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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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236 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Direct Visualization of Defect‐Controlled Diffusion in van der Waals Gaps

Abstract Diffusion processes govern fundamental phenomena such as phase transformations, doping, and intercalation in van der Waals (vdW) bonded materials. Here, the diffusion dynamics of W atoms by visualizing the motion of individual atoms at three different vdW interfaces: hexagonal boron nitride (BN)/vacuum, BN/BN, and BN/WSe 2 , by recording scanning transmission electron microscopy movies is quantified. Supported by density functional theory (DFT) calculations, it is inferred that in all cases diffusion is governed by intermittent trapping at electron beam‐generated defect sites. This leads to diffusion properties that depend strongly on the number of defects. These results suggest that diffusion and intercalation processes in vdW materials are highly tunable and sensitive to crystal quality. The demonstration of imaging, with high spatial and temporal resolution, of layers and individual atoms inside vdW heterostructures offers possibilities for direct visualization of diffusion and atomic interactions, as well as for experiments exploring atomic structures, their in situ modification, and electrical property measurements of active devices combined with atomic resolution imaging.

Chemistry↗
DOE OSTI2026

Audible Noise Modeling of Hydrogen Release Sonic Hazards in Rail Maintenance Facilities

This study implemented validated literature models to predict audible noise due to pressurized gaseous hydrogen releases through a thermally-activated pressure relief device (TPRD) and attached vent stack. A literature survey discovered limited hydrogen-specific noise prediction models validated by experiments. However, empirical noise prediction models for air flowing through pipes and valves were identified. These empirical models were used to predict noise levels and compared against hydrogen noise data reported in two studies: one experimental study of noise from hydrogen leaking through a pipe and another which modeled hydrogen flowing through a solenoid valve during a fuel cell vehicle refueling. The valve flow model was then applied to predict noise for hydrogen releases through a TPRD. Results show that hydrogen releases through a TPRD can produce harmful noise levels varying from 134 to 150 dB. However, further model validation and additional experimental data are needed to improve prediction confidence and accuracy.

08 HYDROGEN↗
DOE OSTI2026

Adapting High-Resolution X-Ray Microcalorimeter Spectrometers to Transform MFE Plasma Diagnostics

The aim of this project was to begin the transformation of magnetic fusion energy (MFE) X-ray diagnostics by applying detector technology developed over the past several decades by the astrophysics community. We installed and operated an X-ray microcalorimeter detector system under fusion-relevant plasma conditions at the Madison Symmetric Torus (MST). X-ray microcalorimeter spectrometers combine the best characteristics of instrumentation currently available on fusion devices: the high spectral resolution of crystal spectrometers (2 eV) and broadband coverage provided by pulse-height analysis systems. These spectrometers have small port-access requirements, a key advantage for future MFE experiments. This new plasma diagnostic technique will satisfy the need for multispecies impurity ion data by providing absolute measurements of impurity core accumulation, and it will provide the core impurity ion temperature. This project was a joint effort between Lawrence Livermore National Laboratory (LLNL) and researchers at the Wisconsin Plasma Physics Laboratory (WiPPl) at the University of Wisconsin–Madison (UW–Madison). Megan E. Eckart is the principal investigator at LLNL, which is funded separately from UW–Madison. This final report fulfills the reporting obligation of the UW–Madison effort.

Den Hartog, Daniel J. [Department of Physics, Univ↗
DOE OSTI2026

Operando microscopy for neuromorphic hardware

Microscopy techniques can uncover the physical properties and dynamic behaviours of materials, driving the discovery of emergent phenomena and guiding the design of next-generation computing hardware. As artificial intelligence becomes pervasive, the demand for high-performance materials to support sustainable information technologies is growing. Here, this Review highlights state-of-the-art imaging from electron and X-ray to optical techniques to probe the dynamics of neuromorphic materials, including operando characterization of devices. We examine design principles for neuromorphic materials, along with obstacles that hinder their development. Emphasis is placed on spatially and temporally resolved approaches that capture state changes including phase transitions, ferroic switching and spin-wave propagation that emulate biological components such as neurons, synapses and their connectivity. We discuss challenges in operando characterization and the integration of artificial intelligence-driven analysis for feedback-guided material discovery. Finally, we outline opportunities for real-time imaging of neuromorphic systems, paving the way towards adaptive, brain-inspired hardware.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2020

An Ultra-long Life, High-performance, Flexible Li-CO2Battery Based on Multifunctional Carbon Electrocatalysts

Integrating CO2 utilization and renewable energy delivery/storage, the rechargeable Li–CO2 battery has been considered as a promising candidate for next-generation secondary batteries. However, high-performance catalyst(s) for efficient formation and decomposition of the discharge product, Li2CO3, are an imperative part of a Li–CO2 battery. The development of flexible Li–CO2 batteries extends their applications into compliant and wearable devices/systems, but at the same time imposes a big challenge for battery fabrication and lifetime enhancement. In this study, a rechargeable quasi-solidus flexible Li–CO2 battery was designed and fabricated using highly active N,S-doped carbon nanotubes (N,S-doped CNTs) as the cathode catalyst, and a smart polymer gel as the flexible electrolyte. This newly-developed flexible Li–CO2 battery exhibited a capacity as high as 23560 mAh g−1 based on the catalyst mass and an ultra-long lifetime of up to 538 cycles with excellent mechanical flexibility. This work provides a platform for the design and development of high-performance flexible Li–CO2 batteries from low-cost, earth-abundant, carbon-based multifunctional cathode catalysts.

Superior stability↗
DOE OSTI2022

Quantum Circuits for the Preparation of Spin Eigenfunctions on Quantum Computers

The application of quantum algorithms to the study of many-particle quantum systems requires the ability to prepare wave functions that are relevant in the behavior of the system under study. Hamiltonian symmetries are important instruments used to classify relevant many-particle wave functions and to improve the efficiency of numerical simulations. In this work, quantum circuits for the exact and approximate preparation of total spin eigenfunctions on quantum computers are presented. Two different strategies are discussed and compared: exact recursive construction of total spin eigenfunctions based on the addition theorem of angular momentum, and heuristic approximation of total spin eigenfunctions based on the variational optimization of a suitable cost function. The construction of these quantum circuits is illustrated in detail, and the preparation of total spin eigenfunctions is demonstrated on IBM quantum devices, focusing on three- and five-spin systems on graphs with triangle connectivity.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2005

Chapter 19B - Antenna Radiation Patterns

Modern civil and military aircraft are equipped with a variety of communication devices, radio navigation equipment, and air traffic control systems. For all of these devices appropriate antennas must be available to transmit and receive the signals. As a result, as many as 30 antennas, and sometimes even more, are mounted around today's aircraft. For this reason, it is necessary to know the capabilities of the receiving/transmitting equipment on board. These capabilities are driven by the antenna characteristics. Therefore, coverage, shading, and beam pointing pattern data are necessary for optimum electronic coverage. The aircraft antenna has to convert the available power density of the electromagnetic field to an electric voltage at its connector. This voltage level must be sufficiently high to operate the connected equipment. The reciprocity principle states that it makes no difference if the antenna is receiving or transmitting. For the certification of the aircraft antennas it must be proven that the antennas are at least generating the minimum receiver input voltage which is required for each radio service. The prime condition is, of course, that the specified field power densities of the different radio navigation and communication services are available. An important property of a radio frequency link is the electro-magnetic field intensity at every point in space for a given output power of the antenna. As the propagation of radio frequency waves in free space is well known, the spatial distribution of the field intensity needs only be measured at one spatial sphere around the antenna. The information is usually given as distributions along the circumference of flat sections through this sphere: each of these is called an ARP. Several ARPs are usually required to describe the complete spatial antenna pattern of an antenna. In addition to mathematical modeling, measurements on sub-scale models, and static measurements on full size models or aircraft on the ground, dynamic measurements on aircraft in flight play the most important role in the aircraft antenna testing and certification. [19B-1] The shape of an ARP, for one given frequency, is determined by the shape of the antenna and the shape and material of the surface it is mounted on. As the directly transmitted waves interfere with waves reflected by the aircraft skin with its complex geometry, and the surface material parameters are only roughly known, it is not possible to predict the ARP with the required accuracy. In ground measurements the earth's surface also acts as a reflector thereby causing the ground ARP to be different from the in-flight ARP. As the in-flight ARP is the ARP we are actually interested in it becomes clear that it is necessary to conduct in-flight ARP measurements. The Flight Test Engineer must be aware of the needs of the specialists who are establishing the test program for measuring antenna patterns and radar cross sections. These tests will require special test equipment and dedicated flights to obtain the data that they require. This Section provides an introduction to the principles of determining antenna patterns and the flight techniques for determining both antenna patterns and radar cross section. Reference 19B-1 provides detailed information.

Helmut Bothe↗
NASA NTRS2023

CFD Modeling of Bi-Directional PMD inside Cryogenic Propellant Tanks Onboard Parabolic Flights

Future cryogenic propulsion systems will require efficient methods with which to transfer cryogenic propellants from a depot storage tank to a customer receiver tank to minimize cost and maximize reusability. The Reduced Gravity Cryogenic Transfer project is currently developing advanced cryogenic fluid management technology and developing and validating new numerical models for three phases of transfer: line chilldown, tank chilldown, and tank fill. Additionally, multiple liquid nitrogen (LN 2 ) parabolic flight transfer rigs are being designed by universities and NASA to investigate the gravitational sensitivities that exist in these three technologies. In order to maximize the collection of low-g data during flights, it is required to extract as much (LN 2 as possible from the supply tank, despite variable gravity levels. The purpose of this paper is to present computational fluid dynamics (CFD) volume of fluid simulations of (LN 2 behavior in the supply tank onboard parabolic flights to validate the optimal design of a bi-directional propellant management device (PMD) using the commercial software FLOW-3D. A parametric study is conducted on the effects of gravity level, fill level, pore size, open area, thickness, and type of baffle on PMD performance. Based on results, the PMD as designed exceeds the targeted expulsion efficiency.

Jason Hartwig↗
DOE OSTI2024

Integrated optical frequency division for microwave and mmWave generation

Abstract The generation of ultra-low-noise microwave and mmWave in miniaturized, chip-based platforms can transform communication, radar and sensing systems 1–3 . Optical frequency division that leverages optical references and optical frequency combs has emerged as a powerful technique to generate microwaves with superior spectral purity than any other approaches 4–7 . Here we demonstrate a miniaturized optical frequency division system that can potentially transfer the approach to a complementary metal-oxide-semiconductor-compatible integrated photonic platform. Phase stability is provided by a large mode volume, planar-waveguide-based optical reference coil cavity 8,9 and is divided down from optical to mmWave frequency by using soliton microcombs generated in a waveguide-coupled microresonator 10–12 . Besides achieving record-low phase noise for integrated photonic mmWave oscillators, these devices can be heterogeneously integrated with semiconductor lasers, amplifiers and photodiodes, holding the potential of large-volume, low-cost manufacturing for fundamental and mass-market applications 13 .

Science & Technology - Other Topics↗
DOE OSTI2026

Superdiffusion resilience in Heisenberg chains with two-dimensional interactions on a quantum processor

Superdiffusive spin transport in the one-dimensional (1D) Heisenberg model is a key theoretical discovery in nonequilibrium quantum many-body physics. Although extensively studied in 1D systems, the breakdown and sustenance of superdiffusion in two-dimensional (2D) lattices with integrability-breaking terms, as found in real materials, remains an open question. To address this, we develop a toy model that extends the 1D Heisenberg model with a representative set of 2D interaction types and tunable strengths. Our model exhibits varying degrees of superdiffusion breakdown depending on the interaction type, spanning ballistic to diffusive regimes. We establish and justify a hierarchy of 2D interactions based on their resilience against superdiffusion breakdown: Heisenberg >𝑋⁢𝑋 > Ising. This precise control over the superdiffusive behavior also enables rigorous benchmarking of quantum hardware, and our simulations on IBM's Heron devices confirm the hardware's ability to accurately capture these many-body nonequilibrium phenomena. Overall, our results are relevant not only to simulating superdiffusion in real materials, such as the 1D Heisenberg compound KCuF3, which contains modest nonintegrable 2D terms, but also to extending superdiffusive behavior to larger 2D qubit lattices and other 2D materials.

Alagarsamy Manikandan, Keerthi Kumaran [ORNL]↗
DOE OSTI2024

Impact of hydrogenation on the stability and mechanical properties of amorphous boron nitride

Abstract Interconnect materials with ultralow dielectric constant, and good thermal and mechanical properties are crucial for the further miniaturization of electronic devices. Recently, it has been demonstrated that ultrathin amorphous boron nitride (aBN) films have a very low dielectric constant, high density (above 2.1 g cm −3 ), high thermal stability, and mechanical properties. The excellent properties of aBN derive from the nature and degree of disorder, which can be controlled at fabrication, allowing tuning of the physical properties for desired applications. Here, we report an improvement in the stability and mechanical properties of aBN upon hydrogen doping. With the introduction of a Gaussian approximation potential for atomistic simulations, we investigate the changing morphology of aBN with varying H doping concentrations. We found that for 8 at% of H doping, the concentration ofsp 3 -hybridized atoms reaches to a maximum which leads to an improvement of thermal stability and mechanical properties by 20%. These results will be a guideline for experimentalists and process engineers to tune the growth conditions of aBN films for numerous applications.

Materials Science↗
DOE OSTI2025

Reversible control over the distribution of chemical inhomogeneities in multiferroic BiFeO3

Abstract Despite the appeal of flawless order, semiconductor technology has demonstrated that implanting inhomogeneities into single-crystalline materials is pivotal for modern electronics. However, the influence of the local arrangement of chemical inhomogeneities on the material’s functionalities is underexplored. In this work, we control the distribution of chemical inhomogeneities in La 3+ -substituted ferroelectric BiFeO 3 thin films. By means of a stress- and composition-driven phase transition, we trigger the formation of a lattice of La 3+ -rich and La 3+ -poor layers. This ordering correlates with the emergence of an antipolar phase. An electric field restores the original ferroelectric phase and re-randomizes the distribution of the La 3+ inhomogeneities. Leveraging these insights, we tune the polar/antipolar phase coexistence to set the net polarization of La 0.15 Bi 0.85 FeO 3 to any desired value between its saturation limits. Finally, we control the net polarization response in device-compliant capacitor heterostructures to show that inhomogeneity-distribution control is a valuable tool in the design of functional oxide electronics.

Science & Technology - Other Topics↗
DOE OSTI2025

Reversible Ferroelectric Polarization Modulation of Chiral Molecular Ferroelectrics by Circularly Polarized Light

Abstract The optical modulation of ferroelectric polarization constitutes a transformative, non‐contact strategy for the precise manipulation of ferroelectric properties, heralding advancements in optically stimulated ferroelectric devices. Despite its potential, progress in this domain is constrained by material limitations and the intricate nature of the underlying mechanisms. Recent studies have achieved efficient regulation of ferroelectric polarization and thermal conductivity in chiral ferroelectric thin films through the application of left‐ and right‐handed circularly polarized light (LCP and RCP). Differential absorption of circularly polarized light (CPL) induces nonequilibrium carrier dynamics, generating distinctive interfacial electrostatic fields that enable precise control of ultrathin ferroelectric films. For (R)‐BINOL−DIPASi and (S)‐BINOL−DIPASi (C 26 H 26 O 2 Si), polarization changes surpass 23%, exhibiting opposite response under LCP and RCP excitation. In R chiral films, remnant polarization decreases from 1.05 µC cm − 2 under LCP to 0.85 µC cm − 2 under RCP, whereas in S chiral films, polarization increases from 0.85 µC cm − 2 under LCP to 0.98 µC cm − 2 under RCP. This reversible modulation facilitates reliable switching between ON and OFF states, presenting the potential of chiral ferroelectric materials for flexible, high‐speed integrated photonic sensor technologies.

Chemistry↗
DOE OSTI2024

Pressure induced modification of electronic and magnetic properties of MnCrNbAl and MnCrTaAl

Spin-gapless semiconductor (SGS) is a new class of material that has been studied recently for potential applications in spintronics. This material behaves as an insulator for one spin channel, and as a gapless semiconductor for the opposite spin. In this work, we present results of a computational study of two quaternary Heusler alloys, MnCrNbAl and MnCrTaAl that have been recently reported to exhibit spin-gapless semiconducting electronic structure. In particular, using density functional calculations we analyze the effect of external pressure on electronic and magnetic properties of these compounds. It is shown that while these two alloys exhibit nearly SGS behavior at optimal lattice constants and at negative pressure (expansion), they are half-metals at equilibrium, and magnetic semiconductors at larger lattice constant. At the same time, reduction of the unit cell volume has a detrimental effect on electronic properties of these materials, by modifying the exchange splitting of their electronic structure and ultimately destroying their half-metallic/semiconducting behavior. Thus, our results indicate that both MnCrNbAl and MnCrTaAl may be attractive for practical device applications in spin-based electronics, but a potential compression of the unit cell volume (e.g. in thin-film applications) should be avoided.

Materials Science↗
DOE OSTI2025

Laser activation of single group-IV colour centres in diamond

Abstract Spin-photon interfaces based on group-IV colour centres in diamond offer a promising platform for quantum networks. A key challenge in the field is realising precise single-defect positioning and activation, which is crucial for scalable device fabrication. Here we address this problem by demonstrating a two-step fabrication method for tin vacancy (SnV − ) centres that uses site-controlled ion implantation followed by local femtosecond laser annealing with in-situ spectral monitoring. The ion implantation is performed with sub-50 nm resolution and a dosage that is controlled from hundreds of ions down to single ions per site, limited by Poissonian statistics. Using this approach, we successfully demonstrate site-selective creation and modification of single SnV − centres. Our in-situ spectral monitoring opens a window onto materials tuning at the single defect level, and provides new insight into defect structures and dynamics during the annealing process. While demonstrated for SnV − centres, this versatile approach can be readily generalised to other implanted colour centres in diamond and wide-bandgap materials.

Science & Technology - Other Topics↗
DOE OSTI2025

Modulation of thermal conductivity of iron-doped ß-Ga2O3 by helium-ion irradiation

This study examines the impact of helium-ion irradiation on the thermal conductivity of ß-Ga2O3. A laser-based spatial domain thermoreflectance technique is used to investigate thermal conductivity map for both un-irradiated and irradiated ß-Ga2O3, which are then validated against simulation results derived from density functional theory-based phonon transport simulations. Since helium bubble evolution was ob- served at the nanoscale using transmission electron microscopy, the simulation study was carried out on eight distinct helium-induced sites in ß-Ga2O3. Our findings indicate a reduction in thermal conductivity for the irradiated samples. Experimental results show a significant reduction in thermal conductivity in irradiated samples, with de- creases of approximately 25% along the [100] direction and 40% along [001] directions. Phonon transport simulations closely replicate these findings, particularly when helium occupying interstitial sites, predicting reductions of ˜53% along [100] and ˜50% along [001] directions. This work underscores the role of irradiation-induced microstructural changes in the heat transport properties of ß-Ga2O3 which is crucial for its application in sensor devices in extreme environments.

36 - MATERIALS SCIENCE↗
NASA NTRS1995

The Alpha-Proton-X-Ray Spectrometer Deployment Mechanism: an Anthropomorphic Approach to Sensor Placement on Martian Rocks and Soil

On July 4,1997, the Mars Pathfinder spacecraft lands on Mars and starts conducting technological and scientific experiments. One experiment, the Alpha-Proton-X-ray Spectrometer, uses a sensor head placed against rocks and soil to determine their composition. To guarantee proper placement, a deployment mechanism mounted on the Mars Rover aligns the sensor head to within 20 deg of the rock and soil surfaces. In carrying out its task, the mechanism mimics the action of a human hand and arm. Consisting of a flexible wrist, a parallel link arm, a brush dc motor actuator, and a revolutionary non-pyrotechnic fail-safe release device, the mechanism correctly positions the sensor head on rocks as high as 0.29 m and on targets whose surfaces are tilted as much as 45 deg from the nominal orientation of the sensor head face. The mechanism weighs less than 0.5 kg, can withstand 100 g's, and requires less than 2.8 N x m of actuation torque. The fail-safe coupler utilizes Cerrobend, a metal alloy that melts at 60 C, to fuse the actuator and the rest of the mechanism together. A film heater wrapped around the coupler melts the metal, and Negator springs drive the mechanism into its stowed position. The fail-safe actuates using 6.75 Watts for 5 minutes in the event of an actuator failure.

Richard S Blomquist↗
NASA NTRSDate not supplied

The Use of Immersion Rigs for High Temperature Hydrogen Exposure Testing Within the Nuclear Thermal Rocket Element Environmental Simulator (NTREES): NTREES-5 Hydrogen Heat Exchanger (N5HHX-01)

The Nuclear Thermal Rocket Element Environmental Simulator (NTREES) facility at NASA’s Marshall Space Flight Center (MSFC) subjects materials and components typically found on nuclear thermal propulsion (NTP) systems to non-nuclear simulations of prototypic NTP reactor thermohydraulic environments. With 1.2 MW of inductive power available, the currently employed methods to simulate nuclear heating in NTREES consist of 1) inductively heating a test specimen, which typically cannot be performed on ceramic materials, or 2) heating gas that envelops the test specimen. The latter of these has provided a basis for developing so-called “immersion rigs” to be used in NTREES. Furthermore, immersion rigs are especially useful in the case of smaller, technically challenging test specimens. One such device, the “NTREES-5 Hydrogen Heat Exchanger” (N5HHX-01), designed and deployed to test small material coupons to ~0.5 g/s of 2800 K, 500 psi Hydrogen, is discussed herein. To achieve this desired delivery temperature level, the most suitable material for the N5HHX’s construction was pure tungsten, which imposed budgetary and manufacturing challenges. Also discussed in this paper is the design of the N5HHX rig’s sample container, which became the first iteration of improving NTREES small material coupon test operations by permitting rapid changeout of different material samples.

Reactor Testing↗