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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Disorder Dynamics in Battery Nanoparticles During Phase Transitions Revealed by Operando Single-Particle Diffraction

Structural and ion-ordering phase transitions limit the viability of sodium-ion intercalation materials in grid scale battery storage by reducing their lifetime. However, the combination of phenomena in nanoparticulate electrodes creates complex behavior that is difficult to investigate, especially on the single-nanoparticle scale under operating conditions. In this work, operando single-particle X-ray diffraction (oSP-XRD) is used to observe single-particle rotation, interlayer spacing, and layer misorientation in a functional sodium-ion battery. oSP-XRD is applied to Na 2/3 [Ni 1/3 Mn 2/3 ]O 2 , an archetypal P2-type sodium-ion-positive electrode material with the notorious P2-O2 phase transition induced by sodium (de)intercalation. Here, it is found that during sodium extraction, the misorientation of crystalline layers inside individual particles increases before the layers suddenly align just prior to the P2-O2 transition. The increase in the long-range order coincides with an additional voltage plateau signifying a phase transition prior to the P2-O2 transition. To explain the layer alignment, a model for the phase evolution is proposed that includes a transition from localized to correlated Jahn-Teller distortions. The model is anticipated to guide further characterization and engineering of sodium-ion intercalation materials with P2-O2 type transitions. oSP-XRD, therefore, opens a powerful avenue for revealing complex phase behavior in heterogeneous nanoparticulate systems.

25 ENERGY STORAGE↗
DOE OSTI2024

A method for crystallographic mapping of an alpha-beta titanium alloy with nanometre resolution using scanning precession electron diffraction and open-source software libraries

An approach for the crystallographic mapping of two-phase alloys on the nanoscale using a combination of scanned precession electron diffraction and open-source python libraries is introduced in this paper. This method is demonstrated using the example of a two-phase α/β titanium alloy. The data were recorded using a direct electron detector to collect the patterns, and recently developed algorithms to perform automated indexing and analyse the crystallography from the results. Very high-quality mapping is achieved at a 3 nm step size. The results show the expected Burgers orientation relationships between the α laths and β matrix, as well as the expected misorientations between α laths. A minor issue was found that one area was affected by 180° ambiguities in indexing occur due to this area being aligned too close to a zone axis of the α with twofold projection symmetry (not present in 3D) in the zero-order Laue Zone, and this should be avoided in data acquisition in the future. Nevertheless, this study demonstrates a good workflow for the analysis of nanocrystalline two- or multi-phase materials, which will be of widespread use in analysing two-phase titanium and other systems and how they evolve as a function of thermomechanical treatments.

36 MATERIALS SCIENCE↗
DOE OSTI2022

On the efficacy of post-build thermomechanical treatments to improve properties of Zirconium fabricated using ultrasonic additive manufacturing

Here, hot-isostatic pressing has been applied to Zirconium plate fabricated using the ultrasonic additive manufacturing (UAM) technique to enhance interfacial bond quality. Specimens heated to 800 C for 1 h at 100 MPa pressure showed grain growth across many prior foil-to-foil interfaces, thereby increasing foil adhesion. In addition to the material softening induced by a loss of Hall-Petch strengthening, premature failure of specimens loaded parallel to the build direction was observed. Premature specimen failure was attributed to the local delamination at prior foil-to-foil boundaries where grain growth was pinned by Ti impurities introduced during the UAM process via the interaction between a Ti-alloy buffer foil and the welded Zr-foils underneath. In addition, the presence of Ti along select foil interfaces resulted in the nucleation and growth of secondary (Zr,Ti)(Fe,Cr) laves phases during higher-temperature thermomechanical processing. Using a combination of micro-scale X-ray computed tomography, fractography, and in-situ digital image correlation, the effect of defects along prior foil-to-foil boundaries was revealed as delamination-assisted plasticity accelerated specimen failure in preferred tensile orientations. These findings underscore the importance of impurity control when optimizing weld quality of higher-strength material systems using ultrasonic welding.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Nonequilibrium dynamics of spontaneous symmetry breaking into a hidden state of charge-density wave

Abstract Nonequilibrium phase transitions play a pivotal role in broad physical contexts, from condensed matter to cosmology. Tracking the formation of nonequilibrium phases in condensed matter requires a resolution of the long-range cooperativity on ultra-short timescales. Here, we study the spontaneous transformation of a charge-density wave in CeTe 3 from a stripe order into a bi-directional state inaccessible thermodynamically but is induced by intense laser pulses. With ≈100 fs resolution coherent electron diffraction, we capture the entire course of this transformation and show self-organization that defines a nonthermal critical point, unveiling the nonequilibrium energy landscape. We discuss the generation of instabilities by a swift interaction quench that changes the system symmetry preference, and the phase ordering dynamics orchestrated over a nonadiabatic timescale to allow new order parameter fluctuations to gain long-range correlations. Remarkably, the subsequent thermalization locks the remnants of the transient order into longer-lived topological defects for more than 2 ns.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Unveiling a high capacity multi-redox (Nb 5+ /Nb 4+ /Nb 3+ ) NASICON-Nb 2 (PO 4 ) 3 anode for Li- and Na-ion batteries

Sodium superionic conductor (NASICON)-type materials are widely explored as Li- and Na-ion cathodes and solid-state electrolytes but are largely ignored as anodes due to their lower capacities and higher intercalation voltages, which reduce the overall energy densities of Li- and Na-ion batteries (LIBs and SIBs). Herein, we unveil high capacity multi-redox empty NASICON-Nb 2 (PO 4 ) 3 as a potential anode material for LIBs and SIBs, which reversibly delivers 167 and 150 mA h g -1 at the average voltages of 1.86 V vs. Li + /Li 0 and 1.46 V vs. Na + /Na 0 , respectively. The Li and Na intercalation reactions proceed via multiple phase transitions, leading to short-range ordered Li 3 Nb 2 (PO 4 ) 3 and triclinic (P$\overline{1}$ with combining macron]) Na 3 Nb 2 (PO 4 ) 3 , as revealed by in situ X-ray diffraction studies. Our density functional theory calculations are also in agreement with the in situ measurements in predicting a stable Na 3 Nb 2 (PO 4 ) 3 composition in the Na–Nb 2 (PO 4 ) 3 pseudo-binary system. X-ray absorption spectroscopy confirms the participation of multi-redox Nb 5+ /Nb 4+ /Nb 3+ couples. The Nb 2 (PO 4 ) 3 anode delivers capacities greater than 124 and 106 mA h g -1 at 1C rate in Li and Na cells, respectively. In conclusion, pairing Nb 2 (PO 4 ) 3 with suitable cathodes and electrolytes can lead to high energy density batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Characterization of Mn 5 Ge 3 Contacts on a Shallow Ge/SiGe Heterostructure

Mn 5 Ge 3 is a ferromagnetic phase of the Mn-Ge system that is a potential contact material for efficient spin injection and detection. Here, we investigate the creation of Mn 5 Ge 3 -based contacts on a Ge/SiGe quantum well heterostructure via solid-state synthesis. X-ray diffraction spectra fitting indicates the formation of Mn 5 Ge 3 -based contacts on bulk Ge and Ge/SiGe. High-resolution scanning transmission electron microscopy imaging and energy dispersive X-ray spectroscopy verify the correct Mn 5 Ge 3 -based phase formation. Schottky diode measurements, transmission line measurements, and Hall measurements reveal that Mn 5 Ge 3 -based contacts serve as good p-type contacts for Ge/SiGe quantum well heterostructures due to having a low Schottky barrier height of 0.10 eV (extracted from a Mn 5 Ge 3 /n-Ge analogue) and a contact resistance in the order of 1 kΩ. Furthermore, we show that these electrical characteristics have a gate-voltage dependence, thereby providing tunability.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Optical measurements of the droplet size distribution in the case of fuel atomization in swirl nozzles and planar airblast diffusers

The theoretical principles of optical methods for the determination of the particle sizes of sprays are considered and aspects of the experimental implementation of these principles are discussed. An experimental device for point-intensity measurements makes use of a helium-neon laser. The cross-sectional area of the laser beam is enlarged with the aid of a lens system to the size of the measurement cross-section. The intensity of the laser light scattered by the spray particles is measured as a function of light direction. Approaches which take into account the total energy of the diffractively scattered light are also discussed and an investigation is conducted regarding the measurement error sources. A description is presented of experimental results obtained in studies of a number of fuel nozzle sprays.

Kayser, A.↗
NASA NTRS1987

Advanced hydrogen electrode for hydrogen-bromide battery

Binary platinum alloys are being developed as hydrogen electrocatalysts for use in a hydrogen bromide battery system. These alloys were varied in terms of alloy component mole ratio and heat treatment temperature. Electrocatalyst evaluation, performed in the absence and presence of bromide ion, includes floating half cell polarization studies, electrochemical surface area measurements, X ray diffraction analysis, scanning electron microscopy analysis and corrosion measurements. Results obtained to date indicate a platinum rich alloy has the best tolerance to bromide ion poisoning.

Kosek, Jack A.↗
NASA NTRS1988

Crystal growth of CdTe in space and thermal field effects on mass flux and morphology

The primary, long-range goals are the development of vapor phase crystal growth experiments, and the growth of technologically useful crystals in space. The necessary ground-based studies include measurements of the effects of temperature variations on the mass flux and crystal morphology in vapor-solid growth processes. For in-situ mass flux measurements dynamic microbalance techniques will be employed. Crystal growth procedures and equipment will be developed to be compatible with microgravity conditions and flight requirements. Emphasis was placed on the further development of crystal growth and the investigation of relevant transport properties of CdTe. The dependence of the mass flux on source temperature was experimentally established. The CdTe synthesis and pretreatment procedures are being developed that yield considerable improvements in mass transport rates, and mass fluxes which are independent of the amount of source material. A higher degree of stoichiometric control of CdTe than before was achieved during this period of investigation. Based on this, a CdTe crystal growth experiment, employing physical vapor transport, yielded very promising results. Optical microscopy and X-ray diffraction studies revealed that the boule contained several large sized crystal grains of a high degree of crystallinity. Further characterization studies of CdTe crystals are in progress. The reaction chamber, furnace dimensions, and ampoule location of the dynamic microbalance system were modified in order to minimize radiation effects on the balance performance.

Wiedemeier, H.↗
NASA NTRS1994

Advanced technology for a satellite multichannel demultiplexer/demodulator

Satellite on-board processing is needed to efficiently service multiple users while at the same time minimizing earth station complexity. The processing satellite receives a wideband uplink at 30 GHz and down-converts it to a suitable intermediate frequency. A multichannel demultiplexer then separates the composite signal into discrete channels. Each channel is then demodulated by bulk demodulators, with the baseband signals routed to the downlink processor for retransmission to the receiving earth stations. This type of processing circumvents many of the difficulties associated with traditional bent-pipe repeater satellites. Uplink signal distortion and interference are not retransmitted on the downlink. Downlink power can be allocated in accordance with user needs, independent of uplink transmissions. This allows the uplink users to employ different data rates as well as different modulation and coding schemes. In addition, all downlink users have a common frequency standard and symbol clock on the satellite, which is useful for network synchronization in time division multiple access schemes. The purpose of this program is to demonstrate the concept of an optically implemented multichannel demultiplexer (MCD). A proof-of-concept (POC) model has been developed which has the ability to receive a 40 MHz wide composite signal consisting of up to 1000 40 kHz QPSK modulated channels and perform the demultiplexing process. In addition a set of special test equipment (STE) has been configured to evaluate the performance of the POC model. The optical MCD is realized as an acousto-optic spectrum analyzer utilizing the capability of Bragg cells to perform the required channelization. These Bragg cells receive an optical input from a laser source and an RF input (the signal). The Bragg interaction causes optical output diffractions at angles proportional to the RF input frequency. These discrete diffractions are optically detected and output to individual demodulators for baseband conversion. Optimization of the MCD design was conducted in order to achieve a compromise between two opposing sources of signal degradation: adjacent channel interference and intersymbol interference. The system was also optimized to allow simple, inexpensive ground stations communications with the MCD. These design goals led to the realization of a POC MCD which demonstrates the demultiplexing function with minimal signal degradation. Performance evaluation results using the STE equipment indicate that the dynamic range of the demultiplexer in the presence of adjacent and multiple channel loading is 40 - 50 dB. Measured bit error rate (BER) probabilities varied from the predicted theoretical results by one dB or less. The performance of the proof-of-concept model indicate that the development of a space qualified optically implemented MCD are feasible. The advantages to such an implementation include reduced size, weight and power and increased reliability when compared with electronic approaches. All of these factors are critical to on-board satellite processors. Further optimization can be conducted which trade ground station complexity and MCD performance to achieve desired system results.

Abramovitz, Irwin J.↗
NASA NTRS1999

Scanning Mode Shock Position Sensor Invented and Demonstrated

A flow-visualizing system with a scanning optical beam offers greater advantages than the conventional approaches. In addition to a higher signal-to-noise ratio and lower source power, the scanning permits visualization of weak phenomena such as the scattering and diffraction of light on shocks. Scanning beam flow-visualization techniques were evaluated at the NASA Lewis Research Center for shock position sensing. In an effort to eliminate moving parts, a spectral scanning technique was invented and demonstrated.

Adamovsky, Grigory↗
NASA NTRS2008

Effect of Upper-Cycle Temperature on the Load-Biased, Strain-Temperature Response of NiTi

Over the past decade, interest in shape memory alloy based actuators has increased as the primary benefits of these solid-state devices have become more apparent. However, much is still unknown about the characteristic behavior of these materials when used in actuator applications. Recently we have shown that the maximum temperature reached during thermal cycling under isobaric conditions could significantly affect the observed mechanical response of NiTi (55 wt% Ni), especially the amount of transformation strain available for actuation and thus work output. This investigation extends that original work to ascertain whether further increases in the upper-cycle temperature would produce additional improvement in the work output of the material, which has a stress-free Af of 113 oC, and to determine the optimum cyclic conditions. Thus, isobaric, thermal-cycle experiments were conducted in the aforementioned alloy at various stress levels from 50-300 MPa using upper-cycle temperatures of 165, 200, 230, 260, 290, 320 and 350 oC. The data indicated that the amount of applied stress influenced the transformation strain available in the system, as would be expected. However, the maximum temperature reached during the thermal excursion also plays a role in determining the transformation strain, with the maximum transformation strain being developed by thermal cycling to 290 oC. In situ, neutron diffraction showed that the differences in transformation strain were related to differences in martensite texture within the microstructure when cycling to different upper-cycle temperatures. Hence, understanding this effect is important to optimizing the operation of SMA-based actuators and could lead to new methods for processing and training shape memory alloys for optimal performance.

Padula, Santo, II↗
NASA NTRS2018

Optical Budgeting for LUVOIR

Future large astronomical telescopes in space will have architectures that will have complex and demanding requirements to meet the science goals. The Large UV/Optical/IR Surveyor (LUVOIR) mission concept being assessed by the NASA/Goddard Space Flight Center is expected to be 8 to 16 meters in diameter, have a segmented primary mirror, active control, and be diffraction limited at a wavelength of 500 nanometers. The optical stability is expected to be in the picometer range for minutes to hours. Architecture studies to support the NASA Science and Technology Definition teams (STDTs) are underway to evaluate systems performance. A wave front error budget has been developed to help define the technology needs and assess performance. The budget includes both spatial and temporal domain aspects for the active, adaptive and passive elements in the optical design.

space telescopes↗
NASA NTRSDate not supplied

The CheMin X-ray Diffractometer on MSL Curiosity: A Decade of Mineralogical Observations from Gale Crater, Mars

For more than a decade, the CheMin X-ray Diffraction instrument on the Mars Science Laboratory rover Curiosity has been returning quantitative mineralogical data from Gale crater, Mars. CheMin receives and analyzes sieved soil and powdered rock samples from Curiosity’s Sample Acquisition / Sample Processing and Handling (SA/SPaH) system. To date, 38 samples have been analyzed over the course of a 28 km transit. These samples document more than 600 vertical meters of flat-lying lacustrine, fluvial and aeolian sediments that comprise the lower part of the central mound of Gale crater (commonly called Mt. Sharp).The principal mineralogy of the sediments is basaltic, with evidence of early and late-stage diagenetic overprinting. The rocks in many cases preserve most of their primary mineralogy and sedimentary features, suggesting that they were never strongly heated or deformed. Using aeolian soil composition as a proxy for the composition of the deposited and lithified sediment, it appears that in many cases the diagenetic changes observed are principally isochemical. Exceptions to this include secondary nodules, calcium sulfate veining and rare alteration halos. A striking hematite-rich feature in lower Mt. Sharp called Vera Rubin Ridge is interpreted to be lake sediment diagenetically altered by silica-poor fluids. A surprising and as yet poorly understood observation is that nearly all of the 3.7 Gyr old sedimentary rocks analyzed to date are comprised of 25-50% X-ray amorphous material. Overall, this 600 m vertical section of sedimentary rock explored in lower Mt. Sharp documents a perennial shallow lake environment grading upward into alternating lacustrine/fluvial and aeolian environments. The mineralogical changes observed going up-section include a transition from trioctahedral to dioctahedral clay minerals and a transition from magnetite to hematite. More recently, in the last 150 m of section, CheMin has documented an overall decrease in clay minerals and increase in Fe3+ oxides and oxyhydroxides. The mineralogical changes observed in Gale crater may document the gradual drying out and oxidation of the martian hydrosphere.

CHEMIN↗
DOE OSTI2020

Nonsuperconducting electronic ground state in pressurized BaFe 2 S 3 and BaFe 2 S 2.5 Se 0.5

In this work, we report a comprehensive study of the spin ladder compound BaFe 2 S 2.5 Se 0.5 using neutron diffraction, inelastic neutron scattering, high pressure synchrotron diffraction, and high pressure transport techniques. We find that BaFe 2 S 2.5 Se 0.5 possesses the same C m c m structure and stripe antiferromagnetic order as does BaFe 2 S 3 , but with a reduced Néel temperature of T N = 98 K compared to 120 K for the undoped system, and a slightly increased ordered moment of 1.40 μ B per iron. Additionally, the low-energy spin excitations in BaFe 2 S 2.5 Se 0.5 are likewise similar to those observed in BaFe 2 S 3 . However, unlike the reports of superconductivity in BaFe 2 S 3 below T c ~ 14 K under pressures of 10 GPa or more, we observe no superconductivity in BaFe 2 S 2.5 Se 0.5 at any pressure up to 19.7 GPa. In contrast, the resistivity exhibits an upturn at low temperature under pressure. Furthermore, we show that additional high-quality samples of BaFe 2 S 3 synthesized for this study likewise fail to become superconducting under pressure, instead displaying a similar upturn in resistivity at low temperature. These results demonstrate that microscopic, sample-specific details play an important role in determining the ultimate electronic ground state in this spin ladder system. We suggest that the upturn in resistivity at low temperature in both BaFe 2 S 3 and BaFe 2 S 2.5 Se 0.5 may result from Anderson localization induced by S vacancies and random Se substitutions, enhanced by the quasi-one-dimensional ladder structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

High pressure phase transition and strength estimate in polycrystalline alumina during laser-driven shock compression

Alumina (Al 2 O 3 ) is an important ceramic material notable for its compressive strength and hardness. It represents one of the major oxide components of the Earth's mantle. Static compression experiments have reported evidence for phase transformations from the trigonal α-corundum phase to the orthorhombic Rh 2 O 3 (II)-type structure at ~90 GPa, and then to the post-perovskite structure at ~130 GPa, but these phases have yet to be directly observed under shock compression. In this work, we describe laser-driven shock compression experiments on polycrystalline alumina conducted at the Matter in Extreme Conditions endstation of the Linac Coherent Light Source. Ultrafast x-ray pulses (50 fs, 10 12 photons/pulse) were used to probe the atomic-level response at different times during shock propagation and subsequent pressure release. At 107 ± 8 GPa on the Hugoniot, we observe diffraction peaks that match the orthorhombic Rh 2 O 3 (II) phase with a density of 5.16 ± 0.03 g cm –3 . Upon unloading, the material transforms back to the α-corundum structure. Upon release to ambient pressure, densities are lower than predicted assuming isentropic release, indicating additional lattice expansion due to plastic work heating. Furthermore, using temperature values calculated from density measurements, we provide an estimate of alumina's strength on release from shock compression.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Crystal structure of elvitegravir Form II, C 23 H 23 ClFNO 5

The crystal structure of elvitegravir Form II has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Elvitegravir Form II crystallizes in space group P2 1 (#4) with a = 11.54842(7), b = 14.04367(5), c = 13.33333(8) Å, β = 90.0330(6)°, V = 2162.427(14) Å 3 , and Z = 4. The crystal structure consists of alternating layers of parallel molecules perpendicular to the b-axis. The mean planes of the oxoquinoline ring systems in molecules 1 and 2 are 1(22)-1 and -1(22)1. Between the stacks are layers of the halogenated phenyl rings. These exhibit herringbone stacking. In each molecule, the carboxylic acid group forms a strong intramolecular O–H∙∙∙O hydrogen bond to the nearby carbonyl group. The hydroxyl group of each molecule forms a strong hydrogen bond to the carbonyl group of the carboxylic acid of the other molecule. These O–H∙∙∙O hydrogen bonds link the molecules into dimers, with a graph set R2,2(18) > a > c. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).

36 MATERIALS SCIENCE↗
NASA NTRS1988

Imaging extreme ultraviolet spectrometer employing a single toroidal diffraction grating - The initial evaluation

The design and test results of a high-efficiency EUV imaging spectrometer employing a concave toroidal grating which is illuminated at normal incidence in a Rowland circle mounting and has only one reflecting surface are discussed. Photographic tests and initial photoelectric tests with a two-dimensional pulse-counting detector system demonstrate the excellent image quality of the grating at wavelengths near 600 A. Applications of the spectrometer for the study of nonsolar objects and solar regions (including the chromosphere, transition region, and corona) are considered.

Huber, M. C. E.↗