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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 1,765 records · Page 98
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Ion beam deposited silicon carbide on glass optics and replica gratings

The results of an attempt to coat optical flats and replace echelle gratings with ion-deposited SiC are reported. Deposition was performed by bombarding a SiC target with an ion beam angled 45 deg relative to the target. Half the target was covered with stainless steel to furnish a comparison opportunity. After precleaning SiC coatings of 300-2200 A thickness were deposited. The specimens had previously been coated with either Au or Al or were left blank. Reflectance and diffraction data were taken of the finished flats and gratings. The SiC-coated flats performed as well as uncoated flats while the echelles exhibited deteriorating performance with increasing coating thickness. Further studies are indicated on the effect of coating thickness on surface roughness.

Windt, D. L.↗
NASA NTRS2021

ORCAS – Orbiting Configurable Artificial Star Mission Architecture

In this paper, we establish the mission operation concept for the Orbiting Configurable Artificial Star mission, a hybrid space-ground observatory, which aims to enable ground observations of near-diffraction limited resolution and exquisite sensitivity. We present the mission requirements, introduce a potential orbit solution that can meet them, detail the concrete operational steps to be taken to enable such observations, and develop a mission planning tool which generates a mission schedule that meets all mission requirements and can be altered in real time in the case of disruptions to the mission. Finally, we show the the mission could enable 300 adaptive optics and 1500 flux calibration observations throughout its lifetime.

Eliad Peretz↗
DOE OSTI2023

The high intensity diffractometer for residual stress analysis (HIDRA), a third generation residual stress mapping neutron diffractometer at the high flux isotope reactor

This paper describes the hardware and software upgrades, operation, and performance of the high intensity diffractometer for residual stress analysis (HIDRA) instrument, a residual stress mapping neutron diffractometer located at the High Flux Isotope Reactor at Oak Ridge National Laboratory in Oak Ridge Tennessee, USA. Following a major upgrade in 2018, the new instrument has a single 3 He multiwire 2D 30 × 30 cm 2 position sensitive detector, yielding a field of view of 17° 2θ. Further, the increase in the field of view (from 4° 2θ) from the previous model instrument has contributed to the tremendous improvement in the out of plane solid angle such that the 3D count rate could be obtained easily. Accordingly, the hardware, software, Data Acquisition System (DAS), and so on have also been updated. Finally, all these enhanced features of HIDRA have been ably demonstrated by conducting multi directional diffraction measurements in the quenched 750-T74 aluminum, and the evolved and improved strain/stress mappings are presented.

3D printing↗
DOE OSTI2022

Accurate quantification of lattice temperature dynamics from ultrafast electron diffraction of single-crystal films using dynamical scattering simulations

In ultrafast electron diffraction (UED) experiments, accurate retrieval of time-resolved structural parameters, such as atomic coordinates and thermal displacement parameters, requires an accurate scattering model. Unfortunately, kinematical models are often inaccurate even for relativistic electron probes, especially for dense, oriented single crystals where strong channeling and multiple scattering effects are present. This article introduces and demonstrates dynamical scattering models tailored for quantitative analysis of UED experiments performed on single-crystal films. As a case study, we examine ultrafast laser heating of single-crystal gold films. Comparison of kinematical and dynamical models reveals the strong effects of dynamical scattering within nm-scale films and their dependence on sample topography and probe kinetic energy. Applying to UED experiments on an 11 nm thick film using 750 keV electron probe pulses, the dynamical models provide a tenfold improvement over a comparable kinematical model in matching the measured UED patterns. Also, the retrieved lattice temperature rise is in very good agreement with predictions based on previously measured optical constants of gold, whereas fitting the Debye–Waller factor retrieves values that are more than three times lower. Altogether, these results show the importance of a dynamical scattering theory for quantitative analysis of UED and demonstrate models that can be practically applied to single-crystal materials and heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Intercalation-Induced Reversible Electrochromic Behavior of Two-Dimensional Ti 3 C 2 T x MXene in Organic Electrolytes

MXenes, a large family of two-dimensional materials, have attracted tremendous attention due to their unique physical and chemical properties. Reversible ion intercalation between MXene layers allows modification of the optical, thermal, magnetic, and chemical properties. The electrochemical charge/discharge of MXenes in aqueous electrolytes was reported to lead to reversible electrochromic behavior. In this work, the electrochromic effect of semitransparent Ti 3 C 2 T x MXene film was probed by electrochemical intercalation of Li ions. Correspondingly, a peak shift of 100 nm was observed in the UV-vis spectrum. By combining in-situ Raman spectroscopy, in-situ X-ray diffraction, and density functional theory calculations, we show that the electrochromic shift is primarily due to the formation of robust O-Li bonds and the emerging bands induced changes of inter-band excitations. Finally, understanding the mechanism of electrochromic behavior in Ti 3 C 2 T x lays the foundations of designating 2D materials with durable, controllable, and efficient intercalation-induced electrochromic behaviors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Structural features of early fuel cycle taggant incorporation for intentional nuclear forensics

To develop strategies for incorporating transition metal taggants (Fe, Cr, and Ni) into oxide fuels and to understand how these taggant candidates persist through early fuel cycle processes, synthetic procedures are modified from established production routes to yield intentionally tagged early fuel cycle intermediates including uranyl nitrate hexahydrate (UNH, UO 2 (NO 3 ) 2 ·6H 2 O), uranyl peroxide tetrahydrate (studtite, UO 2 O 2 ·4H 2 O), and uranyl peroxide dihydrate (metastudtite, UO 2 O 2 ·2H 2 O). First, Fe, Cr, and Ni nitrate solutions are introduced to an aqueous solution of UNH followed by precipitation to produce tagged UNH. Then, studtite is precipitated from UNH followed by dehydration to metastudtite. Structural influences of taggant incorporation within all synthesized phases are investigated using powder X-ray diffraction (PXRD) and Raman spectroscopy to provide insight into crystallographic modifications resulting from the addition of tags to these early fuel cycle materials and elucidate the chemical form of taggants introduced at these stages. The possibility of segregation of taggant species into discrete phases within U matrices was examined using scanning electron microscopy with energy dispersive X-ray spectroscopy. Taggant concentrations in solid-phase materials were determined using inductively coupled plasma-optical emission spectroscopy. Observations from Raman spectroscopy and PXRD indicate that introducing transition metal tags during uranyl nitrate precipitation results in potential impurity phase segregation in UNH, but transition metal incorporation is suggested by results for tagged uranyl peroxide materials. Further, results from this study will inform strategies for optimizing taggant incorporation in UO 2 .

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Epitaxial PbGeSe thin films and their photoluminescence in the mid-wave infrared

PbSe is a narrow bandgap IV–VI compound semiconductor with application in mid-wave infrared optoelectronics, thermoelectrics, and quantum devices. Alkaline-earth or rare-earth elements such as Sr and Eu can substitute Pb to widen the bandgap of PbSe in heterostructure devices, but they come with challenges such as deteriorating optical and electronic properties, even in dilute concentrations due to their dissimilar atomic nature. We substitute Pb instead with column IV Ge and assess the potential of rocksalt phase PbGeSe as a wider bandgap semiconductor in thin films grown by molecular beam epitaxy on GaAs substrates. Low sticking of GeSe adatoms requires synthesis temperatures below 260 °C to incorporate Ge, but this yields poor structural and compositional uniformity as determined by x-ray diffraction. Consequently, as-grown films in the range Pb0.94Ge0.06Se–Pb0.83Ge0.17Se (6%–17% Ge) show much less bandgap widening in photoluminescence than prior work on bulk crystals using absorption. We observe that post-growth rapid thermal annealing at temperatures of 375–450 °C improves the crystal quality and recovers bandgap widening. Rapid interdiffusion of Ge during annealing, however, remains a challenge in harnessing such PbGeSe materials for compositionally sharp heterostructures. Annealed 17% Ge films emit light at 3–3.1 μm with a minimal shift in wavelength vs temperature. These samples are wider in bandgap than PbSe films by 55 meV at room temperature, and the widening increases to 160 meV at 80 K, thanks to sharply different dependence of bandgap on temperature in PbSe vs PbGeSe.

Xiao, Kelly (ORCID:0000000321000838)↗
DOE OSTI2024

Isotropic negative thermal expansion in ZrW 2 O 8 and HfW 2 O 8 from 1100 to 1275°C

Abstract ZrW 2 O 8 (ZrO 2 •2WO 3 ) and HfW 2 O 8 (HfO 2 •2WO 3 ) have been the focus of thermal expansion studies due to their isotropic negative thermal expansion (NTE) measured previously at temperatures below 775°C. This work presents measurements of these materials at their thermodynamically stable temperature ranges of 1105 and 1257°C for ZrW 2 O 8 and 1105–1276°C for HfW 2 O 8 , where they were characterized with in situ, powder X‐ray diffraction. The linear coefficients of thermal expansion were measured to be −5.52 × 10 −6 and −4.87 × 10 −6 °C −1 for ZrW 2 O 8 and HfW 2 O 8 , respectively. The mechanism leading to this NTE is discussed. Powder samples were synthesized by a solution‐based process called the organic–inorganic steric entrapment method. In situ characterization in air was carried out at the National Synchrotron Light Source II using a hexapole lamp, optical furnace and the Advanced Photon Source using a quadrupole lamp, optical furnace to achieve elevated temperatures.

Materials Science↗
NASA NTRS1979

Applications of high power lasers

The use of computer generated, reflection holograms in conjunction with high power lasers for precision machining of metals and ceramics was investigated. The Reflection holograms which were developed and made to work at both optical wavelength (He-Ne, 6328 A) and infrared (CO2, 10.6) meet the primary practical requirement of ruggedness and are relatively economical and simple to fabricate. The technology is sufficiently advanced now so that reflection holography could indeed be used as a practical manufacturing device in certain applications requiring low power densities. However, the present holograms are energy inefficient and much of the laser power is lost in the zero order spot and higher diffraction orders. Improvements of laser machining over conventional methods are discussed and addition applications are listed. Possible uses in the electronics industry include drilling holes in printed circuit boards making soldered connections, and resistor trimming.

Angus, J. C.↗
NASA NTRS2004

Wide Angle Liquid Crystal Optical Phased Array

Accurate modeling of a high resolution, liquid crystal (LC) based, optical phased array (OPA) is shown. The simulation shows excellent agreement with a test 2-D LC OPA. The modeling method is extendable to cases where the array element size is close to the wavelength of light. The fringing fields of such a device are first studied, and subsequently reduced. This results in a device that demonstrates plus or minus 7.4 degrees of continuous beam steering at a wavelength of 1550 nm, and a diffraction efficiency (DE) higher than 72%.

Wang, Xing-Hua↗
NASA NTRS2002

Residual wave front phase estimation in the reimaged lyot plane for the eclipse coronographic telescope

Coronagraphs for extra-solar planet detection remove diffracted stellar light through the combination of a coronagraphic mask and a Lyot stop. When the entrance pupil contains a nearly perfect wave fiont, most of the stellar light is absorbed at the mask. Light scattered around the spot due to mid- and high-spatial frequency phase errors in the pupil appears at the Lyot plane as speckles whose amplitudes are proportional to the local wave front phase residuals. The speckles scale with optical wavelength but are not radially smeared. The Eclipse deformable mirror (DM) can be used to modify the Lyot amplitude distribution, providing a simple means of estimating the residual phase content and controlling the wave front. To reduce the detrimental noise carried by uncontrollable high-spatial frequency wave front components, theLyot plane signal is filtered at the science plane to pass only the controllable spatial frequencies that contribute to the dark hole. The Lyot stop is then reimaged onto a detector. We demonstrate through simulations that this approach signiscantly improves the signal-to-noise ratio of the planet measurement.

coronagraph wave front sensing wave front control↗
NASA NTRS2014

James Webb Space Telescope: The First Light Machine

NASA James Webb Space Telescope (JWST) will search for the first luminous objects of the Universe to help answer fundamental questions about how the Universe came to look like it does today. At 6.5 meters in diameter, JWST will be the world's largest space telescope. Its architecture, e.g. aperture, wavelength range and operating temperature, is driven by JWST's science objectives. Introduction: Scheduled to start its 5 year mission after 2018, JWST will study the origin and evolution of galaxies, stars and planetary systems. Its science mission is to: Identify the first bright objects that formed in the early Universe, and follow the ionization history. Determine how galaxies form. Determine how galaxies and dark matter, including gas, stars, metals, overall morphology and active nuclei evolved to the present day. Observe the birth and early development of stars and the formation of planets. And, study the physical and chemical properties of solar systems for the building blocks of Life. Principle: To accomplish the JWST science objectives requires a larger aperture infrared cryogenic space telescope. A large aperture is required because the objects are very faint. The infrared spectral range is required because the objects are so far away that their ultraviolet and visible wavelength spectral lines are red-shifted into the infrared. Because the telescope is infrared, it needs to be cryogenic. And, because of the telescope is infrared, it must operate above the Earth's atmosphere, i.e. in space. JWST is probably the single most complicated mission that humanity has attempted. It is certainly the most difficult optical fabrication and testing challenge of our generation. The JWST 6.5 m diameter primary mirror is nearly a parabola with a conic constant of -0.9967 and radius of curvature at 30K of 15.880 m. The primary mirror is divided into 18 segments with 3 different prescriptions; each with its own off-axis distance and aspheric departure. The radius of curvature for all 18 segments must match to +/- 0.150 mm at 30K. JWST is diffraction limited at 2 micrometers which translates into a transmitted wavefront specification of 156 nm rms. Of that amount, 50 nm rms is allocated to the primary mirror. Each segment is allocated 22 nm rms surface error. At the start of the JWST program, the capability to make such a mirror did not exist. In 1996, NASA began a systematic and comprehensive mirror technology development effort which resulted in JWST. This program resulted in a qualified mirror fabrication process being approved in 2006. Today, all JWST primary mirror segments meet their requirements and are on schedule for a 2018 launch. The next step is system level assembly, integration and test. Ambient tests will be conducted at Goddard Space Flight Center and cryogenic system level testing will be performed in Chamber A at the Johnson Space Center.

Stahl, H. Philip↗
DOE OSTI2020

Polyhydrido Copper Nanoclusters with a Hollow Icosahedral Core: [Cu 30 H 18 {E 2 P(OR) 2 } 12 ] (E=S or Se; R= n Pr, i Pr or i Bu)

Although atomically precise polyhydrido copper nanoclusters are of prime interest for a variety of applications, they have so far remained scarce. Here, we describe the synthesis of a dithiophosphate-protected copper(I) hydride-rich nanocluster (NC), [Cu 30 H 18 {S 2 P(O n Pr) 2 } 12 ] ( 1 H ), fully characterized by various spectroscopic methods and single-crystal X-ray diffraction. The X-ray structure of 1 H reveals an unprecedented central Cu 12 hollow icosahedron. Six faces of this icosahedron are capped by Cu 3 triangles, the whole Cu 30 core being wrapped by twelve dithiophosphate ligands and the whole cluster has ideal S 6 symmetry. The locations of the 18 hydrides in 1 H were ascertained by a single-crystal neutron diffraction study. They are composed of three types: capping μ 3 -H, interstitial μ 4 -H (seesaw) and μ 5 -H ligands (square pyramidal), in good agreement with the DFT simulations. The numbers of hydrides and ligand resonances in the 1 H NMR spectrum of 1 H are in line with their coordination environment in the solid state, retaining the S 6 symmetry in solution. Furthermore, two new Se-protected polyhydrido copper nanoclusters, [Cu 30 H 18 {Se 2 P(OR) 2 } 12 ] ( 2 H : R= i Pr 3 H : R= i Bu) were synthesized from their sulfur relative 1 H via ligand displacement reaction and their X-ray structures feature the exceptional case where both the NC shape and size are fully conserved during the course of ligand exchange. DFT and TD-DFT calculations allow understanding the bonding and optical properties of clusters 1 H – 3 H . In addition, the reaction of 1 H with [Pd(PPh 3 ) 2 Cl 2 ] in the presence of terminal alkynes led to the formation of new bimetallic Cu–Pd alloy clusters [PdCu 14 H 2 {S 2 P(O n Pr) 2 } 6 (C≡CR) 6 ] ( 4 : R=Ph; 5 : R = C 6 H 4 F).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Direct observation of strain-enhanced hydrogen segregation and failure at high-angle grain boundaries in nickel

Understanding the mechanisms underlying hydrogen embrittlement remains difficult, even in single-element metals. Both microstructure and stress state influence hydrogen distribution in metals and alloys, which impacts deformation and failure. Here, in this work, we use in-situ Kelvin probe force microscopy (KPFM) to monitor the hydrogen distribution in pure nickel over time at 1.1 % and 3.5 % strain. The sample strained to 3.5 % results in preferential hydrogen segregation to high-angle grain boundaries whereas the sample strained to 1.1 % does not exhibit preferential hydrogen segregation. Optical digital image correlation (DIC) shows that hydrogen charging results in both localized and reduced strains during tensile testing of a notched sample. Later stages of deformation and failure (e.g. microcracking) are studied by using in-situ transmission X-ray microscopy (TXM). TXM reveals nanoscale structural changes to a propagating crack in a hydrogen environment. Localized void growth and secondary cracking occur at grain boundaries near the primary crack front. Correlative electron backscattering diffraction (EBSD) is used to relate the cracking at grain boundaries to the hydrogen segregation observed in KPFM. These findings are unified in a proposed hydrogen embrittlement mechanism that describes the interaction of hydrogen with grain boundaries, and the role of grain boundaries in hydrogen embrittlement.

Grain boundary fracture↗
DOE OSTI2025

3D strain field reconstruction by inversion of dynamical scattering

Strain governs not only the mechanical response of materials but also their electronic, optical, and catalytic properties. For this reason, the measurement of the 3D strain field is crucial for a detailed understanding and for further development of material properties through strain engineering. However, measuring strain variations along the electron beam direction has remained a major challenge for (scanning-) transmission electron microscopy (S/TEM). In this article, we present a method for 3D strain field determination using 4D-STEM. The method is based on the inversion of dynamical diffraction effects, which occur at strain field variations along the beam direction. We test the method against simulated data with a known ground truth and demonstrate its application to an experimental 4D-STEM dataset from an inclined pseudomorphically grown Al0.47Ga0.53N layer.

Niermann, Laura↗
DOE OSTI2024

Disorder and diffuse scattering in single-chirality (TaSe 4 ) 2 ⁢I crystals

The quasi-one-dimensional chiral compound (TaSe 4 ) 2 I has been extensively studied as a prime example of a topological Weyl semimetal. Upon crossing its phase transition temperature $T$ CDW ≈263K, (TaSe 4 ) 2 I exhibits incommensurate charge density wave (CDW) modulations described by the well-defined propagation vector ∼(0.05,0.05,0.11), oblique to the TaSe 4 chains. Although optical and transport properties greatly depend on chirality, there is no systematic report about chiral domain size for (TaSe 4 ) 2 I. In this study, our single-crystal scattering refinements reveal a bulk iodine deficiency, and Flack parameter measurements on multiple crystals demonstrate that separate (TaSe 4 ) 2 I crystals have uniform handedness, supported by direct imaging and helicity-dependent terahertz emission spectroscopy. Our single-crystal x-ray scattering and calculated diffraction patterns identify multiple diffuse features and create a real-space picture of the temperature-dependent (TaSe 4 ) 2 I crystal structure. Further, the short-range diffuse features are present at room temperature and decrease in intensity as the CDW modulation develops. These transverse displacements, along with electron pinning from the iodine deficiency, help explain why (TaSe 4 ) 2 I behaves as an electronic semiconductor at temperatures above and below $T$ CDW , despite a metallic band structure calculated from density functional theory of the ideal structure.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Synthesis of inter‐lanthanide sesquioxides LnLn'O 3 by polymeric steric entrapment

Lanthanide oxides are well known in the fields of optical, electronic, and magnetic materials. Even so, there are many application spaces yet to be explored. Previous modeling of inter-lanthanide sesquioxides, in which the compound contains two lanthanide cations, predicts the lowest level energy structure as a function of chemistry, which this work seeks to verify. Three materials of interest, ErLuO 3 , LaLuO 3 , and SmLuO 3 , were synthesized for the first time by the polymeric steric entrapment (PSE) method. X-ray diffraction confirms the stable state predictions of ErLuO 3 and SmLuO 3 forming a bixbyite type structure and LaLuO 3 forming a perovskite type structure. This work demonstrates PSE as a viable and reliable route toward the synthesis of these unique materials.

36 MATERIALS SCIENCE↗
NASA NTRS2008

Design Study of an 8 Meter Monolithic Mirror UV/Optical Space Telescope

This paper will review a recent NASA MSFC preliminary study that demonstrated the feasibility of launching a 6 to 8 meter class monolithic primary mirror telescope to Sun-Earth L2 using an Ares V. The study started with the unique capabilities of the Ares V vehicle and examined the feasibility of launching a large aperture low cost low risk telescope based on a conventional ground based glass primary mirror. Specific technical areas studied included optical design; structural design/analysis including primary mirror support structure, sun shade and secondary mirror support structure; thermal analysis; launch vehicle performance and trajectory; spacecraft including structure, propulsion, GN & C, avionics, power systems and reaction wheels; operations & servicing, mass budget and system cost. The study telescope was an on-axis three-mirror anastigmatic design with a fine steering mirror. The observatory has a 100 arc-minute (8.4 X 12 arc-minutes) of diffraction limited field of view at a wavelength les than 500 nm. The study assumed that the primary mirror would be fabricated from an existing Schott Zerodur residual VLT blank edged to 6.2 meters, 175 mm thick at the edge with a mass of 11,000 kg. The entire mass budget for the observatory including primary mirror, structure, light baffle tube, instruments, space craft, avionics, etc. is less than 40,000 kg - a 33% mass margin on the Ares V's 60,000 kg Sun-Earth L2 capability. An 8 meter class observatory would have a total mass of less than 60,000 kg of which the primary mirror is the largest contributor.

Stahl, H. Philip↗