with isothermally aged alloys for 1500 h, as well as the calculated phases. Detailed microstructure characterization includes phase identification, volume fraction measurement, and compositional analysis, which were correlated with the creep-rupture properties. High-temperature oxidation resistance was also screened and compared with commercial, chromia-forming heat-resistant steels. These model alloys also provide the basis for further design and optimization of next generation AFA alloys with improved creep resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Spray process of multi-component gasoline surrogate fuel under ECN Spray G conditions

As modern gasoline direct injection (GDI) engines utilize sophisticated injection strategies, a detailed understanding of the air-fuel mixing process is crucial to further improvements in engine emission and fuel economy. In this study, a comprehensive evaluation of the spray process of single-component iso-octane (IC8) and multi-component gasoline surrogate E00 (36 % n-pentane, 46 % iso-octane, and 18 % n-undecane, by volume) fuels was conducted using an Engine Combustion Network (ECN) Spray G injector. High-speed extinction, schlieren, and microscopy imaging campaigns were carried out under engine-like ambient conditions in a spray vessel. Experimental results including liquid/vapor penetration, local liquid volume fraction, droplet size, and projected liquid film on the nozzle tip were compared under ECN G1 (573 K, 3.5 kg/m 3 ), G2 (333 K, 0.5 kg/m 3 ), and G3 (333 K, 1.01 kg/m 3 ) conditions. In addition to the experiments, preferential evaporation process of the E00 fuel was elucidated by Large–Eddy Simulations (LES). The three-dimensional liquid volume fraction measurement enabled by the computed tomographic reconstruction showed substantial plume collapse for E00 under the G2 and G3 conditions having wider plume growth and plume-to-plume interaction due to the fuel high vapor pressure. Here, the CFD simulation of E00 showed an inhomogeneity in the way fuel components vaporized, with more volatile components carried downstream in the spray after the end of injection. The high vapor pressure of E00 also results in ~4 μm smaller average droplet diameter than IC8, reflecting a higher rate of initial vaporization even though the final boiling point temperature is higher. Consistent with high vapor pressure, E00 had a wider plume cone angle and enhanced interaction with the wall to cover the entire surface of the nozzle tip in a film. However, the liquid fuel underwent faster evaporation, so the final projected tip wetting area was smaller than the IC8 under the flash-boiling condition.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Efficient bi-directional coupling of 3D computational fluid-particle dynamics and 1D Multiple Path Particle Dosimetry lung models for multiscale modeling of aerosol dosimetry

The development of predictive aerosol dosimetry models has been a major focus of environmental toxicology and pharmaceutical health research for decades. One-dimensional (1D) models successfully predict overall deposition averages but fail to accurately predict local deposition. Computational fluid-particle dynamics (CFPD) models provide site-specific predictions but at a computational cost that prohibits whole lung predictions. Thus, there is a need for developing multiscale strategies to provide a realistic subject-specific picture of the fate of inhaled aerosol in the lungs. CT-based 3D/CFPD models of the large airways were bidirectionally coupled with individualized 1D Navier-Stokes airflow and particle transport based upon the widely used Multiple Path Particle Dosimetry Model (MPPD). Distribution of airflows among lobes was adjusted by measured lobar volume changes observed in CT images between FRC and FRC + 1.5 L. Additionally, as a test of the effectiveness of the coupling procedures, deposition modeling of previous 1 µm aerosol exposure studies was performed. The complete coupled model was run for 3 breaths, with the computation-intense portion being the 3D CFD Lagrangian particle tracking calculation. The average deposition per breath was 11% in the combined multiscale model with site-specific doses available in the CFPD portion of the model and airway- or region-specific deposition available for the MPPD portion. In conclusion, the key methods developed in this study enable predictions of ventilation heterogeneities and aerosol deposition across the lungs that are not captured by 3D or 1D models alone. Overall, these methods can be used as the foundation for multi-scale modeling of the full respiratory system.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

The influence of preexisting host rock damage on fault network localization

The transition from stable to unstable fracture propagation occurs when fractures begin to interact and link. Thus, fracture network coalescence controls how rocks and engineered structures fail. Here, to constrain the factors that influence localization in shear zones under brittle conditions, we build discrete element method models with a rough fault embedded in a shear zone. We add varying numbers of diffuse, randomly-placed weaknesses to examine the influence of diffuse damage on fracture network localization. The number of weaknesses controls the localization behavior of the fault network and the final fault geometry. We quantify localization using the Gini coefficient of the fracture volume, which measures the nonuniformity in a population. Each model generally increases in localization toward failure. However, models with more diffuse damage experience delocalization phases that are superimposed on the overall trend of increasing localization. The observed link between delocalization and host rock damage may help explain the varying localization of low magnitude seismicity in southern California. Models with more diffuse damage produce more complex fault geometries comprised of several parallel strands of wing cracks. The propagation of these wing cracks reduces the shear stress acting on the model boundaries, indicating that this fracture development increases the mechanical efficiency of the system.

58 GEOSCIENCES↗
DOE OSTI2025

Taking three-dimensional x-ray diffraction (3DXRD) from the synchrotron to the laboratory scale

Three-dimensional x-ray diffraction (3DXRD), a rotating x-ray diffraction technique, is a powerful tool for studying the micromechanical behavior of polycrystalline materials, capable of measuring the volume, position, orientation, and strain of thousands of grains simultaneously. However, its application has been historically limited to synchrotron facilities. Here, we present the first demonstration of laboratory-scale 3DXRD (Lab-3DXRD) using a liquid-metal-jet source. Lab-3DXRD achieves accuracy comparable to synchrotron-based 3DXRD, as validated against laboratory diffraction contrast tomography (LabDCT) and synchrotron-3DXRD. Over 96% of the grains detected with Lab-3DXRD are cross-validated, particularly for coarse grains (> ~60 μm), while the results suggest that finer grains should be accessible by taking advantage of high-efficiency detectors. We further demonstrate that its sensitivity to finer grains is enhanced by incorporating pre-characterization into the analysis. This study establishes Lab-3DXRD as a practical alternative to synchrotron techniques, making 3DXRD accessible to a wider range of academic and industrial researchers.

characterization and analytical techniques↗
DOE OSTI2020

Reduced methane recovery at high pressure due to methane trapping in shale nanopores

By 2050, shale gas production is expected to exceed three-quarters of total US natural gas production. However, current unconventional hydrocarbon gas recovery rates are only around 20%. Maximizing production of this natural resource thus necessitates improved understanding of the fundamental mechanisms underlying hydrocarbon retention within the nanoporous shale matrix. In this study, we integrated molecular simulation with high-pressure small-angle neutron scattering (SANS), an experimental technique uniquely capable of characterizing methane behavior in situ within shale nanopores at elevated pressures. Samples were created using Marcellus shale, a gas-generative formation comprising the largest natural gas field in the United States. Our results demonstrate that, contrary to the conventional wisdom that elevated drawdown pressure increases methane recovery, a higher peak pressure led to the trapping of dense, liquid-like methane in sub-2 nm radius nanopores, which comprise more than 90% of the measured nanopore volume, due to irreversible deformation of the kerogen matrix. These findings have critical implications for pressure management strategies to maximize hydrocarbon recovery, as well as broad implications for fluid behavior under confinement.

58 GEOSCIENCES↗
DOE OSTI2025

Experimental and computational studies on high-entropy carbide MoNbTaVWC 5 under high pressures

High-entropy carbide, MoNbTaVWC 5 , was synthesized from oxide precursors of the constituent metals, mixed with graphite powder in a microwave-generated hydrogen plasma at 26.66 kPa and 2100 °C. Ambient x-ray diffraction analysis confirms the full conversion of oxide precursors into a single-phase, face-centered cubic structure with a lattice parameter a = 4.3309 Å. Nanoindentation measured a hardness of 24.5 ± 1.3 GPa and an elastic modulus of 386 ± 22 GPa. The synthesized sample, mixed with a copper pressure marker, was studied by the radial x-ray diffraction technique with beryllium gasketing in a diamond anvil cell up to 70 GPa. The experimentally measured pressure–volume curve and shear strength were compared with theoretical predictions using the special quasi-random structure technique and density functional theory. MoNbTaVWC 5 achieved a 12% volume compression at 70 GPa and exhibited a high shear strength of 6.6 GPa. The present study demonstrates that the high-entropy carbide MoNbTaVWC 5 exhibits exceptional incompressibility and high strength under extreme conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Design and evaluation of an open-source, conformable skin-cooling system for body magnetic resonance guided focused ultrasound treatments

Magnetic resonance guided focused ultrasound (MRgFUS) treatment of tumors uses inter-sonication delays to allow heat to dissipate from the skin and other near-field tissues. Despite inter-sonication delays, treatment of tumors close to the skin risks skin burns. This work has designed and evaluated an open-source, conformable, skin-cooling system for body MRgFUS treatments to reduce skin burns and enable ablation closer to the skin. A MR-compatible skin cooling system is described that features a conformable skin-cooling pad assembly with feedback control allowing continuous flow and pressure maintenance during the procedure. System performance was evaluated with hydrophone, phantom and in vivo porcine studies. Sonications were performed 10 and 5 mm from the skin surface under both control and forced convective skin-cooling conditions. 3D MR temperature imaging was acquired in real time and the accumulated thermal dose volume was measured. Gross analysis of the skin post-sonication was further performed. Device conformability was demonstrated at several body locations. Hydrophone studies demonstrated no beam aberration, but a 5–12% reduction of the peak pressure due to the presence of the skin-cooling pad assembly in the acoustic near field. Phantom evaluation demonstrated there is no MR temperature imaging precision reduction or any other artifacts present due to the coolant flow during MRgFUS sonication. The porcine studies demonstrated skin burns were reduced in size or eliminated when compared to the control condition. An open-source design of an MRgFUS active skin cooling system demonstrates device conformability with a reduction of skin burns while ablating superficial tissues.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Linear instabilities in the hot-ion regime in a high-field spherical tokamak

Abstract The present operating high-field compact spherical tokamak ST40 is an important step toward an ST-based fusion reactor (Gryaznevich and Asunta 2017 Fusion Eng. Des. 123 177; McNamara 2023 Nucl. Fusion 63 054002). Temperature and density profiles and their uncertainties in recent hot ion ST40 plasmas with central ion temperatures exceeding 8.6 keV, have been inferred using an integrated analysis of several diagnostics including line-of-sight integration and volume average measurements, as well as limited profile information from a charge-exchange-recombination spectrometer. A linear gyrokinetic stability analysis has been carried out to identify the most unstable micro-instabilities in these hot ion plasmas. In one of these plasmas, it is found that linear growth rates of both ion- and electron-scale ( k θ ρ s ⩾ 0.2 where k θ is the poloidal wavenumber and ρ s is the ion gyro-radius with sound speed) modes decrease from the edge toward the core of the plasma (i.e. from ρ = 0.8 to 0.3 where ρ is the square root of the normalized magnetic flux), while the change of linear growth rates at k θ ρ s < 0.2 is non-monotonic. In particular, at ρ = 0.3 no unstable mode was found at k θ ρ s > 5 , and about an order of magnitude reduction in the maximum linear growth rate in the ion-scale wavenumber range of 0.2 ⩽ k θ ρ s < 1 is seen at ρ = 0.3 compared with the ρ = 0.8 location. It is found through parametric scans that while the ion temperature gradient (ITG) mode/trapped electron mode (TEM) and kinetic ballooning mode (KBM)/kinetic shear Alfvén (KSA) mode are more important in the plasma core, ubiquitous mode (UM) is found to be the important ion-scale instability at ρ ⩾ 0.6 . At ρ = 0.8, two instabilities are found at the electron scale, with one being the typical electrostatic electron temperature gradient (ETG) mode at ρ e scale and beyond and the other being an unidentified low-real-frequency instability (at the intermediate scale between electron and ion gyroradii) which can propagate in the ion direction and is driven by ETG. The existence of UM at the ion scale and the low-real-frequency instability and ETG mode at the electron scale at ρ = 0.8 is supported by an extensive linear gyrokinetic stability analysis of another ST40 hot ion plasma in a wider parametric range, taking into account the uncertainties in the experimental profiles.

ubiquitous mode↗