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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Intelligent Pixel Detectors: Towards a Radiation Hard ASIC with On-Chip Machine Learning in 28 nm CMOS

Detectors at future high energy colliders will face enormous technical challenges. Disentangling the unprecedented numbers of particles expected in each event will require highly granular silicon pixel detectors with billions of readout channels. With event rates as high as 40 MHz, these detectors will generate petabytes of data per second. To enable discovery within strict bandwidth and latency constraints, future trackers must be capable of fast, power efficient, and radiation hard data-reduction at the source. We are developing a radiation hard readout integrated circuit (ROIC) in 28nm CMOS with on-chip machine learning (ML) for future intelligent pixel detectors. We will show track parameter predictions using a neural network within a single layer of silicon and hardware tests on the first tape-outs produced with TSMC. Preliminary results indicate that reading out featurized clusters from particles above a modest momentum threshold could enable using pixel information at 40 MHz.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Microstructure‐Dependent Sodium Storage Mechanisms in Hard Carbon Anodes

Sustainable energy storage is essential to support the transition to renewables and meet the increasing demand for energy. Sodium‐ion batteries (NIBs) are attractive for grid‐scale energy storage due to the abundance and low cost of sodium, sustainability of other battery components, and electrochemical performance. Hard carbon (HC) is a leading anode material for NIBs, but its complex microstructure complicates the understanding of sodium storage mechanisms. Using X‐ray total scattering and density functional theory calculations, this study clarifies how HC's microstructural variations influence sodium storage across the slope (high potential) and plateau (low potential) regions of the potential capacity curve. In the slope region, sodium initially adsorbs at high‐binding energy defect sites and subsequently intercalates between graphene layers, adsorbing at low‐binding energy defect sites, correlating with different slopes observed during initial sodiation. Initial irreversibility arises from sodium trapping at surface defects and solid electrolyte interface formation. In the plateau region, sodium simultaneously intercalates and fills pores, influenced by pore size, interlayer spacing, and defect concentration. HCs with larger pore sizes form larger sodium clusters. In conclusion, the proposed mechanism underscores the role of microstructure engineering in enhancing HC performance and advancing NIBs for grid‐scale energy storage.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Posterior Regularized Bayesian Neural Network incorporating soft and hard knowledge constraints

Neural Networks (NNs) have been widely used in supervised learning due to their ability to model complex nonlinear patterns, often presented in high-dimensional data such as images and text. However, traditional NNs often lack the ability for uncertainty quantification. Bayesian NNs (BNNS) could help measure the uncertainty by considering the distributions of the NN model parameters. Besides, domain knowledge is commonly available and could improve the performance of BNNs if it can be appropriately incorporated. In this work, we propose a novel Posterior-Regularized Bayesian Neural Network (PR-BNN) model by incorporating different types of knowledge constraints, such as the soft and hard constraints, as a posterior regularization term. Furthermore, we propose to combine the augmented Lagrangian method and the existing BNN solvers for efficient inference. Furthermore, the experiments in simulation and two case studies about aviation landing prediction and solar energy output prediction have shown the knowledge constraints and the performance improvement of the proposed model over traditional BNNs without the constraints.

14 SOLAR ENERGY↗
DOE OSTI2024

Nano-Plasticity of an Electrified Ionic Liquid/Electrode Interface: Uncovering Hard–Soft Structuring via Controlled Metal Fill Factor

Here, ionic liquids (ILs) nanostructuring at electrified interfaces is of both fundamental and practical interest as these materials are increasingly gaining prominence in energy storage and conversion processes. However, much remains unresolved about IL potential-controlled (re)organization under highly polarized interfaces, mostly due to the difficulty of selectively probing both the distal and proximal surface layers of adsorbed ions. In this work, the structural dynamics of the innermost layer (<10 nm from the surface) were independently interrogated from that of the ionic layers in the sub-surface region (>100 nm from the surface), using an infrared (IR) spectroscopy approach. By tuning the metal fill factor of gold films deposited on conductive metal oxide-modified IR internal reflection elements, the charge-driven (re)structuring of the inner and distal layers of 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate is unveiled. Within a relatively wide potential region (~±1 V) bounding the potential of zero charges, the ionic liquid is shown to undergo a reversible (i.e., soft) reorganization whereby the innermost layer of anions (cations) is exchanged by a layer of cations (anions). Kinetically unhindered changes in the number density of constituent cations and anions largely follow electrostatic expectations in the subsurface region, whereas the innermost layer exhibits a pronounced hysteresis and very slow relaxation. Under larger negative potential bias, IL restructuring is characterized by a highly irreversible (i.e., hard) and intense interfacial densification of the BMPy + cations, consistent with the formation of nanoscale segregated liquids. The outcomes of this work reveal a plastic IL nanostructuring under a strong electric field.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Strong Graphene 3D Assemblies with High Elastic Recovery and Hardness

The rational design and construction of 3D graphene assemblies is a crucial step to extend the graphene properties for practical applications. In this work, a novel interfacially reactive self-assembling process is reported to prepare well-organized 3D honeycomb-like graphene assemblies with unique polygonal nanopores interconnected by silicon-oxygen chemical bonds. The newly developed silicate-bridged graphene assembly (SGA) exhibits an exceptionally high hardness of 13.09 GPa, outperforming all existing 3D graphene materials, while maintains high Young’s modulus (162.96 GPa), elastic recovery (75.27%), and superb thermal stability (600 °C in air). The observed unusual merits are resulted from unique pore structure combining the mechanical stability of the trihedral-nanopore structure and the deformability of the other polygonal nanopores. As a filling material, a merely 0.05% (w/w) addition of SGA could double the impact resistance of unsaturated resins (e.g., polyester). While SGA is attractive for various applications, including body armors, wearable electronics, space elevators, and multifunctional reinforcement fibers for automobiles, and aerospace vehicles, the novel liquid sodium-water interfacial reactive self-assembling developed in this study could open avenues for further development of various well-defined 3D assemblies from graphene and many other materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

How Atomic Bonding Plays the Hardness Behavior in the Al–Co–Cr–Cu–Fe–Ni High Entropy Family

A systematic study on a face-centered cubic-based compositionally complex alloy system Al–Co–Cr–Cu–Fe–Ni in its single-phase state is carried out, where a mother senary compound Al 8 Co 17 Cr 17 Cu 8 Fe 17 Ni 33 and five of its suballoys, obtained by removing one element at a time, are investigated and exhaustively analyzed determining the contribution of each alloying element in the solid solution. The senary and the quinaries are compared using experimental techniques including X-ray absorption spectroscopy, X-ray diffraction, transmission electron microscopy, and first principles hybrid Monte Carlo/molecular dynamics simulations. Chemical short-range order and bond length distances have been determined both at the experimental and computational level. Electronic structure and local atomic distortions up to 5.2 Å have been correlated to the microhardness values. A linear regression model connecting hardness with local lattice distortions is presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

HYBRID simulations of diffraction-limited focusing with Kirkpatrick-Baez mirrors for a next-generation In Situ hard X-ray nanoprobe

Next-generation hard X-ray nanoprobe beamlines such as the In Situ Nanoprobe (ISN) beamline being planned at the Advanced Photon Source aim at providing very high spatial resolution while also enabling very high focused flux, to study complex materials and devices using fast, multidimensional imaging across many length scales. The ISN will use diffractive optics to focus X-rays with a bandpass of ΔE/E = 10 –4 into a focal spot of 20 nm or below. Reflective optics in Kirkpatrick-Baez geometry will be used to focus X-rays with a bandpass as large as ΔE/E = 10 –2 into a focal spot of 50 nm. Diffraction-limited focusing with reflective optics is achieved by spatial filtering and use of a very long, vertically focusing mirror. Furthermore, to quantify the performance of the ISN beamline, we have simulated the propagation of both partially and fully coherent wavefronts from the undulator source, through the ISN beamline and into the mirror-based focal spot. Simulations were carried out using the recently developed software “HYBRID.”

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Precipitation of Carbides and Dissolution of Widmanstätten Structure for Enhanced Hardness in Ti{sub 2}AlNb-Based Alloys

Carbide-reinforced Ti{sub 2}AlNb matrix composites were spark plasma sintered at 1100 °C by incorporating CNTs into single-B2-phase Ti-22Al-25Nb powders. The as-SPSed alloys were solution treated and then aged in different phase regions. By kinetics analysis and energy-dispersive spectroscopy, it is found carbon will stabilize α{sub 2} phase during solution treatment, and the formation of carbide results in the Nb-depleted regions, which further induces the formation of curly B2 + O Widmanstätten structure during quenching. Different from the general Widmanstätten structure in the aged Ti{sub 2}AlNb alloy, the remained α{sub 2} will consume the B2 within the Widmanstätten structure, when the carbon-added alloy is aged in B2 + O phase region. Compared to the alloy without CNTs, the Vickers hardness of the aged carbon-added Ti{sub 2}AlNb alloy is increased significantly, which is related to the uniform and abundant columnar carbides within the O-phase matrix.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Evolution of the Microstructure and Hardness of Fe-8Cr-2.1Mo-Si-V Die Steel at Different Cooling Rates after Hot Deformation

In this study, the effect of microstructure evolution, especially that involving the proeutectoid carbides, on hardness distribution of ledeburite steel containing 8% chromium content was investigated at different cooling rates after hot deformation. The continuous cooling transformation was carried out using a fully automatic transformation measuring apparatus under cooling rates in the range of 0.03-80 °C/s. The transformation temperatures, Ac1, Ac3 and Ms, were measured by dilatometry. A nanoindentation test was employed to evaluate the mechanical properties of the cooled specimens. The evolution of microstructure indicated that the proportion trend of the precipitated carbides was dependent on the cooling rates. In addition, a mixture of pearlite and proeutectoid carbides was observed under slow cooling rates in the range of 0.03-0.2 °C/s, for which only a martensite transformation took place in austenite, and the proeutectoid carbides precipitated negligibly at cooling rates greater than or equal to 10 °C/s. The results also showed that the nanohardness significantly decreased and then slowly increased to a stable value with increasing cooling rates, which was similar to the content trend of the carbides that precipitated during the cooling process.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Experimental Study on Microstructure and Hardness of Pure Titanium Subjected to Torsion Deformation at Different Temperatures

The studies of mechanical property, microstructure evolution and fracture analysis in pure titanium processed by torsion deformation at 298, 673 and 1073 K are conducted systematically. The variations of mechanical property of deformed pure titanium are shown through Vickers hardness evaluation. During torsion at 298 K, the grains are refined and elongated, but the α phase with different shapes precipitates for twisted samples at 673 and 1073 K. The fracture appearance indicates that the elongated dimples occur on fracture surface at 298 K. Besides, a large number of shear facets are arranged. However, typical intergranular fracture appearance with lots of blocks in polyhedral shape covers the fracture surface at 673 and 1073 K, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Crystal misorientation correlates with hardness in tooth enamels

The multi-scale hierarchical structure of tooth enamel enables it to withstand a lifetime of damage without catastrophic failure. While many previous studies have investigated structure-function relationships in enamel, the effects of crystal misorientation on mechanical performance have not been assessed. To address this issue, in the present study, we review previously published polarization-dependent imaging contrast (PIC) maps of mouse and human enamel, and parrotfish enameloid, in which crystal orientations were measured and displayed in every 60-nm-pixel. By combining those previous results with the PIC maps of sheep enamel presented here we discovered that, in all enamel(oid)s, adjacent crystals are slightly misoriented, with misorientation angles in the 0°-30° range, and mean 2°-8°. Within this limited range, misorientation is positively correlated with literature hardness values, demonstrating an important structure-property relation, not previously identified. At greater misorientation angles 8°30°, this correlation is expected to reverse direction, but data from different non-enamel systems, with more diverse crystal misorientations, are required to determine if and where this occurs.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Pollen structure visualization using high-resolution laboratory-based hard X-ray tomography

A laboratory-based X-ray microscope is used to investigate the 3D structure of unstained whole pollen grains. For the first time, high-resolution laboratory-based hard X-ray microscopy is applied to study pollen grains. Based on the efficient acquisition of statistically relevant information-rich images using Zernike phase contrast, both surface- and internal structures of pine pollen - including exine, intine and cellular structures - are clearly visualized. The specific volumes of these structures are calculated from the tomographic data. The systematic three-dimensional study of pollen grains provides morphological and structural information about taxonomic characters that are essential in palynology. Such studies have a direct impact on disciplines such as forestry, agriculture, horticulture, plant breeding and biodiversity. - Highlights: • The unstained whole pine pollen was visualized by high-resolution laboratory-based HXRM for the first time. • The comparison study of pollen grains by LM, SEM and high-resolution laboratory-based HXRM. • Phase contrast imaging provides significantly higher contrast of the raw images compared to absorption contrast imaging. • Surface and internal structure of the pine pollen including exine, intine and cellular structures are clearly visualized. • 3D volume data of unstained whole pollen grains are acquired and the specific volumes of the different layer are calculated.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Effect of H[subscript 2]O on the density of silicate melts at high pressures: Static experiments and the application of a modified hard-sphere model of equation of state

Density of ultramafic silicate melts was determined using the sink/float technique at high pressures. Seven melt compositions were studied, among which three were dry compositions with different Mg's (molar MgO/(MgO + FeO) x 100) and the other four were hydrous compositions synthesized by adding 2-7 wt.% H{sub 2}O to the anhydrous ones. Experimental conditions range from 9 to 15 GPa and from 2173 to 2473 K. The sinking and floatation of density markers were observed for all melt compositions. Melt density data were analyzed by applying the Birch-Murnaghan equation of state and a newly developed equation of state for silicate melts based on the model of hard sphere mixtures. The presence of water can significantly reduce the density of melts due to its small molecular mass. On the other hand, water makes hydrous silicate melts more compressible than anhydrous melts and therefore the effect of H{sub 2}O on melt density is less significant at high pressures. The density of hydrous melts was then calculated as a function of H{sub 2}O content at the conditions of the bottom of the upper mantle, and was compared with the density of the dominant upper mantle minerals. Results show that the conditions for a negatively buoyant melt that coexists with a pyrolite mantle atop the 410 km discontinuity are marginally satisfied if H{sub 2}O is the only volatile component to facilitate melting, but such conditions will be satisfied by a broader range of conditions when other heavier volatile elements (C, K, etc.) are also present.

58 GEOSCIENCES↗
DOE OSTI2020

Cryo-quenched Fe–Ni–Cr alloy decorative steel single crystals II: Alloy phases, structure, hardness, tensile, tribological, magnetic and electronic properties

We have previously reported (Boatner et al., J. Alloys Compd. 691 (2017) 666–671) on the discovery, formation, processing, and application of a new decorative ternary steel alloy and on its use in a wide range of practical applications including: custom and commercial knives, art objects, jewelry, electronics, and furniture. This decorative property results when polished single crystals of the 70 wt%Fe-15 wt%Ni-15 wt% Cr austenitic alloy are cryo-quenched into the martensitic phase resulting in the formation of a three-dimensional raised pattern of mixed austenitic/martensitic laths. These laths propagate across large dimensions of the material due to the absence of grain boundaries in the single crystal. The macroscopic optically reflective 3-D decorative pattern reproduces the structural symmetry inherent in the single-crystal orientation. This pattern results solely from the metallurgical phase properties of the ternary alloy and is completely distinct from the properties of Damascus steels or more modern so-called pattern-welded steels. Here we use X-ray diffraction, nanoindentation, hardness measurements/scratch testing, tribological measurements, and alloy resistivity and magnetization methods to obtain a more fundamental and comprehensive study of the effects of the austenitic/martensitic phase transition on the structural and physical properties of the 70 wt%Fe-15 wt%Ni-15 wt% Cr alloy. These results reveal new insight into irreversible phenomena that are associated with the inhibited phase transition on heating of the two-phase, mixed austenitic/martensitic structure that is formed subsequent to cryo-quenching the alloy crystal to 77 K.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structural distortion and band gap opening of hard MnB{sub 4} in comparison with CrB{sub 4} and FeB{sub 4}

MnB{sub 4} was newly synthesized to crystallize in a monoclinic P2{sub 1}/c structure, different from previous experimental and theoretical reports. Here, based on first-principles calculations, we perform a comparative study of geometric and energetic features, mechanical behaviors, electronic property and chemical bonding of the experimentally identified monoclinic MnB{sub 4}, as well as orthorhombic CrB{sub 4} and FeB{sub 4}. The results demonstrate that the presence of distorted rhomboidal-B{sub 4} units and one-dimensional Mn chains in the monoclinic MnB{sub 4} breaks the structural symmetry and lowers the total energy in comparison to the orthorhombic phase. The opening of band gap in MnB{sub 4} is induced by Peierls-paired Mn atoms, differing from the metallic behaviors of recently studied tetraborides. Specifically, the preservations of covalent bonding in distorted boron-rhomboids in MnB{sub 4} explain the relatively higher incompressibility and hardness. - Graphical abstract: P2{sub 1}/c-type structure for MnB{sub 4} characterizes rhomboid-B{sub 4} units and alternately short and long Mn–Mn chains. - Highlights: • The novel P2{sub 1}/c-type MnB{sub 4} compound is studied by first-principles calculations. • P2{sub 1}/c-type MnB{sub 4} has lower total energy and relatively higher stability. • An energy gap opening is found for P2{sub 1}/c-type MnB{sub 4} induced by Mn atom pairs. • P2{sub 1}/c-type MnB{sub 4} exhibits excellent mechanical properties. • The mechanical properties of TcB{sub 4} and ReB{sub 4} in P2{sub 1}/c structure are also studied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Pulse electrodeposited nickel using sulphamate electrolyte for hardness and corrosion resistance

Highlights: • Nickel deposits from sulphamate solutions using pulse method are prepared. • Effect of duty cycle and frequency are studied. • XRD, SEM and AFM of the nickel deposits are characterized. • Corrosion characteristics of the nickel deposit are reported. - Abstract: Nickel deposits have been obtained on mild steel substrate by pulse current (PC) electrodeposition method using nickel sulphamate electrolyte. Micro hardness values increased with decreasing duty cycle and pulse frequency. X-ray diffraction studies revealed that (2 0 0) plane was predominant and the nickel deposit obtained at low duty cycle and low frequency has the smallest grain size. The surface morphology of the coatings was explored by scanning electron microscopy (SEM) and atomic force microscopy. These studies showed that the microstructure of the nickel coatings changed from pyramidal structure to homogeneous structure with increasing duty cycle and pulse frequencies. The corrosion resistance of coatings was evaluated by potentiodynamic polarization and electrochemical impedance studies in 3.5 wt% sodium chloride (NaCl) solutions. An enhancement of the corrosion resistance, charge-transfer resistance and wear resistance has been obtained at low duty cycle and low frequencies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Radiation-hard miniature optical engine with high bandwidth

Future silicon trackers will be operated in an intense radiation environment and require large volumes of data to be transmitted off detector. In addition, the optical modules must be of low mass in order to limit multiple scattering and nuclear interactions that would degrade the overall performance of the detector. Here, we present a miniature optical engine that satisfies these constraints. The optical engine consists of an ASIC driving a VCSEL (Vertical Cavity Surface Emitting Laser) array in an optical package. Two ASICs are designed to operate a 12-channel VCSEL array at 1.28 or 5.12 Gb/s per channel, which yields a total data rate of up to 60 Gb/s. The core transistors are fabricated in a 65 nm CMOS process which enhance the radiation-hardness. Each channel contains equalizer (CTLE) and clock-data recovery circuits (CDR) so that the ASIC can restore the highly distorted electrical signal after propagating through several meters of cables of small diameter. The equalizer, CDR, and VCSEL driver are configured via a digital I 2 C chip interface with triple redundant memory to mitigate single event upset (SEU) effects. The bias and modulation currents are controlled by a digital-to-analog converter (DAC). We present the design of the circuit together with the results of the simulations and preliminary measurements.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Elucidating the electronic structure of supported gold nanoparticles and its relevance to catalysis by means of hard X-ray photoelectron spectroscopy

We report on the electronic structure of Au (gold) nanoparticles supported onto TiO 2 with a goal of elucidating the most important effects that contribute to their high catalytic activity. We synthesize and characterize with high resolution transmission electron microscopy (HRTEM) 3.4, 5.3, and 9.5 nm diameter TiO 2 -supported Au nanoparticles with nearly spherical shape and measure their valence band using Au 5d subshell sensitive hard X-ray photoelectron spectroscopy (HAXPES) conducted at Spring-8. Based on density functional theory (DFT) calculations of various Au surface structures, we interpret the observed changes in the Au 5d valence band structure as a function of size in terms of an increasing percentage of Au atoms at corners/edges for decreasing particle size. Finally, this work elucidates how Au coordination number impacts the electronic structure of Au nanoparticles, ultimately giving rise to their well-known catalytic activity.

36 MATERIALS SCIENCE↗