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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

Range-Gated Metrology: An Ultra-Compact Sensor for Dimensional Stabilization

Point-to-point laser metrology systems can be used to stabilize large structures at the nanometer levels required for precision optical systems. Existing sensors are large and intrusive, however, with optical heads that consist of several optical elements and require multiple optical fiber connections. The use of point-to-point laser metrology has therefore been limited to applications where only a few gauges are needed and there is sufficient space to accommodate them. Range-Gated Metrology is a signal processing technique that preserves nanometer-level or better performance while enabling: (1) a greatly simplified optical head - a single fiber optic collimator - that can be made very compact, and (2) a single optical fiber connection that is readily multiplexed. This combination of features means that it will be straightforward and cost-effective to embed tens or hundreds of compact metrology gauges to stabilize a large structure. In this paper we describe the concept behind Range-Gated Metrology, demonstrate the performance in a laboratory environment, and give examples of how such a sensor system might be deployed.

laser metrology↗
DOE OSTI2024

A-site occupancy effects on structure, ionic conductivity, and thermodynamic stability of KxMgx/2Ti8−x/2O16

Abstract K x Mg x /2 Ti 8− x /2 O 16 (1.54 ≤ x ≤ 2) hollandite samples synthesized using a conventional solid-state route were used to investigate the effect of structure, ionic conductivity, and thermodynamic stability as a function of A-site (K) occupancy. The ionic conductivity, as measured using AC impedance spectroscopy, decreased as the A-site occupancy (and K content) increased. Titanate hollandite, of the form K x Mg x /2 Ti 8− x /2 O 16 , was measured using high-temperature oxide melt solution calorimetry in sodium molybdate (3Na 2 O $$\bullet$$ ∙ 4MoO 3 ) solvent at 804 $$^\circ{\rm C}$$ ∘ C . The enthalpies of formation are strongly exothermic indicating that they are thermodynamically stable relative to their constituent oxides. Previous studies have demonstrated increased stability with an increase in Cs content at fixed A-site occupancy. This work demonstrated an increase in the stability for the K-bearing hollandite samples with an increase in K content and tunnel occupancy. The measured enthalpies of formation (∆ H f,ox ) were in good agreement with density functional theory (DFT) predictions. Graphical abstract

Cassell, Nakeshma S.↗
NASA NTRS1993

An explicit solution to the optimal LQG problem for flexible structures with collocated rate sensors

We present a class of compensators in explicit form (not requiring numerical computer calculations) for stabilizing flexible structures with collocated rate sensors. They are based on the explicit solution, valid for both Continuum and FEM Models, of the LQG problem for minimizing mean square rate. They are robust with respect to system stability (will not destabilize modes even with mismatch of parameters), can be instrumented in state space form suitable for digital controllers, and can be specified directly from the structure modes and mode 'signature' (displacement vectors at sensor locations). Some simulation results are presented for the NASA LaRC Phase-Zero Evolutionary Model - a modal Trust model with 86 modes - showing damping ratios attainable as a function of compensator design parameters and complexity.

Balakrishnan, A. V.↗
DOE OSTI2019

Structural Evolution During Perovskite Crystal Formation and Degradation: In Situ and Operando X–Ray Diffraction Studies

This review provides an update on the progress in understanding formation and degradation mechanisms in halide perovskites for photovoltaic applications, as supported by in situ and operando X–ray scattering techniques. The value of these real–time analyses is particularly high for gaining insights into the structural evolution during crystal formation and decomposition upon exposure to external stress factors. This type of analysis reveals the pathways between starting and end points of a process rather than being limited to comparing states before and after the process. Special attention is put on the successful efforts toward upscaling including deposition techniques that are compatible to roll–to–roll processing. These processes are realized using fast annealing procedures. The development of these processes strongly benefited from in situ studies exploring the direct transition from precursor to perovskite without going through observable crystalline intermediate phases. A particular focus of this review is the benefit of using in situ and operando X–ray scattering techniques to better understand and ultimately improve device stability. In conclusion, the difference between structural stability of thin films and structural stability under device operation is highlighted, convincingly demonstrating the indispensability of operando studies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Hybrid bilayered vanadium oxide electrodes with large and tunable interlayer distances in lithium-ion batteries

The interlayer distances in layered electrode materials, influenced by the chemical composition of the confined interlayer regions, have a significant impact on their electrochemical performance. Chemical preintercalation of inorganic metal ions affects the interlayer spacing, yet expansion is limited by the hydrated ion radii. Herein, we demonstrate that using varying concentrations of decyltrimethylammonium (DTA + ) and cetyltrimethylammonium (CTA + ) cations in chemical preintercalation synthesis followed by hydrothermal treatment, the interlayer distance of hybrid bilayered vanadium oxides (BVOs) can be tuned between 11.1 Å and 35.6 Å. Our analyses reveal that these variations in interlayer spacing are due to different amounts of structural water and alkylammonium cations confined within the interlayer regions. Increased concentrations of alkylammonium cations not only expand the interlayer spacing but also induce local bending and disordering of the V-O bilayers. Electrochemical cycling of hybrid BVO electrodes in non-aqueous lithium-ion cells show that specific capacities decrease as interlayer regions expand, suggesting that the densely packed alkylammonium cations obstruct intercalation sites and hinder Li + ion transport. Furthermore, we found that greater layer separation facilitates the dissolution of active material into the electrolyte, resulting in rapid capacity decay during extended cycling. In conclusion, this study emphasizes that layered electrode materials require both spacious interlayer regions as well as high structural and chemical stabilities, providing guidelines for structural engineering of organic–inorganic hybrids.

25 ENERGY STORAGE↗
DOE OSTI2023

Cation-Driven Assembly of Bilayered Vanadium Oxide and Graphene Oxide Nanoflakes to Form Two-Dimensional Heterostructure Electrodes for Li-Ion Batteries

Lithium preintercalated bilayered vanadium oxide (LVO or δ-Li x V 2 O 5 ·nH 2 O) and graphene oxide (GO) nanoflakes were assembled using a concentrated lithium chloride solution and annealed under vacuum at 200 °C to form two-dimensional (2D) δ-Li x V 2 O 5 ·nH 2 O and reduced GO (rGO) heterostructures. Here we found that the Li + ions from LiCl enhanced the oxide/carbon heterointerface formation and served as stabilizing ions to improve structural and electrochemical stability. The graphitic content of the heterostructure could be easily controlled by changing the initial GO concentration prior to assembly. We found that increasing the GO content in our heterostructure composition helped inhibit the electrochemical degradation of LVO during cycling and improved the rate capability of the heterostructure. A combination of scanning electron microscopy and X-ray diffraction was used to help confirm that a 2D heterointerface formed between LVO and GO, and the final phase composition was determined using energy-dispersive X-ray spectroscopy and thermogravimetric analysis. Scanning transmission electron microscopy and electron energy-loss spectroscopy were additionally used to examine the heterostructures at high resolution, mapping the orientations of rGO and LVO layers and locally imaging their interlayer spacings. Further, electrochemical cycling of the cation-assembled LVO/rGO heterostructures in Li-ion cells with a non-aqueous electrolyte revealed that increasing the rGO content led to improved cycling stability and rate performance, despite slightly decreased charge storage capacity. The heterostructures with 0, 10, 20, and 35 wt % rGO exhibited capacities of 237, 216, 174, and 150 mAh g –1 , respectively. Moreover, the LVO/rGO-35 wt % and LVO/rGO-20 wt % heterostructures retained 75% (110 mAh g–1) and 67% (120 mAh g –1 ) of their initial capacities after increasing the specific current from 20 to 200 mA g –1 , while the LVO/rGO-10 wt % sample retained only 48% (107 mAh g –1 ) of its initial capacity under the same cycling conditions. In addition, the cation-assembled LVO/rGO electrodes exhibited enhanced electrochemical stability compared to electrodes prepared through physical mixing of LVO and GO nanoflakes in the same ratios as the heterostructure electrodes, further revealing the stabilizing effect of a 2D heterointerface. The cation-driven assembly approach, explored in this work using Li + cations, was found to induce and stabilize the formation of stacked 2D layers of rGO and exfoliated LVO. The reported assembly methodology can be applied for a variety of systems utilizing 2D materials with complementary properties for applications as electrodes in energy storage devices.

25 ENERGY STORAGE↗
NASA NTRS1991

STARS: An integrated general-purpose finite element structural, aeroelastic, and aeroservoelastic analysis computer program

The details of an integrated general-purpose finite element structural analysis computer program which is also capable of solving complex multidisciplinary problems is presented. Thus, the SOLIDS module of the program possesses an extensive finite element library suitable for modeling most practical problems and is capable of solving statics, vibration, buckling, and dynamic response problems of complex structures, including spinning ones. The aerodynamic module, AERO, enables computation of unsteady aerodynamic forces for both subsonic and supersonic flow for subsequent flutter and divergence analysis of the structure. The associated aeroservoelastic analysis module, ASE, effects aero-structural-control stability analysis yielding frequency responses as well as damping characteristics of the structure. The program is written in standard FORTRAN to run on a wide variety of computers. Extensive graphics, preprocessing, and postprocessing routines are also available pertaining to a number of terminals.

Gupta, Kajal K.↗
DOE OSTI2021

Facile Synthesis of Micrometer-sized Hierarchical Porous Si@C Anodes for High-Performance Lithium-Ion Batteries

Extensive studies have been conducted to determine if replacing graphite anodes with silicon is feasible since silicon possesses a high capacity and is an abundant resource; however, Si anodes suffer significant volume changes during cycling, which pulverizes its structure and subsequently causes rapid capacity fading. We used SiO2 nanoparticles (nSiO2) and low-cost coal-derived humic acid as a feedstock to synthesize high performance Si-C anodes for Li-ion Batteries through spray drying, calcination, and magnesiothermic reductions. Our Si-C anodes features micrometer-sized porous Si coated with a graphitized carbon shell (mpSi@C). The hierarchical graphitized carbon shell and porous silicon structure relieve the mechanical stress of the Si phase upon cycling, which stabilizes the structure. This mpSi@C composite design allows for a high initial discharge capacity of 2199.9 mAh g-1 at 0.1 A g-1 and a cycling performance of 68% capacity retention after 100 cycles at 1.0 A g-1. The multipoint contact between the Si anode and C structure allows for a remarkable performance rate of 566.3 mAh g-1 at 5.0 A g-1.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Synthesis and Stability of an Eight‐Coordinated Fe 3 O 4 High‐Pressure Phase: Implications for the Mantle Structure of Super‐Earths

Abstract Super‐Earths ranging up to 10 Earth masses (M E ) with Earth‐like density are common among the observed exoplanets thus far, but their measured masses and radii do not uniquely elucidate their internal structure. Exploring the phase transitions in the Mg‐silicates that define the mantle‐structure of super‐Earths is critical to characterizing their interiors, yet the relevant terapascal conditions are experimentally challenging for direct structural analysis. Here we investigated the crystal chemistry of Fe 3 O 4 as a low‐pressure analog to Mg 2 SiO 4 between 45–115 GPa and up to 3000 K using powder and single crystal X‐ray diffraction in the laser‐heated diamond anvil cell. Between 60–115 GPa and above 2000 K, Fe 3 O 4 adopts an 8‐fold coordinated Th 3 P 4 ‐type structure ( I ‐43d, Z = 4) with disordered Fe 2+ and Fe 3+ into one metal site. This Fe‐oxide phase is isostructural with that predicted for Mg 2 SiO 4 above 500 GPa in super‐Earth mantles and suggests that Mg 2 SiO 4 can incorporate both ferric and ferrous iron at these conditions. The pressure‐volume behavior observed in this 8‐fold coordinated Fe 3 O 4 indicates a maximum 4% density increase across the 6‐ to 8‐fold coordination transition in the analog Mg‐silicate. Reassessment of the FeO—Fe 3 O 4 fugacity buffer considering the Fe 3 O 4 phase relationships identified in this study reveals that increasing pressure and temperature to 120 GPa and 3000 K in Earth and planetary mantles drives iron toward oxidation.

Zurkowski, C. C.↗
DOE OSTI2019

Magnetic frustration control through tunable stereochemically driven disorder in entropy-stabilized oxides

Entropy-stabilized oxides possess a large configurational entropy that allows for the unique ability to include typically immiscible concentrations of species in different configurations. Particularly in oxides, where the physical behavior is strongly correlated to stereochemistry and electronic structure, entropic stabilization creates a unique platform to tailor the interplay of extreme structural and chemical disorder to realize unprecedented functionalities. Here, we control stereochemically driven structural disorder in single crystalline, rocksalt, (MgCoNiCuZn)O-type entropy-stabilized oxides through the incorporation of Cu 2+ cations. We harness the disorder to tune the degree of glassiness in the antiferromagnetic structure. Structural distortions driven by the Jahn-Teller effect lead to a difference in valence on the Co cation sites, which extends to dilution and disorder of the magnetic lattice. A spin glass model reveals that the fractional spin ordering of the magnetic lattice can be tuned by ~65%. These findings demonstrate entropy-stabilization as a tool for control of functional phenomena.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Defect Properties, Anion Ordering, and Photochromic Mechanism in Yttrium Oxyhydride

Yttrium oxyhydride (YHO) undergoes a reversible photochromic transition when exposed to ultraviolet light. However, the mechanism for this transformation is not fully understood, and the structure and precise chemical composition of YHO remain under debate. Here, we use first-principles density functional theory calculations with a hybrid functional to study the structure, chemical stability, and point defect properties of YHO. As experiments have shown, we find that YHO prefers a cubic structure, with H and O anions present in equal concentrations and located on tetrahedral sites. Stoichiometric and ordered YHO is chemically stable, but it has a wide band gap of 5.01 eV, considerably larger than that measured in experiments (2.4–3.8 eV). On the other hand, Y4H10O has a smaller band gap of 2.97 eV and also has a region of chemical stability; thus, the actual material may include some fraction of this H-rich structure. The defect chemistry of YHO is dominated by anionic antisite species (H O and O H ), with hydrogen interstitials (H i ) and vacancies (V H ) also present in reasonably high concentrations. We show that antisite disorder lowers the band gap relative to the perfectly ordered structure, bringing the magnitude of the gap into closer agreement with experiment. Based on our calculations of defect migration and the positions of defect states relative to the band edges, we link the onset of photochromic behavior to the reaction H O – → V O 0 + H i – , which follows photoexcitation of a H O + defect. H i – can subsequently migrate away and be trapped by additional H O + defects, contributing to the persistence of the reaction, while the resultant oxygen vacancy, V O 0 , introduces an occupied defect state that leads to optical absorption at visible wavelengths. Our results can explain reported discrepancies between experimental and computational results for YHO, and they allow us to propose specific atomic-scale processes that can lead to photochromism. In conclusion, understanding these mechanisms is key for unlocking YHO’s application in devices ranging from smart windows and optoelectronics to electrochemical synapses for neural networks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Effect of the abolition of intersubunit salt bridges on allosteric protein structural dynamics

A salt bridge, one of the representative structural factors established by non-covalent interactions, plays a crucial role in stabilizing the structure and regulating the protein function, but its role in dynamic processes has been elusive. Here, to scrutinize the structural and functional roles of the salt bridge in the process of performing the protein function, we investigated the effects of salt bridges on the allosteric structural transition of homodimeric hemoglobin (HbI) by applying time-resolved X-ray solution scattering (TRXSS) to the K30D mutant, in which the interfacial salt bridges of the wild type (WT) are abolished. The TRXSS data of K30D are consistent with the kinetic model that requires one monomer intermediate in addition to three structurally distinct dimer intermediates (I 1 , I 2 , and I 3 ) observed in WT and other mutants. The kinetic and structural analyses show that K30D has an accelerated biphasic transition from I 2 to I 3 by more than nine times compared to WT and lacks significant structural changes in the transition from R-like I 2 to T-like I 3 observed in WT, unveiling that the loss of the salt bridges interrupts the R–T allosteric transition of HbI. Besides, the correlation between the bimolecular CO recombination rates in K30D, WT, and other mutants reveals that the bimolecular CO recombination is abnormally decelerated in K30D, indicating that the salt bridges also affect the cooperative ligand binding in HbI. These comparisons of the structural dynamics and kinetics of K30D and WT show that the interfacial salt bridges not only assist the physical connection of two subunits but also play a critical role in the global structural signal transduction of one subunit to the other subunit via a series of well-organized structural transitions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

Production readiness verification testing

A Production Readiness Verification Testing (PRVT) program has been established to determine if structures fabricated from advanced composites can be committed on a production basis to commercial airline service. The program utilizes subcomponents which reflect the variabilities in structure that can realistically be expected from current production and quality control technology to estimate the production qualities, variation in static strength, and durability of advanced composite structures. The results of the static tests and a durability assessment after one year of continuous load/environment testing of twenty two duplicates of each of two structural components (a segment of the front spar and cover of a vertical stabilizer box structure) are discussed.

James, A. M.↗
NASA NTRS1982

Thick accretion disks - Self-similar, supercritical models

Self-similar models, characterized by near-equilibrium between gravity, centrifugal force and radiation pressure, are generated for geometrically thick, supercritical accretion disks analyzing their structure and stability. The assumption that hydrodynamic quantities scale as power laws in radius allows for computation of disk structure as a function of the angle from the rotation axis, given a viscosity law model to which the structure of the interior of the disk is sensitive. The behaviors of other hydrodynamic quantities near the surface depend on the viscosity law, but not on the degree of pressure support on the equator. All models are found to be unstable to local axisymmetric perturbations at high latitudes noting the role of convection in bringing the disk to marginal stability. It is recommended that future thick accretion disk models take into account both their convective nature and the dependence of their structure on the viscosity law.

Begelman, M. C.↗
DOE OSTI2021

What is the Role of Nb in Nickel-Rich Layered Oxide Cathodes for Lithium-Ion Batteries?

Nickel-rich layered metal oxide LiNi 1–y–z Mn y Co z O 2 (1 – y – z ≥ 0.8) materials are the most promising cathodes for next-generation lithium-ion batteries in electric vehicles. However, they lose more than 10% of their capacity on the first cycle, and interfacial/structural instability causes capacity fading. Coating and substitution are possible direct and effective solutions to solve these challenges. In this Letter, Nb coating and Nb substitution on LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) is easily produced through a scalable wet chemistry method followed by sintering from 400 to 800 °C. A Li-free Nb oxide treatment is found to remove surface impurities forming a LiNbO 3 /Li 3 NbO 4 surface coating, to reduce the first capacity loss and to improve the rate performance. Furthermore, Nb substitution stabilizes the structure, as evidenced by less heat evolution on heating, thus providing better long cycling stability with a 93.2% capacity retention after 250 cycles.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Ground and flight test methods for determining limit cycle and structural resonance characteristics of aircraft stability augmentation systems

Performance criteria and test techniques are applied to stability augmentation systems (SAS) during ground testing to predict objectionable limit cycles and preclude structural resonance during flight. Factors that give rise to these problems, means of suppressing their effects, trade-offs to be considered, and ground test methods that have been developed are discussed. SAS performance predicted on the basis of these tests is compared with flight data obtained from three lifting body vehicles and the X-15 research airplane. Limit cycle and structural resonance test criteria, based upon ground and flight experience and data, were successfully applied to these vehicles. The criteria used were: The limit cycle amplitude (SAS gain multiplied by peak-to-peak angular rate) shall not exceed 0.5 deg for the highest product of control power and SAS gain that will be used in flight; the maximum in-flight SAS gain should never exceed 50 percent of the value at which a structural resonance can be sustained during ground test.

Painter, W. D.↗
NASA NTRS2002

Buckling Design Studies of Inverted, Oblate Bulkheads for a Propellant Tank

An investigation of the deformation and buckling characteristics of a composite, oblate bulkhead that has an inverted geometry and is subjected to pressure-only loading is presented for three bulkhead geometries and thicknesses. The effects of a stiffening support ring at the bulkhead to cylinder interface are also evaluated. Buckling analyses conducted using the axisymmetric shell code BOSOR4 are discussed for several bulkhead configurations. These results are analytically verified using results from the Structural Analysis of General Shells (STAGS) code for a selected bulkhead configuration. The buckling characterization of an inverted, oblate bulkhead requires careful attention as small changes in bulkhead parameters can have a significant effect on the critical buckling load. Comparison of BOSOR4 and STAGS results provided a very good correlation between the two analysis methods. In addition, the analysis code BOSOR4 was found to be an efficient sizing tool that is useful during the preliminary design stage of a practical shell structure. Together, these two aspects should give the design engineer confidence in sizing these stability critical structures. Additional characterization is warranted, especially for a composite tank structure, since only one bulkhead configuration was examined closely.

Smeltzer, Stanley S., III↗