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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Relationship between magnetoresistance behavior and magnetic states in intercalated compounds Fe x TiS 2

Here, temperature and field-dependent neutron powder diffraction (NPD) measurements have been performed to reveal the nature of the unusual evolution of the magnetoresistance behavior with increasing Fe content in the intercalated compounds Fe x TiS 2 (with x=0.25,0.33,0.50,0.55) synthesized by solid-phase reaction method with prolonged homogenization heat treatment. As derived from neutron diffraction measurements, both the Fe 0.25 TiS 2 and the Fe 0.50 TiS 2 compound exhibit an antiferromagnetic (AFM) order below their respective Néel temperatures T N ≈52 K and T N ≈140K, which results in the presence of a large magnetoresistance accompanying the field-induced phase transition from AFM to the ferromagnetic (FM) state. At low temperatures, this AFM-FM transition is irreversible, confirmed by the irreversibility of changes in the NPD patterns and the presence of remnant magnetoresistance. In contrast, Fe 0.33 TiS 2 shows short-range magnetic order at T f ≈44 K due to a triangular network of intercalated Fe atoms and frustrations of exchange interactions with a field-induced FM alignment of Fe magnetic moments in an applied magnetic field as revealed by NPD measurements. The field-induced transformations of the cluster glass magnetic state in this compound lead to a significant decrease in electrical resistivity. According to NPD data, a reduced impact of an external magnetic field on the electrical resistivity of the compound Fe 0.55 TiS 2 can be ascribed to the presence of ferromagnetic or ferrimagnetic order in compounds with the Fe concentrations above x=0.50. The results obtained indicate that the distribution of the Fe atoms, along with their concentration in Fe x TiS 2 layered compounds, plays a decisive role in the formation of the magnetic state and the behavior of the magnetoresistance.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Novel Charge-Ordered States in 1 T -IrTe 2

1T-IrTe 2 exhibits an intriguing series of charge-ordered states in both bulk and atomically thin layers. The charge orders in IrTe 2 emerge with consecutive first-order structural transitions involving in-plane Ir–Ir dimerization and interlayer Te–Te depolymerization, resulting in stripe patterns with various periods. Upon chemical doping, 1T-IrTe 2 can also be driven into a superconductor. Despite the intense research effort, a comprehensive understanding of the nature of the charge ordering and its relation to the superconductivity is yet to be reached. This review provides an overview of the novel charge orders and the emergence of superconductivity in IrTe 2 . Finally, we further introduce the recent studies on IrTe 2 nanoflake, in which novel charge orders attainable only in two-dimensional limits lay the grounds for an exotic phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1992

Combustion of LOX with H2(sub g) under subcritical, critical, and supercritical conditions and experimental observation of dense spray and mixing of impinging jets

Progress made during the period of February 1 to October 15, 1992 is reported. The overall objective of Task 1 of the investigation is to achieve a better understanding of the combustion processes of liquid oxygen and gaseous hydrogen under subcritical, critical, and supercritical conditions. Specific objectives of the research program are: (1) to determine the evaporation- and burning-rate characteristics of LOX in hydrogen/helium environments under broad ranges of operating conditions; (2) to measure species concentration profile and surface temperature of LOX employing the gas chromatography and fine-wire thermocouples under non-reacting flow situations; (3) to perform a fugacity-based multicomponent thermodynamic phase equilibrium analysis for examining the high-pressure vapor-liquid equilibrium behavior at the liquid surface of LOX; (4) to formulate and solve a theoretical model for simulating the evaporation and combustion processes in a LOX/H2/He system; and (5) to validate the theoretical model with the measured experimental data. Task 2 of the investigation is described. Observation of a like-on-like injector element in the near-injector region performed in the previous phase of this project has identified the existence of a high Reynolds number regime in which the pre-impingement jets are fully turbulent and undergoing surface breakup. The new spray regime, which has not been observed by previous investigators, is characterized by the presence of many fine droplets and the disappearance of the well-defined liquid breakup wave pattern in the post-impingement region. It is speculated that a cavitating region may be present within the orifice so that it could induce strong turbulence, leading to an onset of atomization of the jets prior to impingement. To further investigate the dense spray behavior of the impinging jets in the high Reynolds number region, experiments were conducted using Plexiglas injector components for direct internal flow observation. The main objective is to determine under what conditions a cavitating region would form and whether or not the cavitation is reponsible for the development of the high Reynolds number spray regime. The procedure and major findings of the injector cavitation study are described.

Kuo, Kenneth K.↗
DOE OSTI2026

X‑ray Coherent Diffractive Imaging of Large Helium Nanodroplets Doped with Small Molecules

We report the first X-ray coherent diffractive imaging experiment on molecule-doped helium nanodroplets. It complements previous work, where we reported single-shot X-ray coherent diffractive imaging studies of Xe dopant clusters formed in 4He and 3He droplets. These noble gas clusters were used to visualize the impact of rotational excitation of the droplets on the spatial distribution of atomic dopants within the droplets, and to study the differences and connections between quantum and classical droplet rotational motion. Here, we expand our studies to the molecular dopants CF4, CHF3, CH3CN, and SF6, imaged with 1.5 keV photons. We find multiple Bragg spots in the diffraction patterns of molecule-doped droplets with radii of approximately 600 nm, which provide evidence that molecules form elongated clusters with preferential alignment along the angular momentum axis of the 4He droplets, in agreement with our previous results on the aggregation of Xe clusters on quantum vortices. Real-space reconstructions of molecular dopant cluster density profiles are obtained for droplets with smaller radii of approximately 300 nm. The diffuse images suggest the formation of low-density, potentially porous, molecular clusters upon aggregation at T = 0.4 K in 4He droplets. In the normal fluid 3He droplets, molecules aggregate into loose clusters on the droplets' equator, similar to previous observations for Xe atoms. Time-of-flight mass spectra reveal that the doped helium nanodroplet moieties fragment extensively into constituent atomic ions, producing only a small fraction of molecular fragment ions. The findings are discussed in the context of previously proposed schemes to use He droplets as potential tamper materials for ultrafast X-ray imaging experiments.

Feinberg, AlexandraJ↗
DOE OSTI2022

Two-Dimensional Mechanics of Atomically Thin Solids on Water

Movement of a three-dimensional solid at an air–water interface is strongly influenced by the extrinsic interactions between the solid and the water. The finite thickness and volume of a moving solid causes capillary interactions and water-induced drag. In this Letter, we report the fabrication and dynamical imaging of freely floating MoS 2 solids on water, which minimizes such extrinsic effects. For this, we delaminate a synthesized wafer-scale monolayer MoS 2 onto a water surface, which shows negligible height difference across water and MoS 2 . Subsequently patterning by a laser generates arbitrarily shaped MoS 2 with negligible in-plane strain. We introduce photoswitchable surfactants to exert a lateral force to floating MoS 2 with a spatiotemporal control. Using this platform, we demonstrate a variety of two-dimensional mechanical systems that show reversible shape changes. Our experiment provides a versatile approach for designing and controlling a large array of atomically thin solids on water for intrinsically two-dimensional dynamics and mechanics.

2D materials↗
DOE OSTI2025

Semiconductor-compatible topological digital alloys

Recently, GeSn alloys have attracted much interest for direct-gap infrared photonics and as potential topological materials which are compatible with the semiconductor industry. However, for photonics, the high-Sn content required leads to low detectivity, associated with poor material quality, and the (>35 %) Sn required for topological properties have been out of reach experimentally. Here, we demonstrate that by patterning the Sn distribution within Ge, the electronic properties have a far greater tunability than is possible with the random alloy. For the GeSn δ-digital alloy (DA) formed by confining Sn atoms in atomic layer(s) along the [111] direction of Ge, we show that ∼ 10 % Sn can lead to a triple-point semimetal. These findings are understood in terms of Sn ordering causing spatial separation of Sn and Ge band edges, leading to band inversion. This mechanism can also lead to a weak topological insulator, Weyl semimetal, and enables tunable direct bandgaps down to 2 meV, covering the entire infrared range. This DA induced topological properties are also identified in compound semiconductors, such as InAs 1-x Sb x , showing the general applicability of the DA design for realizing topological properties on conventional semiconductor platforms. Furthermore, our findings not only point to a new class of currently unexplored topological systems accessible by epitaxy, but also establish the promise of low-Sn GeSn DAs for application as infrared laser diodes and photodetectors in Si photonic integrated circuits and infrared image sensors.

3D topological semimetal↗
NASA NTRS1990

The dense interstellar medium and the birthplaces of OB stars

A review is presented of Stromgren's research on the relationships among atomic, ionized, and molecular hydrogen in the Galaxy and the spatial distribution and kinematics of OB stars. Particular attention is given to the development of density-wave theory, the implication that the pattern of the formation of OB stars in a spiral galaxy should rotate at a constant angular speed, which differs generally from the mean material speed of the interstellar gas. Other theories involving the mechanical support of molecular clouds; triggered star formation; and the relationships among H2, H I, and H II are discussed.

Shu, Frank H.↗
NASA NTRS1999

Effects of Hydrogen on Tantalum Nitride Resistors

This document is a presentation about the investigation of drift reported in static frequency output from the analog circuit of a Multichannel Microwave Integrated circuit hybrid microelectronic filter module for space flight application. Electron Dispersion X-Ray Detector )EDAX) Analysis of the 35k ohm thin film Tantalum Nitride Chip resistors identified Palladium in the film. A catalytic reaction of Palladium and hydrogen produces mono atomic hydrogen. When the filter module cavities were filled with a 4 % hydrogen 96 % Nitrogen gas mixture at 25C and monitored the electrical performance for 24 hours. Some channels drifted in a similar pattern as the channel being investigated. Palladium was found on the resistors. The corrective actions taken are reviewed, which resulted in a stable circuit.

Weiler, James↗
DOE OSTI2025

Thermodynamics of MgO Atomic Layer Deposition Surface Reactions

The realities of atomic layer deposition (ALD) surface reactions often deviate from the simple ligand exchange frequently used to illustrate the technique. A detailed understanding of these reactions is necessary to develop greater surface synthetic control including chemical selectivity for patterning or to target defects. Here, the thermodynamics of surface reactions relevant to MgO ALD were investigated using pyroelectric calorimetry to measure the time-resolved heat generation. These reactions show exothermic heat generation of 0.12 mJ/cm 2 and 0.15 mJ/cm 2 for alternating Mg(CpEt) 2 and H 2 O reactions, respectively. The total reaction heat closely matches the standard reaction enthalpy for bulk MgO, supplemented with first-principles molecular calculations. First-principles models further reveal that while simple ligand exchange is favorable during surface reactions, the required increase in Mg-coordination number from two in the precursor to six in bulk MgO requires additional coverage-dependent surface reactions, which depend on the availability and stability of proximal surface hydroxyls.

36 MATERIALS SCIENCE↗
DOE OSTI2024

3D Temperature-Controlled Interchangeable Pattern for Size-Selective Nanoparticle Capture

Patterned surfaces with distinct regularity and structured arrangements have attracted great interest due to their extensive promising applications. Although colloidal patterning has conventionally been used to create such surfaces, herein, we introduce a novel 3D patterned poly(N-isopropylacrylamide) (PNIPAM) surface, synthesized by using a combination of colloidal templating and surface-initiated photoinduced electron transfer-reversible addition–fragmentation chain transfer (SI-PET-RAFT) polymerization. In order to investigate the temperature-driven 3D morphological variations at a lower critical solution temperature (LCST) of ~32 °C, multifaceted characterization techniques were employed. Atomic force microscopy confirmed the morphological transformations at 20 and 40 °C, while water contact angle measurements, upon heating, revealed distinct trends, offering insights into the correlation between surface wettability and topography adaptations. Moreover, quartz crystal microbalance with dissipation monitoring and electrochemical measurements were employed to detect the topographical adjustments of the unique hollow capsule structure within the LCST. Tests using different sizes of PSNPs shed light on the size-selective capture–release potential of the patterned PNIPAM, accentuating its biomimetic open–close behavior. Notably, our approach negates the necessity for expensive proteins, harnessing temperature adjustments to facilitate the noninvasive and efficient reversible capture and release of nanostructures. Finally, this advancement hopes to pave the way for future innovative cellular analysis platforms.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Simulation of the Impact of Point Defects and Edge Dislocations on X-Ray Diffraction in Hexagonal (Ni,Co) 1+2 x Ti 1– x O 3 Thin Films

In this work, a computer code for simulating high-resolution X-ray diffraction (XRD) data from disordered crystals with arbitrary spatial composition and local lattice parameters is developed. Simulated patterns are compared with the experimental data collected on a single phase, highly crystalline (Ni 0.42 Co 0.58 ) 2.22 Ti 0.39 O 3 solid-solution thin film exhibiting a large number of subsidiary minima. As a case study, the edge dislocations in hexagonal (Ni,Co) 3 O 3 thin films with Burgers vector parallel and perpendicular to the a-axis and c-axis, respectively, are modeled. No peak profiles are assumed and thus issues related to profile fitting are avoided. Both macroscopic features, such as film thickness, and atomic-scale structure, such as dislocations, are simultaneously modeled. Simulations are run on a desktop machine. Commonly applied database-based phase identification routines can result in wrong phase identification, unless intensities are properly modeled. Modeling tools of diffractometer manufacturers are compared with the present approach. An example of how simulated reciprocal lattice patterns can be used to choose relevant measurement geometries in defected thin films is given.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Predicting Deposition Rate and Closing the Loop on Aerosol Jet Printing with In‐Line Light Scattering Measurements

Aerosol jet printing is a compelling noncontact, digital manufacturing technology for flexible, hybrid, and conformal electronics, but batch‐to‐batch variability and process drift inhibit systematic study and translation to production environments. Emerging measurement techniques for the aerosol volume fraction, a key parameter governing deposition rate, have shown promise for real‐time response, including a recent demonstration of human‐in‐the‐loop control. By integrating improved light scattering measurements with custom software, a robust environment for real‐time monitoring is established and fully automated closed‐loop control over the deposition rate during printing is enabled. The physical basis for scattering measurements as a feedback source is examined and the quantitative insight this provides for ink development and fundamental process studies is highlighted. Three candidate process variables for closed‐loop control, namely the atomizer voltage, carrier gas flow rate, and print speed, are then evaluated. The atomizer voltage demonstrates the best extended duration validity because it addresses atomization variability directly, but carrier gas flow rate and print speed provide faster and more deterministic responses. This methodology is then demonstrated for electrical properties using a silver nanoparticle ink, maintaining 98% of printed patterns within 10% of the mean resistance value over 3 h of printing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Quantum simulations of SO(5) many-fermion systems using qudits

The structure and dynamics of many-body systems are the result of a delicate interplay between underlying interactions. Fermionic pairing, for example, plays a central role in various physical systems, ranging from condensed matter to nuclear systems, where it can lead to collective phenomena such as superconductivity and superfluidity. In atomic nuclei, the interplay between pairing and particle-hole interactions leads to a high degree of complexity and intricate entanglement structures. Despite this apparent complexity, symmetries emerge and manifest themselves in observable regular patterns. These symmetries and their breakings have long been used to determine relevant degrees of freedom and simplify classical descriptions of many-body systems. Here, this work explores the potential utility of quantum computers with arrays of qudits in simulating interacting fermionic systems, when the qudits can naturally map the relevant degrees of freedom determined by an underlying symmetry group. The Agassi model of fermions interacting via particle-hole and pairing interactions is based on an underlying so(5) algebra. Such systems can intuitively be partitioned into pairs of modes with five basis states, which thus naturally map to arrays of d = 5 qudits (qu5its). Classical noiseless simulations of the time evolution of systems with up to twelve qu5its are performed, by implementing quantum circuits that are developed herein, using PYTHON codes invoking Google's CIRQ software. The resource requirements of the qu5it circuits are analyzed and compared with two different mappings to qubit systems: a physics-aware Jordan-Wigner mapping requiring four qubits per mode pair and a state-to-state mapping requiring three qubits per mode pair. While the dimensionality of Hilbert spaces in mappings to qu5it systems are less than those for the corresponding qubit systems, the number of entangling operations, depending on the available hardware, can either be greater or smaller than for the physics-aware Jordan-Wigner mapping. The state-to-state mapping, while having a smaller Hilbert space than Jordan-Wigner mappings, appears to be the least efficient in gate counts. Further, a previously unknown sign problem has been identified from Trotterization errors in time evolving high-energy excitations. There appear to be advantages in employing quantum computers with arrays of qudits to perform simulations of many-body dynamics that exploit the role of underlying symmetries, specifically in lowering the required quantum resources and in reducing anticipated errors that take the simulation out of the physical space. If the necessary entangling gates are not directly supported by the hardware, physics-aware mappings to qubits may, however, be advantageous for other aspects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Time-reversal symmetry breaking superconductivity between twisted cuprate superconductors

Twisted interfaces between stacked van der Waals (vdW) cuprate crystals present a platform for engineering superconducting order parameters by adjusting stacking angles. Using a cryogenic assembly technique, we construct twisted vdW Josephson junctions (JJs) at atomically sharp interfaces between Bi 2 Sr 2 CaCu 2 O 8+x crystals, with quality approaching the limit set by intrinsic JJs. Near 45° twist angle, we observe fractional Shapiro steps and Fraunhofer patterns, consistent with the existence of two degenerate Josephson ground states related by time-reversal symmetry (TRS). By programming the JJ current bias sequence, we controllably break TRS to place the JJ into either of the two ground states, realizing reversible Josephson diodes without external magnetic fields. Furthermore, our results open a path to engineering topological devices at higher temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRSDate not supplied

Initial Test Results for NASA Goddard’s Low-Cost Optical Terminal Adaptive Optics System

This presentation presents the testing approach and initial laboratory test results of the Adaptive Optics (AO) Subassembly (AOS) for the Low-Cost Optical Terminal (LCOT), a low-cost and flexible optical communications ground terminal. Leveraging commercial components and subassemblies wherever possible, LCOT is being developed by the NASA Goddard Space Flight Center (GSFC) Advanced Communications Capabilities for Exploration and Science Systems (ACCESS) project. An economical ground terminal allows NASA to create a global optical terminal network and enables the expansion of direct-to-Earth (DTE) optical communications. Located at the Goddard Geophysical and Astronomical Observatory (GGAO), LCOT is in the development phase and will receive first light during initial testing beginning in 2023. This new optical terminal includes a 700 mm Ritchey-Chretien commercial telescope, able to track Low Earth Orbit (LEO) spacecraft, receive instruments specified from 1500 - 1600 nm, and an uplink transmit optical system. Demodulation of optical coherent modulation formats requires downlink signal coupling into single-mode fiber. Due to atmospheric turbulence, signals experience wavefront distortions creating speckle patterns larger than the fiber core and high jitter requiring precise beam steering. AO is necessary to correct atmospheric turbulence effects and allow efficient coupling of received signals. In 2020, GSFC contracted with General Atomics to provide the LCOT AO system. This system has been delivered to GSFC in September 2021 and has been tested in laboratory to evaluate performance. This paper describes the laboratory testing approach, turbulence phase plate design, test results, and the AO field testing plan when installed on the LCOT telescope.

Adaptive Optics↗
DOE OSTI2023

Energetics of silicon in the bulk and near surfaces of tungsten: a first-principles study

Abstract Siliconization of the tokamak walls is a candidate method to improve plasma confinement in fusion tokamaks containing tungsten plasma facing components (W PFCs). To understand the interactions of silicon (Si) with W, the Si behavior in bulk W, and near three low-index W surfaces ((100), (110) and (111)) has been investigated using first-principles density functional theory. In bulk W, Si interstitial atoms have a low solution ability and high mobility, and Si atoms can be strongly trapped by W vacancies. The interaction between two Si adatoms is responsible for the stability of adatom superstructures on W surfaces, consistent with previous experimental observation (Tsong and Casanova 1981 Phys. Rev. Lett. 47 113). Although the coverage dependence of Si adsorption and diffusion energetics on surfaces is related to surface orientation, the W(110) surface has lower Si adsorption affinity and higher Si diffusivity than either the W(111) or W(100) surfaces. The most stable Si adatom superstructure on W surfaces is: square c(2 × 2) pattern on W(100) covered with 0.5 ML Si; rectangular c(4 × 2) pattern on W(110) with 0.25 ML Si; and rhombus p(1 × 1) pattern on W(111) with 1 ML Si. The coverage dependence of Si mobility on/toward W surfaces is generally related to the stability of the Si superstructures as a function of coverage on each surface. Interestingly, Si adatoms prefer to transport below the surface and into W subsurface by an exchange mechanism with W atoms, indicating the likelihood of epitaxial growth of W silicide layers on W surfaces during the operation of W PFCs.

Yang, L. (ORCID:0000000322166071)↗
NASA NTRS1992

Meteoritics and the origins of atomic nuclei

A review of new issues that have emerged in the study of nucleosynthesis is presented. The issues explored in detail are: (1) a quantitative s-process theory, (2) cosmoradiogenic chronology, (3) explosive nucleosynthesis and gamma-ray astronomy, and (4) cosmic chemical memory. The unexpected abundance patterns within meteorites that were suggested by the resolution of these issues are described.

Clayton, Donald D.↗
DOE OSTI2021

Multiphonon diffuse scattering in solids from first principles: Application to layered crystals and two-dimensional materials

Time-resolved diffuse scattering experiments have gained increasing attention due to their potential to reveal nonequilibrium dynamics of crystal lattice vibrations with full momentum resolution. Although progress has been made in interpreting experimental data on the basis of one-phonon scattering, understanding the role of individual phonons can be sometimes hindered by multiphonon excitations. In Ref. [M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, and R. Ernstorfer, Phys. Rev. Lett. 127, 207401 (2021)], we have introduced a rigorous approach for the calculation of the all-phonon inelastic scattering intensity of solids from first-principles. In the present work, we describe our implementation in detail and show that multiphonon interactions are captured efficiently by exploiting translational and time-reversal symmetries of the crystal. We demonstrate its predictive power by calculating the scattering patterns of monolayer molybdenum disulfide (MoS 2 ), bulk MoS 2 , and black phosphorus (bP), and we obtain excellent agreement with our measurements of thermal electron diffuse scattering. Remarkably, our results show that multiphonon excitations dominate in bP across multiple Brillouin zones, while in MoS 2 they play a less pronounced role. We expand our analysis for each system and examine the effect of individual atomic and interatomic vibrational motion on the diffuse scattering signals. We further demonstrate the high-throughput capability of our approach by reporting all-phonon scattering maps of two-dimensional MoSe 2 , WSe 2 , WS 2 , graphene, and CdI 2 , rationalizing in each case the effect of multiphonon processes. As a side point, we show that the special displacement method reproduces the thermally distorted configuration that generates precisely the all-phonon diffuse pattern. In conclusion, the present methodology opens the way for systematic calculations of the scattering intensity in crystals and the accurate interpretation of static and time-resolved inelastic scattering experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗