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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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207 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Calibrating cryogenic temperature of TEM specimens using EELS

Cryogenic Scanning/Transmission Electron Microscopy has been established as a leading method to image sensitive biological samples and is now becoming a powerful tool to understand materials' behavior at low temperatures. However, achieving precise local temperature calibration at low temperatures remains a challenge, which is especially crucial for studying phase transitions and emergent physical properties in quantum materials. In this study, we employ electron energy loss spectroscopy (EELS) to measure local cryogenic specimen temperatures. Here we use the temperature-dependent characteristics of aluminum's bulk plasmon peak in EEL spectra, which shifts due to changes in electron density caused by thermal expansion and contraction. We successfully demonstrate the versatility of this method by calibrating different liquid nitrogen cooling holders in various microscopes, regardless of whether a monochromated or non-monochromated electron beam is used. Temperature discrepancies between the actual temperature and the setpoint temperatures are identified across a range from room temperature to 100 K. This work demonstrates the importance of temperature calibrations at intermediate temperatures and presents a straightforward, robust method for calibrating local temperatures of cryogenically-cooled specimens in electron microscopes.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Calibrating Laser Gas Measurements by Use of Natural CO2

An improved method of calibration has been devised for instruments that utilize tunable lasers to measure the absorption spectra of atmospheric gases in order to determine the relative abundances of the gases. In this method, CO2 in the atmosphere is used as a natural calibration standard. Unlike in one prior calibration method, it is not necessary to perform calibration measurements in advance of use of the instrument and to risk deterioration of accuracy with time during use. Unlike in another prior calibration method, it is not necessary to include a calibration gas standard (and the attendant additional hardware) in the instrument and to interrupt the acquisition of atmospheric data to perform calibration measurements. In the operation of an instrument of this type, the beam from a tunable diode laser or a tunable quantum-cascade laser is directed along a path through the atmosphere, the laser is made to scan in wavelength over an infrared spectral region that contains one or two absorption spectral lines of a gas of interest, and the transmission (and, thereby, the absorption) of the beam is measured. The concentration of the gas of interest can then be calculated from the observed depth of the absorption line(s), given the temperature, pressure, and path length. CO2 is nearly ideal as a natural calibration gas for the following reasons: CO2 has numerous rotation/vibration infrared spectral lines, many of which are near absorption lines of other gases. The concentration of CO2 relative to the concentrations of the major constituents of the atmosphere is well known and varies slowly and by a small enough amount to be considered constant for calibration in the present context. Hence, absorption-spectral measurements of the concentrations of gases of interest can be normalized to the concentrations of CO2. Because at least one CO2 calibration line is present in every spectral scan of the laser during absorption measurements, the atmospheric CO2 serves continuously as a calibration standard for every measurement point. Figure 1 depicts simulated spectral transmission measurements in a wavenumber range that contains two absorption lines of N2O and one of CO2. The simulations were performed for two different upper-atmospheric pressures for an airborne instrument that has a path length of 80 m. The relative abundance of CO2 in air was assumed to be 360 parts per million by volume (approximately its natural level in terrestrial air). In applying the present method to measurements like these, one could average the signals from the two N2O absorption lines and normalize their magnitudes to that of the CO2 absorption line. Other gases with which this calibration method can be used include H2O, CH4, CO, NO, NO2, HOCl, C2H2, NH3, O3, and HCN. One can also take advantage of this method to eliminate an atmospheric-pressure gauge and thereby reduce the mass of the instrument: The atmospheric pressure can be calculated from the temperature, the known relative abundance of CO2, and the concentration of CO2 as measured by spectral absorption. Natural CO2 levels on Mars provide an ideal calibration standard. Figure 2 shows a second example of the application of this method to Mars atmospheric gas measurements. For sticky gases like H2O, the method is particularly powerful, since water is notoriously difficult to handle at low concentrations in pre-flight calibration procedures.

Webster, Chris↗
DOE OSTI2026

Magnon-Magnon Interaction Induced by Dynamic Coupling in a Hybrid Magnonic Crystal

We report a combined experimental and numerical investigation of spin-wave dynamics in a hybrid magnonic crystal consisting of a CoFeB artificial spin ice (ASI) of stadium-shaped nanoelements patterned atop a continuous NiFe film separated by a 5 nm Al 2 O 3 spacer. Using Brillouin light scattering spectroscopy, we probe the frequency dependence of thermal spin waves as functions of applied magnetic field and wavevector, revealing the decisive role of interlayer dipolar coupling in the magnetization dynamics. Micromagnetic simulations complement the experiments, showing a strong interplay between ASI edge modes and backward volume modes in the NiFe film. The contrast in saturation magnetization between CoFeB and NiFe enhances this coupling, leading to a pronounced hybridization manifested as a triplet of peaks in the BLS spectra predicted by simulations and observed experimentally. This magnon−magnon coupling persists over a wide magnetic field range, shaping both the spin-wave dispersion at fixed fields and the full frequency-field response throughout the magnetic hysteresis loop. Our findings establish how ASI geometry can selectively enhance specific spin-wave wavelengths in the underlying film, thereby boosting their amplitude and identifying them as preferential channels for spin wave transmission and manipulation.

Brillouin light scattering spectroscopy↗
NASA NTRS2011

Miniaturized Airborne Imaging Central Server System

In recent years, some remote-sensing applications require advanced airborne multi-sensor systems to provide high performance reflective and emissive spectral imaging measurement rapidly over large areas. The key or unique problem of characteristics is associated with a black box back-end system that operates a suite of cutting-edge imaging sensors to collect simultaneously the high throughput reflective and emissive spectral imaging data with precision georeference. This back-end system needs to be portable, easy-to-use, and reliable with advanced onboard processing. The innovation of the black box backend is a miniaturized airborne imaging central server system (MAICSS). MAICSS integrates a complex embedded system of systems with dedicated power and signal electronic circuits inside to serve a suite of configurable cutting-edge electro- optical (EO), long-wave infrared (LWIR), and medium-wave infrared (MWIR) cameras, a hyperspectral imaging scanner, and a GPS and inertial measurement unit (IMU) for atmospheric and surface remote sensing. Its compatible sensor packages include NASA s 1,024 1,024 pixel LWIR quantum well infrared photodetector (QWIP) imager; a 60.5 megapixel BuckEye EO camera; and a fast (e.g. 200+ scanlines/s) and wide swath-width (e.g., 1,920+ pixels) CCD/InGaAs imager-based visible/near infrared reflectance (VNIR) and shortwave infrared (SWIR) imaging spectrometer. MAICSS records continuous precision georeferenced and time-tagged multisensor throughputs to mass storage devices at a high aggregate rate, typically 60 MB/s for its LWIR/EO payload. MAICSS is a complete stand-alone imaging server instrument with an easy-to-use software package for either autonomous data collection or interactive airborne operation. Advanced multisensor data acquisition and onboard processing software features have been implemented for MAICSS. With the onboard processing for real time image development, correction, histogram-equalization, compression, georeference, and data organization, fast aerial imaging applications, including the real time LWIR image mosaic for Google Earth, have been realized for NASA fs LWIR QWIP instrument. MAICSS is a significant improvement and miniaturization of current multisensor technologies. Structurally, it has a complete modular and solid-state design. Without rotating hard drives and other moving parts, it is operational at high altitudes and survivable in high-vibration environments. It is assembled from a suite of miniaturized, precision-machined, standardized, and stackable interchangeable embedded instrument modules. These stackable modules can be bolted together with the interconnection wires inside for the maximal simplicity and portability. Multiple modules are electronically interconnected as stacked. Alternatively, these dedicated modules can be flexibly distributed to fit the space constraints of a flying vehicle. As a flexibly configurable system, MAICSS can be tailored to interface a variety of multisensor packages. For example, with a 1,024x1,024 pixel LWIR and a 8,984x6,732 pixel EO payload, the complete MAICSS volume is approximately 7x9x11 in. (=18x23x28 cm), with a weight of 25 lb (=11.4 kg).

Sun, Xiuhong↗
DOE OSTI2024

Near-field imaging of optical resonances in silicon metasurfaces using photoelectron microscopy

Precise control of light–matter interactions at the nanoscale lies at the heart of nanophotonics. However, experimental examination at this length scale is challenging since the corresponding electromagnetic near-field is often confined within volumes below the resolution of conventional optical microscopy. In semiconductor nanophotonics, electromagnetic fields are further restricted within the confines of individual subwavelength resonators, limiting access to critical light–matter interactions in these structures. In this work, we demonstrate that photoelectron emission microscopy (PEEM) can be used for polarization-resolved near-field spectroscopy and imaging of electromagnetic resonances supported by broken-symmetry silicon metasurfaces. We find that the photoemission results, enabled through an in situ potassium surface layer, are consistent with full-wave simulations and far-field reflectance measurements across visible and near-infrared wavelengths. In addition, we uncover a polarization-dependent evolution of collective resonances near the metasurface array edge taking advantage of the far-field excitation and full-field imaging of PEEM. Here, we deduce that coupling between eight resonators or more establishes the collective excitations of this metasurface. All told, we demonstrate that the high-spatial resolution hyperspectral imaging and far-field illumination of PEEM can be leveraged for the metrology of collective, non-local, optical resonances in semiconductor nanophotonic structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Disorder-induced magnetoelastic behaviors of MnTexSbyBi1-x-y alloys

This dataset contains input and output files from density functional theory (DFT) simulations used to study the disorder-induced magnetoelastic behaviors of MnTexSbyBi1-x-y (0 ≤ x + y ≤ 1) alloys and their binary end members MnTe, MnSb, and MnBi. The alloys adopt the hexagonal NiAs-type (nickeline) structure and span ternary (MnTexSb1-x, MnTexBi1-x, MnBixSb1-x), and quaternary compositions across the full MnTe–MnSb–MnBi composition triangle. For each alloy composition, the dataset provides DFT calculations in three magnetic configurations: A-type antiferromagnetic (AFM), C-type AFM, and ferromagnetic (FM). Every magnetic configuration folder contains the fully relaxed crystal structure (CONTCAR), VASP input parameters (INCAR), and the main VASP output file (OUTCAR), from which total electronic energies, Mn magnetic moments, lattice parameters, and percent volume changes between magnetic states are extracted. These data are used to construct compositional phase diagrams, evaluate thermodynamic stability (formability), and map magnetoelastic responses across the alloy space. For A-type AFM and FM configurations, additional data are provided as follows: (i) FORCE_CONSTANTS and thermal_properties.yaml files at the top level of A-type_AFM/ and FM/ folders — present only for compositions marked with an asterisk (*) in Table I of the main text. These are derived from Phonopy finite-displacement calculations on full disordered 128-atom supercells and provide vibrational free energy, entropy (Svib)contribution from explicit disorder calculations. (Table I of the associated main manuscript) (ii) A VCA/ subfolder within A-type_AFM/ and FM/, containing FORCE_CONSTANTS and thermal_properties.yaml from Virtual Crystal Approximation phonon calculations (without spin-orbit coupling). VCA data are available for all compositions and are used to estimate vibrational contributions to the Gibbs free energy across the full composition space. (iii) A SOC/ subfolder containing CONTCAR, INCAR, and OUTCAR from spin-orbit coupling calculations, providing relativistic corrections to electronic energies and lattice parameters (Tables S2–S3 of the SM, and Table I of the main manuscript). (iv) A SOC/VCA/ subfolder containing FORCE_CONSTANTS and thermal_properties.yaml from VCA phonon calculations performed within the SOC framework, combining relativistic and vibrational thermodynamic corrections. The computed properties are used to map the AFM–FM magnetic crossover near MnTe0.75Sb0.25, demonstrate disorder- and spin-induced phonon broadening, identify a semiconductor-to-metal crossover, and quantify the pronounced magnetoelastic volume response near the magnetic phase boundary.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Detecting thermodynamic phase transition via explainable machine learning of photoemission spectroscopy

Identifying thermodynamic signatures of electronic phases, such as superconductivity, is challenging in low-dimensional materials due to strong fluctuations and low probing volume. Spectroscopic methods are often used to identify new bulk phases, but their main measurable quantity—electronic energy gaps—is no longer an effective order parameter in low-dimensional and fluctuating systems. Combining angle-resolved photoemission with a domain-adversarial neural network, we report a data-driven method to identify thermodynamic phase transitions solely based on single-particle spectra. We demonstrate 97.6% accuracy in cuprate superconductor Bi 2 Sr 2 CaCu 2 O 8+δ with strong superconducting fluctuations. This model notably compensates for the scarcity of experimental data by leveraging virtually inexhaustible simulated data. Further, its explainability reveals the crucial role of in-gap spectral weight in detecting phase fluctuations and thermodynamic transitions. Our work pinpoints the spectroscopic signatures of fluctuating orders and enables using spectroscopy for machine-learning-assisted material discovery for low-dimensional and strong coupling systems.

2D materials↗
DOE OSTI2025

Experimental and Theoretical Confirmation of Covalent Bonding in α‐Pu

Plutonium's radioactivity provides functionality for nuclear batteries, nuclear reactors, etc., but its complex electronic properties harbor strongly correlated behavior giving rise to a host of interesting phenomena including the presence of a ca. 25% volume collapse between δ-Pu and α-Pu. The complex bonding environments of the ground state allotrope, α-Pu, serve as a unique testing ground for new computational and experimental approaches within the Pu science community. For the first time, a combination of novel ansatzes is used in all-electron density functional theory (DFT) and pair distribution functions (PDF) obtained from high-Q X-ray diffraction to study the bonding behavior in α-Pu. This first experimental and theoretical co-informed description of local bonding behavior for α-Pu reveals covalent bonds, which is a topic that remains of interest in this allotrope. The covalent bonding present at the atomistic level accounts for several of α-Pu's macropscopic properties (e.g., Poisson's ratio) that in turn explains its physical functionalities relative to other allotropic phases like δ-Pu.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Observation of the distribution of nuclear magnetization in a molecule

Precise experimental control and interrogation of molecules and calculations of their structure are enriching the investigation of nuclear and particle physics phenomena. Molecules containing heavy, octupole-deformed nuclei, such as radium, are of particular interest. Here, we report precision laser spectroscopy measurements and theoretical calculations of the structure of the radioactive radium monofluoride molecule 225 Ra 19 F. Our results reveal fine details of the short-range electron-nucleus interaction, indicating the high sensitivity of this molecule to the distribution of magnetization, within the radium nucleus. Here, these results provide a stringent test of the description of the electronic wave function inside the nuclear volume, highlighting the suitability of these molecules for investigating subatomic phenomena.

Nuclear structure↗