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NASA NTRS2021

Potential origin of the state-dependent hard tail in the black hole microquasar Cygnus X-1 as seen with INTEGRAL

Context.0.1–10 MeV observations of the black hole microquasar Cygnus X-1 have shown the presence of a spectral feature in the form of a power law in addition to the standard black body (0.1–10 keV) and Comptontonization (10–200 keV) components usually seen in all black hole X-ray binaries. This so-called “high-energy tail” has recently been shown to be strong in the hard spectral state and has been interpreted as high-energy part of the emission from a compact jet. Aims. This result was, however, obtained from a data set largely dominated by hard state observations. In the soft state, only upper limits on the presence and hence the potential parameters of a hard tail could be derived. Using an extended data set we aim at obtaining better constraints on the properties of this spectral component in both states. Methods. We make use of data obtained from about 15 years of observations with the INTEGRAL satellite. The data set is separated into the different states and we analyse stacked state-resolved spectra obtained from both the gamma-ray Imager and the Spectrometer onboard. Results. A high-energy component is detected in both states, confirming its earlier detection in the hard state and its suspected presence in the soft state as seen in a much smaller SPI data set. We first characterize the hard tail components in the two states through a model-independent, phenomenological analysis. We then apply physical models based on hybrid Comptonization (eqpair and belm). The spectra are well modeled in all cases, with a similar goodness of the fit. The spectral properties of the tails in the two states are, however, quite different. This might indicate that the emission originates from different media in the two cases. Our results are compatible with a compact jet origin in the hard state and hybrid Comptonization in the soft state.

F. Cangemi↗

NASA NTRS2020

Hardness-Strength Correlations in Zr(Cu)-Based BMG Alloys for QA Purposes

Quality assurance (QA) of bulk metallic glass (BMG) components would be expedited if hardness testing could provide a ready estimate of material strength. Consequently, a compilation of published data for Zr(Cu)-based alloys on the relationship between Vickers hardness (HV) and tensile/compressive strength (σ) is presented. An assessment reveals that the majority of data are confined within the hardness range of HV = 4.4−6.2 GPa and the strength range of σ = 1.4−2.3 GPa. Assuming a linear relationship, the statistical average of the hardness-strength correlation for BMGs (HV/σ = 2.87 ± 0.35) is very close to that established for non-austenitic steels (HV/σ = 2.86 ± 0.05). Unfortunately, the standard deviation of the BMG data is too broad for any type of correlation to be exploited for QA purposes. However, the narrow hardness range suggests that significant departures from the fully amorphous state resulting from processing variations may be detectable via indentation testing. Therefore, the relationship between hardness and volume/distribution of crystallinity for a specific alloy system warrants further investigation.

Bulk metallic glass↗

DOE OSTI2022

Hard disk drive dismantlement for critical material recovery

A system and method for recycling rare earth materials from dissimilar hard disk drives are provided. The system and method generally include scanning each hard disk drive, sorting and aligning each hard disk drive, rapid fastener removal or diversion to a metrology station, and the collection of separated value streams, optionally for formation into new magnetic stock. For each scanned hard disk drive having a match in an inventory database, the method includes the separation of an internal magnet from residual components. For each scanned hard disk drive lacking a match in the inventory database, the method includes generating a metrology data collection record containing the location of each fastener on multiple surfaces of the corresponding hard disk drive. The system and method are commercially scalable with the potential to generate between 600 and 700 metric tons of rare earth elements from a single processing facility annually, including neodymium for example.

McIntyre, Timothy J.↗

DOE OSTI2021

High temperature fracture toughness of single-layer CrAlN and CrAlSiN hard coatings

Hardness and toughness are among of the most important physical properties of hard coatings and it is important to analyze them at temperatures present during coating applications. CrAlN and CrAlSiN are hard coating materials frequently used in high temperature applications. Here, while both possess high oxidation resistance and thermal stability, they differ in their microstructure. In this work, the fracture toughness of magnetron-sputtered single-layer CrAlN and CrAlSiN hard coatings was determined up to 700 °C by in-situ scanning electron microscopy micro-cantilever deflection tests. The results show a decreasing trend of the fracture toughness with increasing temperature. While both coatings' fracture toughness trends are similar up to 400 °C, they diverge at higher temperatures. In general, the evolution of the fracture toughness with increasing temperature shows similarities to the observed changes in hardness in the same temperature range.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Experimental and modeling studies of IPDI-based polyurea elastomers – The role of hard segment fraction

Segmented polyureas (PUa) are industrially important class of polymers widely used in coatings, sealant, and adhesive applications. Here, in this paper, we report synthesis, characterization, and modeling of Isophorone Diisocyanate-Diethyl-Toluene-Diamine-Polyether amine (IPDI-DETDA-PO PUa) with varied hard segment contents of 20, 30, and 40 weight percent. For each of the three materials, we study its structure and phase behavior using FTIR, DSC, and TEM, and clearly show the presence of microphase separation between the hard and soft nanodomains. We then measure the linear viscoelastic response of the PUa-s using DMA (frequency sweeps at multiple temperatures). The DMA data are shown to obey the time-temperature superposition. Finally, we develop a new micromechanical model describing the DMA results; the model describes a phase-separated PUa as two “Fractional-order Maxwell gels” branches, connected in parallel, with the first FMG branch representing the “percolated hard phase" and the second one modeling the “filled soft phase". In agreement with the earlier thermodynamic theories, the volume-fraction of the percolated hard phase is related to the hard segment weight-fraction (HSWF), defined as the combined mass of IPDI and DETDA normalized to the total mass of the polymer. The data and model are found to be in a good qualitative and quantitative agreement.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Advances and perspectives of hard carbon anode modulated by defect/hetero elemental engineering for sodium ion batteries

Sodium-ion batteries (SIBs) serve as a promising complement to lithium-ion batteries for large-scale energy storage, leveraging the abundance of sodium resources and notable safety advantages. The key advancement in SIB industrialization hinges on identifying a cost-effective and high-performance anode material, similar to the graphite anode in lithium-ion batteries. Hard carbon emerges as prime anode materials for SIBs, boasting high specific capacity, low sodium storage potential, and wide availability. However, practical applications of hard carbon encounters challenges such as low initial Coulombic efficiency (ICE), inadequate long-term cycling stability, and poor rate performance. Recent research has focused on the optimization of hard carbon electrodes through functional design. In this comprehensive review, we have meticulously examined the progress in enhancing sodium storage performance through microstructural modulation within hard carbon, encompassing four pivotal aspects: heteroatom doping, incorporation of oxygen functional groups, surface coating, and intrinsic defect engineering. Progress in implementing these strategies is scrutinized, while the merits and challenges of each defect engineering approach are discussed. In conclusion, this review also looks into forthcoming opportunities and challenges in the practical application process of hard carbon electrodes in SIBs.

25 ENERGY STORAGE↗

DOE OSTI2026

Development of a broadband hard x-ray radiography platform for pulsed-power experiments

In this article, we develop and demonstrate a broadband hard x-ray radiography platform at the Zebra Pulsed Power Laboratory that integrates point-projection radiography, bremsstrahlung measurements, and hard x-ray pinhole imaging, designed to diagnose current-driven, cylindrically compressed matter. Initial laser-pulsed-power coupled experiments revealed that intense background radiation generated during 1 MA Zebra current shots overwhelmed laser-produced hard x-rays, obscuring radiographic images. Using combined spectral and spatial diagnostics, we identify energetic electrons accelerated by return currents as the dominant source of background hard x-rays, with electron energies inferred to be 3–4 MeV based on Monte Carlo simulations, and demonstrate mitigation through modifications to the radiation shielding and return-current configuration. The diagnostic platform was validated using a wire-pinch hard x-ray source, allowing radiographs of static 1-mm-diameter aluminum wires to be obtained while simultaneously measuring x-ray source spectra and spatial emission distributions within a single shot. Measured wire transmission profiles were quantitatively reconstructed using radiation transport simulations that incorporate an experimentally inferred two-temperature exponential x-ray spectrum from bremsstrahlung signal analysis and spatially distributed emission sources identified by pinhole imaging. Agreement between measured and simulated transmission profiles demonstrates the validity of the radiographic and x-ray source characterization approach, establishing this diagnostic platform as a promising tool for diagnosing magnetically driven, high-density plasmas relevant to warm dense matter and inertial fusion energy research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

True Breakdown Voltage and Overvoltage Margin of GaN Power HEMTs in Hard Switching

This work studies the dynamic breakdown voltage (BV) and overvoltage margin of a 650-V-rated commercial GaN power HEMT in hard switching. The dynamic BV measured in the hard switching circuits is over 1.4 kV, being 450 V higher than the static BV measured in the quasi-static I-V sweep. The device can survive at least 1 million hard-switching overvoltage pulses with 1.33 kV peak overvoltage (~95% dynamic BV). Recoverable device parametric shifts are observed after the 1-million pulses, featuring small reductions in threshold voltage and on-resistance. These shifts are different from the ones after the hard-switching pulses without overvoltage and are attributable to the trapping of the holes produced in impact ionization. Furthermore, these results suggest that the BV and overvoltage margin of GaN HEMTs in practical power switching can be significantly underestimated using the static BV. Index Terms— GaN, HEMT, power electronics, hard switching, breakdown voltage, overvoltage, ruggedness, reliability.

42 ENGINEERING↗

NASA NTRS1994

A New Class of Single Event Hard Errors

This paper reports on hard errors induced by single ions in dynamic memories. For ions with atomic number below 80, hard errors in DRAMs appear to be similar to the hard errors reported in previous work on SRAMs. One feature of these hard errors is that they tend to recover gradually with time, because of annealing, and are thus partially recoverable. However, for gold ions, a second type of hard error was discovered which is not recoverable, and appears to be due to catastrophic internal shorting rather than small changes in leakage current. Thus, nonrecoverable errors will likely occur even in devices which eliminate the extreme sensitivity to leakage current that is inherent in 4-T SRAMs and DRAMs. It is important to understand the mechanism that is responsible for nonrecoverable errors, and investigate the effect of device scaling.

single event hard errors DRAM SRAM ions gold ions ↗

DOE OSTI2024

Nanocrystal programmable assembly beyond hard spheres (or shapes) and other (simple) potentials

Ligands are the key to almost any strategy in the assembly of programmable nanocrystals (or nanoparticles) and must be accurately considered in any predictive model. Hard Spheres (or Shapes) provide the simplest and yet quite successful approach to assembly, with remarkable sophisticated predictions verified in experiments. There are, however, many situations where hard spheres/shapes predictions fail. This prompts three important questions: In what situations should hard spheres/shapes models be expected to work? and when they do not work, Is there a general model that successfully corrects hard sphere/shape predictions? and given other successful models where ligands are included explicitly, and of course, numerical simulations, can we unify hard sphere/shape models, explicit ligand models and all atom simulations? . Further, the Orbifold Topological Model (OTM) provides a positive answer to these three questions. In this paper, I give a detailed review of OTM, describing the concept of ligand vortices and how it leads to spontaneous valence and nanoparticle “eigenshapes” while providing a prediction of the lattice structure, without fitting parameters, which accounts for many body effects not captured by (two-body) potentials. I present a thorough survey of experiments and simulations and show that, to this date, they are in full agreement with the OTM predictions. I conclude with a discussion on whether NC superlattices are equilibrium structures and some significant challenges in structure prediction.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Vickers hardness prediction from machine learning methods

Abstract The search for new superhard materials is of great interest for extreme industrial applications. However, the theoretical prediction of hardness is still a challenge for the scientific community, given the difficulty of modeling plastic behavior of solids. Different hardness models have been proposed over the years. Still, they are either too complicated to use, inaccurate when extrapolating to a wide variety of solids or require coding knowledge. In this investigation, we built a successful machine learning model that implements Gradient Boosting Regressor (GBR) to predict hardness and uses the mechanical properties of a solid (bulk modulus, shear modulus, Young’s modulus, and Poisson’s ratio) as input variables. The model was trained with an experimental Vickers hardness database of 143 materials, assuring various kinds of compounds. The input properties were calculated from the theoretical elastic tensor. The Materials Project’s database was explored to search for new superhard materials, and our results are in good agreement with the experimental data available. Other alternative models to compute hardness from mechanical properties are also discussed in this work. Our results are available in a free-access easy to use online application to be further used in future studies of new materials at www.hardnesscalculator.com .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Neutron radiation hardness of aluminum gallium nitride UV LEDs at various wavelengths

Radiation hard diagnostics are critical to the success of nuclear fusion at National Ignition Facility, Z, ITER, and prolonged space explorations. We have first demonstrated the exceptional proton radiation hardness of initial GaN devices and qualified their space flight and deployment for missions such as the Laser Interferometer Space Antenna and International Space Station. We have further conducted neutron radiation hardness experiments at Los Alamos Neutron Science Center by opening a new high fluence beam station. During 2014–2016, we irradiated multiple Aluminum Gallium Nitride (AlGaN) LEDs with a maximum fluence of 2.4 × 1013 neutrons/cm2 in 3 years and generated 54 161 current–voltage (I–V) scan traces. Our data processing program analyzes each and all I–V traces. In addition, we retrieved local temperature records to analyze and remove temperature effects in the outdoor environment. The I–V curve families of AlGaN UV LEDs with emitting wavelengths of 265, 275, and 310 nm were compared. The I–V curves of 265 nm AlGaN UV LEDs have the smallest deviations from the average value, while the I–V curves for 310 nm AlGaN LEDs showed the largest deviations from the average value. We have reached another important recommendation for the optimal use of multiple AlGaN optoelectronic devices or imaging arrays for inertially confined fusion diagnostics: Shorter wavelength devices at 265 nm exhibit more consistent radiation hardness performance than the 310 nm devices. Higher aluminum content LEDs or AlxGa1–xN devices with higher mole fraction x for generating shorter wavelengths have better radiation hardness for fusion diagnostics.

Sun, K. -X. (ORCID:0000000224659235)↗

DOE OSTI2023

Exploring the hardness and high-pressure behavior of osmium and ruthenium-doped rhenium diboride solid solutions

Rhenium diboride (ReB 2 ) exhibits high differential strain due to its puckered boron sheets that impede shear deformation. Here, we demonstrate the use of solid solution formation to enhance the Vickers hardness and differential strain of ReB 2 . ReB 2 -structured solid solutions (Re 0.98 Os 0.02 B 2 and Re 0.98 Ru 0.02 B 2 , noted as “ReOsB 2 ” and “ReRuB 2 ”) were synthesized via arc-melting from the pure elements. In-situ high-pressure radial x-ray diffraction was performed in the diamond anvil cell to study the incompressibility and lattice strain of ReOsB 2 and ReRuB 2 up to ~56 GPa. Both solid solutions exhibit higher incompressibility and differential strain than pure ReB 2 . However, while all lattice planes are strengthened by doping osmium (Os) into the ReB 2 structure, only the weakest ReB 2 lattice plane is enhanced with ruthenium (Ru). These results are in agreement with the Vickers hardness measurements of the two systems, where higher hardness was observed in ReOsB 2 . The combination of high-pressure studies with experimentally observed hardness data provides lattice specific information about the strengthening mechanisms behind the intrinsic hardness enhancement of the ReB 2 system.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Soft-hard framework with exact four-momentum conservation for small systems

A new framework, called x-scape, for the combined study of both hard and soft transverse momentum sectors in high-energy proton-proton (𝑝−𝑝) and proton-nucleus (𝑝−𝐴) collisions is set up. A dynamical initial state is set up using the 3d-Glauber model with transverse locations of hotspots within each incoming nucleon. A hard scattering that emanates from two colliding hotspots is carried out using the Pythia generator. Initial state radiation from the incoming hard partons is carried out in a new module called I-matter, which includes the longitudinal location of initial splits. The energy-momentum of both the initial hard partons and their associated beam remnants is removed from the hot spots, depleting the energy-momentum available for the formation of the bulk medium. Outgoing showers are simulated using the matter generator, and results are presented for both cases, allowing for and not allowing for energy loss. First comparisons between this hard-soft model and single inclusive hadron and jet data from 𝑝−𝑝 and minimum bias 𝑝−Pb collisions are presented. Single hadron spectra in 𝑝−𝑝 are used to carry out a limited (in number of parameters) Bayesian calibration of the model. Fair comparisons with data are indicative of the utility of this new framework. Theoretical studies of the correlation between jet 𝑝 𝑇 and event activity at mid and forward rapidity are carried out.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Rechargeable Manganese Dioxide||Hard Carbon Lithium Batteries in an Ether Electrolyte

Earth-abundant, cost-effective electrode materials are essential for sustainable rechargeable batteries and global decarbonization. Manganese dioxide (MnO 2 ) and hard carbon both exhibit high structural and chemical tunability, making them excellent electrode candidates for batteries. Herein, we elucidate the impact of electrolytes on the cycling performance of commercial electrolytic manganese dioxide in Li chemistry. We leverage synchrotron X-ray analysis to discern the chemical state and local structural characteristics of Mn during cycling, as well as to quantify the Mn deposition on the counter electrode. By using an ether-based electrolyte instead of conventional carbonate electrolytes, we circumvent the formation of a surface Mn(II)-layer and Mn dissolution from Li x MnO 2 . Consequently, we achieved an impressive ~100% capacity retention for MnO 2 after 300 cycles at C/3. To create a lithium metal-lean full cell, we introduce hard carbon as the anode which is compatible with ether-based electrolytes. Commercial hard carbon delivers a specific capacity of ~230 mAh g -1 at 0.1 A g -1 without plateau, indicating a surface-adsorption mechanism. The resulting manganese dioxide||hard carbon full cell exhibits stable cycling and high Coulombic efficiency. Our research provides a promising solution to develop cost-effective, scalable, and safe energy storage solutions using widely available manganese oxide and hard carbon materials.

25 ENERGY STORAGE↗

DOE OSTI2023

Hard x-ray – optical four-wave mixing using a split-and-delay line

New, hard x-ray free electron lasers (FEL) produce intense femtosecond-to-attosecond pulses at angstrom wavelengths, giving access to the fundamental spatial and temporal scales of matter. These revolutionary light sources open the door to applying the suite of nonlinear, optical spectroscopy methods at hard x-ray photon energies. Nonlinear spectroscopy with hard x-rays can allow for measuring the coherence properties of short wavelength excitations with atomic specificity and for understanding how high energy excitations couple to other degrees of freedom in atomic, molecular or condensed-phase systems. As a step in this direction, here we present hard x-ray, optical four-wave mixing (4WM) measurements done at 9.8 keV at the split-and-delay line at the x-ray correlation spectroscopy (XCS) hutch of the Linac Coherent Light Source (LCLS). In this work, we create an x-ray transient grating (TG) from a pair of crossing x-ray beams and diffract optical laser pulses at 400 nm from the TG. The key technical advance here is being able to independently vary the delays of the x-ray pulses. Measurements were made in 3 different solid samples: bismuth germinate (BGO), zinc oxide (ZnO) and yttrium aluminum garnet (YAG). The resulting phase-matched, 4WM signal is measured in two different ways: by varying the x-ray, x-ray pulse delay which can reveal both material and light source coherence properties and also by varying the optical laser delay with respect to the x-ray TG to study how the x-ray excitation couples to the optical properties. Although no coherent 4WM signal was seen in these measurements, the absence of this signal gives important information on experimental requirements for detecting this in future work. Also, our laser-delay scans, although not a new measurement, were applied to different materials than in past work and reveal new examples x-ray induced lattice dynamics in solids. This work represents a key step towards extending nonlinear optics and time-resolved spectroscopy into the hard x-ray regime.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Hardness Prediction by Incorporating Heat Transfer and Molten Pool Fluid Flow in a Multi-pass, Multi-layer Weld for Onsite Repair of Grade 91 steel

Introduction: In the current fleet of fossil-fired power plants, creep strength enhanced ferritic steels (CSEF) are used to sustain the harsh service conditions. Enhanced properties of Grade 91 steel result from tempered martensite with a fine distribution of MX and M23C6 carbides. Grade 91 steel is subjected to onsite welding repair to remedy their degradation due to extreme service condition. Knowledge of weld repairability of these steels, such as as-welded hardness distribution, is essential to establishing sound repair procedures. Experimental trial and error tests can consume a lot of time as many welding variables need to be studied. For numerical modelling, most of the multi-pass multi-layer models are based on finite element method, which are limited to solve the heat conduction equation and ignore convective heat transfer due to melt flow. Moreover, the mesh has to be pre-built based on a known or assumed weld cross-section geometry. These finite element based models thus have limited predictive capability as defects are not considered and nugget size are pre-assumed. This research aims at developing a thermal and microstructure evolution model incorporating molten pool dynamics in a multi-pass multi-layer material deposition to predict the as-welded hardness distribution. Technical Approach: All the thermal, physical, and metallurgical properties of Grade 91 as a function of temperature are collected from the literature and inputted into the thermo-fluid model based on Flow-3D, a computational fluid dynamics software. A multi-pass, multi-layer material deposition is simulated where the melting of filler wire into the molten pool is directly considered based on the volume of fluid (VOF) method. The flow behaviour of the molten pool is used to understand the formation of deposition geometry and defects. The temperature profiles during the multi-pass, multi-layer welding are calculated. The results computed using the new model are compared against the experimental data of fusion zone geometry and thermal cycles. Hardness prediction in the heat-affected zone (HAZ) are made using Johnson-Mehl-Avrami (JMA) equation for solid-state phase transformation kinetics. The JMA parameters are extracted from the experimental data available in the literature. For comparison, a standard finite element heat conduction model is also developed to predict the thermal cycles and hardness distribution in the multi-pass, multi-layer weld. Expected Result: Results obtained using the molten pool dynamic simulation versus the finite element heat conduction model are compared. Specifically, the effects of convective heat transfer on the accuracy of the calculated thermal history, bead shape and size, and HAZ hardness distribution are examined.

Modeling, Grade 91 steel, Multi-pass multi-layer d↗

DOE OSTI2020

Hard X-Ray Excess from the Magnificent Seven Neutron Stars

We report significant hard X-ray excesses in the energy range 2–8 keV for two nearby isolated neutron stars: RX J1856.6-3754 and RX J0420.0-5022. These neutron stars have previously been observed in soft X-rays to have nearly thermal spectra at temperatures ~100 eV, which are thought to arise from the warm neutron star surfaces. We find nontrivial hard X-ray spectra well above the thermal surface predictions with archival data from the XMM-Newton and Chandra X-ray telescopes. We analyze possible systematic effects that could generate such spurious signals, such as nearby X-ray point sources and pileup of soft X-rays, but we find that the hard X-ray excesses are robust to these systematics to the extent that is possible to test. We also investigate possible sources of hard X-ray emission from the neutron stars and find no satisfactory explanation with known mechanisms, suggesting that a novel source of X-ray emission is at play. Here, we do not find high-significance hard X-ray excesses from the other five Magnificent Seven isolated neutron stars.

79 ASTRONOMY AND ASTROPHYSICS↗