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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Evaluation of fatigue-crack growth rates by polynomial curve fitting

Fundamental characterization of the constant-amplitude fatigue crack propagation is achieved by an analysis of the rate of change of crack length with change in number of applied loading cycles, defining the rate values such that they are consistent with the basic assumption of smoothness and continuity in the fatigue crack growth process. The technique used to satisfy the analytical conditions and minimize the effects of local material anomalies and experimental errors is that of fitting a smooth curve to the entire set of basic data by least square regression. This yields a well-behaved function relating the number of cycles to the crack length. By taking the first derivative of the function, the crack growth rate is obtained for each point. The class of curve fitting functions used in the analysis is the polynomial of degree n.

Davies, K. B.↗
NASA NTRS2021

Inference of Precipitation in Warm Stratiform Clouds using Remotely Sensed Observations of the Cloud Top Droplet Size Distribution

Drizzle is a common feature of warm stratiform clouds and it influences their radiative effects by modulating their physical properties and lifecycle. An important component of drizzle formation are processes that lead to a broadening of the droplet size distribution (DSD). Here, we examine observations of cloud and drizzle properties retrieved using colocated airborne measurements from the Research Scanning Polarimeter and the Third Generation Airborne Precipitation Radar. We observe a bimodal DSD as the aircraft transects drizzling open-cells whereby the larger mode reaches a maximum size near cloud center and the smaller mode remains relatively constant in size. We review similarities between our observations with droplet growth processes and their connections with precipitation onset. We estimate droplet sedimentation using the cloud top DSD and find a correlation with rain water path of 0.82. We also examine how changes in liquid water paths and droplet concentrations may act to enhance or suppress precipitation.

Droplet size distribution↗
NASA NTRS2017

Creep, Fatigue and Environmental Interactions and Their Effect on Crack Growth in Superalloys

Complex interactions of creep/fatigue/environment control dwell fatigue crack growth (DFCG) in superalloys. Crack tip stress relaxation during dwells significantly changes the crack driving force and influence DFCG. Linear Elastic Fracture Mechanics, Kmax, parameter unsuitable for correlating DFCG behavior due to extensive visco-plastic deformation. Magnitude of remaining crack tip axial stresses controls DFCG resistance due to the brittle-intergranular nature of the crack growth process. Proposed a new empirical parameter, Ksrf, which incorporates visco-plastic evolution of the magnitude of remaining crack tip stresses. Previous work performed at 704C, extend the work to 760C.

environmental interactions↗
DOE OSTI2022

Controlling inversion disorder in a stoichiometric spinel magnet

In the study of frustrated quantum magnets, it is essential to be able to control the nature and degree of site disorder during the growth process, as many measurement techniques are incapable of distinguishing between site disorder and frustration-induced spin disorder. Pyrochlore-structured spinel oxides can serve as model systems of geometrically frustrated three-dimensional quantum magnets; however, the nature of the magnetism in one well-studied spinel, ZnFe 2 O 4 , remains unclear. Here, we demonstrate simultaneous control of both stoichiometry and inversion disorder in the growth of ZnFe 2 O 4 single crystals, directly yielding a revised understanding of both the collective spin behavior and lattice symmetry. Crystals grown in the stoichiometric limit with minimal site inversion disorder contravene all the previously suggested exotic spin phases in ZnFe 2 O 4 . Furthermore, the structure is confirmed on the F$\bar{4}$3m space group with broken inversion symmetry that induces antiferroelectricity. The effective tuning of magnetic behavior by site disorder in the presence of robust antiferroelectricity makes ZnFe 2 O 4 of special interest to multiferroic devices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Probing Complex Chemical Processes at the Molecular Level with Vibrational Spectroscopy and X-ray Tools

Understanding the origins of structure and bonding at the molecular level in complex chemical systems spanning magnitudes in length and time is of paramount interest in physical chemistry. Here, we have coupled vibrational spectroscopy and X-ray based techniques with a series of microreactors and aerosol beams to tease out intricate and sometimes subtle interactions, such as hydrogen bonding, proton transfer, and noncovalent interactions. This allows for unraveling the self-assembly of arginine-oleic acid complexes in an aqueous solution and growth processes in a metal–organic framework. Terahertz and infrared spectroscopy provide an intimate view of the hydrogen-bond network and associated phase changes with temperature in neopentyl glycol. The hydrogen-bond network in aqueous glycerol aerosols and levels of protonation of nicotine in aqueous aerosols are visualized. Future directions in probing the hydrogen-bond networks in deep eutectic solvents and organic frameworks are described, and we suggest how X-ray scattering coupled to X-ray spectroscopy can offer insight into the reactivity of organic aerosols.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

History of Thermally Processed Solids in the Protoplanetary Disk: Reconciling Theoretical Models and Meteoritical Evidence

In this talk we assess theoretical models of the radial, temporal, and thermal evolution of nebula solids, and their ultimate accretion into planetesimals such as we see today, using meteorite evidence as a guide. Each class of chondrites contains a characteristic suite of chondrules and CAIs that may have formed over a period of several Myr during which planetesimals were accreting in the disk. Details of the various models for transient melting of chondrules and igneous CAIs will be left to others. However, high-temperature processes of different kinds evaporation, alteration, etc did affect these constituents and their environment over this time span. Here we describe evolutionary scenarios consistent with a large time gap between CAI and chondrule formation and the presence of distinctive suites of chondrules and CAIs in each chondrite class. Particle-gas dynamical processes transport particles of all relevant sizes (microns to many meters) within the nebula and affect their evolution in a variety of important ways. Turbulent radial diffusion spreads particles radially down their concentration gradients - as one example, it can prevent CAIs from being lost into the sun on several Myr timescales [1]. Vertical diffusion spreads the dense midplane particle layer, determining its volume density, which in turn affects the particle growth rate and even the dominant growth process [2-4]. Turbulent concentration selects aerodynamically sorted particles for orders-of-magnitude density enhancement, and is applicable to porous, fluffy particles of appropriate size as well as to solid chondrules [5]. Inward radial drift under gas drag brings a surprisingly large amount of material to regions where it evaporates; these evaporation fronts cause significant chemical modification of the nebula gas over a wide range of radii [6]. Radial transport by stellar winds can be important for small particles [7].

Cuzzi, J. N.↗
DOE OSTI2022

Direct Imaging of the Structural and Morphological Evolution of Epitaxial LiCoO 2 Films during Charge and Overcharge

The capacity decay of layered cathodes in high-voltage applications underscores the need to utilize accurate and precise techniques to understand the underlying mechanisms. Here, we use well-defined epitaxial LiCoO 2 (LCO) films on SrRuO 3 /SrTiO 3 (SRO/STO) with controlled orientations and defect structures along with in situ electrochemical atomic force microscopy to probe the structural and morphological evolutions during the charge and overcharge processes. We quantitatively show the morphological changes in both the reversible delithiation regime and the irreversible over-delithiation regime and correlate the overall electrochemical behaviors to atomic scale defect evolutions in the films. Further, we also observe a significantly lower charging capacity for LCO/SRO/STO(111) compared to that of LCO/SRO/STO(001) films of the same thickness, which is ascribed to different types of atomic scale defects formed during the film growth process. Our high- resolution scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS) studies reveal that the antiphase boundaries in LCO/SRO/STO(111) act as viable channels for Li migration but are more susceptible to irreversible phase transitions, which then block subsequent Li diffusion. The failure mechanisms developed here may provide insight into the design of future cathode materials.

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

Theoretical perspective on phase stability and polarization switching in ferroelectric hafnia

Fluorite-based ferroelectric materials are revolutionizing the application space of polar semiconductors. These materials leverage robust polarization of extremely thin films, compatibility with the silicon chip processing, and decades of manufacturing experience to enable a new generation of ferroelectric memory devices. As a new paradigm for ferroelectrics, understanding of phase transitions and the switching mechanism in fluorites is essential both for advancing applications and for fundamental science. In this article, we outline the recent progress that has been made to understand the relative phase stability, phase transition and order parameter coupling, ferroelectric switching through unique nucleation and growth processes, and how defects affect these phases and processes. The main challenges, opportunities, and next steps for leveraging these materials for next-generation devices are reviewed.

Condensed Matter Physics↗
NASA NTRS2011

Existence and Stability of Menisci in Detached Bridgman Growth

Detached growth, also referred to as dewetted growth, is a Bridgman crystal growth process in which the melt is in contact with the crucible wall but the crystal is not. A meniscus bridges the gap between the top of the crystal and the crucible wall. The Young-Laplace capillary equation was used to calculate the crystal radii of detached states as a function of the pressure differential across the meniscus. The detached states depend on the contact angle of the melt with the crucible wall, the growth angle of the melt with respect to the solidifying crystal, and the Bond number. A static stability analysis was performed on the calculated detached states. The stability criterion was the sign of the second variation of the potential energy upon admissible meniscus shape perturbations. The conditions considered corresponded to the growth of Ge and InSb, in both terrestrial and microgravity conditions. Stability was found to depend significantly on whether the interior surface was considered to be microscopically rough or smooth, corresponding to pinned or unpinned states. It was also found that all meniscus shapes which are single-valued functions of the radius are statically stable in a microgravity environment.

Volz, M. P.↗
DOE OSTI2025

Transformation of TiN to TiNO Films via In-Situ Temperature-Dependent Oxygen Diffusion Process and Their Electrochemical Behavior

Titanium oxynitride (TiNO) thin films represent a multifaceted material system applicable in diverse fields, including energy storage, solar cells, sensors, protective coatings, and electrocatalysis. This study reports the synthesis of TiNO thin films grown at different substrate temperatures using pulsed laser deposition. A comprehensive structural investigation was conducted by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Non-Rutherford backscattering spectrometry (N-RBS), and X-ray absorption spectroscopy (XAS), which facilitated a detailed analysis that determined the phase, composition, and crystallinity of the films. Structural control was achieved via temperature-dependent oxygen in-diffusion, nitrogen out-diffusion, and the nucleation growth process related to adatom mobility. The XPS analysis indicates that the TiNO films consist of heterogeneous mixtures of TiN, TiNO, and TiO2 phases with temperature-dependent relative abundances. The correlation between the structure and electrochemical behavior of the thin films was examined. The TiNO films with relatively higher N/O ratio, meaning less oxidized, were more electrochemically active than the films with lower N/O ratio, i.e., more oxidized films. Films with higher oxidation levels demonstrated enhanced crystallinity and greater stability under electrochemical polarization. These findings demonstrate the importance of substrate temperature control in tailoring the properties of TiNO film, which is a fundamental part of designing and optimizing an efficient electrode material.

Cherono, Sheilah↗
NASA NTRS1999

Advances in Fatigue and Fracture Mechanics Analyses for Aircraft Structures

This paper reviews some of the advances that have been made in stress analyses of cracked aircraft components, in the understanding of the fatigue and fatigue-crack growth process, and in the prediction of residual strength of complex aircraft structures with widespread fatigue damage. Finite-element analyses of cracked structures are now used to determine accurate stress-intensity factors for cracks at structural details. Observations of small-crack behavior at open and rivet-loaded holes and the development of small-crack theory has lead to the prediction of stress-life behavior for components with stress concentrations under aircraft spectrum loading. Fatigue-crack growth under simulated aircraft spectra can now be predicted with the crack-closure concept. Residual strength of cracked panels with severe out-of-plane deformations (buckling) in the presence of stiffeners and multiple-site damage can be predicted with advanced elastic-plastic finite-element analyses and the critical crack-tip-opening angle (CTOA) fracture criterion. These advances are helping to assure continued safety of aircraft structures.

Newman, J. C., Jr.↗
NASA NTRS2000

Advances in Fatigue and Fracture Mechanics Analyses for Metallic Aircraft Structures

This paper reviews some of the advances that have been made in stress analyses of cracked aircraft components, in the understanding of the fatigue and fatigue-crack growth process, and in the prediction of residual strength of complex aircraft structures with widespread fatigue damage. Finite-element analyses of cracked metallic structures are now used to determine accurate stress-intensity factors for cracks at structural details. Observations of small-crack behavior at open and rivet-loaded holes and the development of small-crack theory has lead to the prediction of stress-life behavior for components with stress concentrations under aircraft spectrum loading. Fatigue-crack growth under simulated aircraft spectra can now be predicted with the crack-closure concept. Residual strength of cracked panels with severe out-of-plane deformations (buckling) in the presence of stiffeners and multiple-site damage can be predicted with advanced elastic-plastic finite-element analyses and the critical crack-tip-opening angle (CTOA) fracture criterion. These advances are helping to assure continued safety of aircraft structures.

Newman, J. C., Jr.↗
DOE OSTI2022

Comparing the shock sensitivity of insensitive energetic materials

We present a tabletop method to study the shock sensitivity of plastic-bonded explosives that are considered shock insensitive using high dynamic range optical emission spectroscopy with laser-launched km/s flyer plate impacts (2, 3, and 4 km/s), which measures the spectral radiance (the emission spectrum vs a calibrated intensity standard) every 0.8 ns in the nanosecond and microsecond regimes. The explosives were TATB (1,3,5 trinitro, 2,4,6 triamino benzene), FOX-7 (1,1-diamino-2,2-dinitroethylene), LLM-105 (2,6-diamino-3,5-dinitropyrazine-1-oxide), and NTO (nitrotriazolone), all with 20% Sylgard 182 binder. Time resolving emission from shocked explosives produces a unique fingerprint at each shock pressure, and the emission temporal profile can be used to understand each material's shock response and the underlying mechanisms within the framework of the well-known shock ignition and growth models. Ignition was characterized by the emission intensity during nanosecond hot spot ignition. The growth process, which occurs after the shock has unloaded, was characterized by the time derivative of microsecond emission intensity. Singular-value decomposition was used to determine a characteristic spectral radiance over the entire time range, and this radiance was fit to a graybody model to determine a characteristic temperature Tc. Even though these insensitive explosives have similar shock sensitivities, our method can clearly distinguish their shock response. FOX-7 and NTO were the most sensitive, with FOX-7 having the greatest shock ignition sensitivity, growth rate, and Tc. LLM-105 was much less sensitive than FOX-7 and NTO, and TATB consistently showed the lowest sensitivity by any measure.

Akhtar, Meysam (ORCID:0000000243897837)↗
DOE OSTI2023

The sequence of prime gaps is graphic

Let us call a simple graph on $n$ ≥ 2 vertices a prime gap graph if its vertex degrees are 1 and the first $n$ - 1 prime gaps. We show that such a graph exists for every large n, and in fact for every $n$ ≥ 2 if we assume the Riemann hypothesis. Moreover, an infinite sequence of prime gap graphs can be generated by the so-called degree preserving growth process. This is the first time a naturally occurring infinite sequence of positive integers is identified as graphic. That is, we show the existence of an interesting, and so far unique, infinite combinatorial object.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Micromechanics of Fracture Propagation During Multistage Stress Relaxation and Creep in Brittle Rocks

Time-dependent rock deformation caused by the initiation and growth of fractures leads to the weakening of the rock mass. Understanding the fracturing mechanisms involved in the time-dependent behavior in brittle rocks is very important and to achieve this goal, a systematic series of three types of experiments was performed on double-flawed prismatic Barre granite specimens under unconfined compression. The first series aimed to identify the failure mechanism in the short-term failure mode under monotonic loading, the, second series involved multistage relaxation (constant strain) experiments to analyze the damage at different strain levels, and the third series explored the fracture propagation under multistage creep (constant load) experiments. The spatial and temporal evolution of cracking mechanisms were evaluated using the acoustic emission (AE) and two-dimensional digital image correlation (2D-DIC) techniques to observe the whole crack growth process as well as the accumulated inelastic strain at the specified region of interest. Results suggest that in the case of multistage creep experiments, the time to failure was less compared to the multistage relaxation, when loaded above the crack damage threshold (CD) estimated from the monotonic testing. Furthermore, the frequency magnitude distribution of the AE events generated in the three loading conditions followed the Gutenberg Richter model. A relatively lower b-value was obtained for the creep experiments, indicative of high energy AE events and faster crack growth. In addition, the AE and DIC results also revealed high evolution of tensile cracks at-different stages of creep and relaxation compared to shear and mixed-mode cracks.

58 GEOSCIENCES↗
NASA NTRS2000

Does Warming a Lysozyme Solution Cook Ones Data?

Chicken egg white lysozyme has a well characterized thermally driven phase transition. Between pH 4.0 and 5.2, the transition temperature, as defined by the point where the tetragonal and orthorhombic solubility are equal, is a function of the pH, salt (precipitant) type and concentration, and most likely of the buffer concentration as well. This phase transition can be carried out with protein solution alone, prior to the initiation of the crystallization process. We have now measured the kinetics of this process and investigated its reversibility. An aliquot of a stock protein solution is held at a given temperature, and at periodic intervals used to set up batch crystallization experiments. The batch solutions were incubated at 20 C until macroscopic crystals were obtained, at which point the number of crystals in each well were counted. The transition effects increased with temperature, slowly falling off at 30 C with a half time (time to approx. 1/2 the t = 0 number of crystals) of approx. 5 hours, and an estimated half time of approx. 0.5 hours at 43 C. Further, the process was not reversible by simple cooling. After holding a lysozyme solution at 37 C (prior to addition of precipitant) for 16 hours, then cooling and holding it at 4 C, no return to the pre-warmed nucleation kinetics are observed after at least 4 weeks. Thus every thermal excursion above the phase transition point results in a further decrease in the nucleation rate of that solution, the extent being a function of the time and temperature. Orthorhombic lysozyme crystals apparently do not undergo the flow-induced growth cessation of tetragonal lysozyme crystals. We have previously shown that putting the protein in the orthorhombic form does not affect the averaged face growth kinetics, only nucleation, for tetragonal crystals. We may be able to use this differential behavior to elucidate how flow affects tile lysozyme crystal growth process.

Pusey, Marc↗
DOE OSTI2024

Low-temperature gas-phase formation of cyclopentadiene and its role in the formation of aromatics in the interstellar medium

The cyclopentadiene (C 5 H 6 ) molecule has emerged as a molecular building block of nonplanar polycyclic aromatic hydrocarbons (PAHs) and carbonaceous nanostructures such as corannulene (C 20 H 10 ), nanobowls (C 40 H 10 ), and fullerenes (C 60 ) in deep space. However, the underlying elementary gas-phase processes synthesizing cyclopentadiene from acyclic hydrocarbon precursors have remained elusive. Here, by merging crossed molecular beam experiments with rate coefficient calculations and comprehensive astrochemical modeling, we afford persuasive testimony on an unconventional low-temperature cyclization pathway to cyclopentadiene from acyclic precursors through the reaction of the simplest diatomic organic radical—methylidyne (CH)—with 1,3-butadiene (C 4 H 6 ) representing main route to cyclopentadiene observed in TaurusMolecular Cloud. This facile route provides potential solution for the incorporation of the cyclopentadiene moiety in complex aromatic systems via bottom–up molecular mass growth processes and offers an entry point to the low-temperature chemistry in deep space leading eventually to nonplanar PAHs in our carbonaceous Universe.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

Growth Angle - a Microscopic View

The growth angle that is formed between the side of the growing crystal and the melt meniscus is an important parameter in the detached Bridgman crystal growth method, where it determines the extent of the crystal-crucible wall gap, and in the Czochralski and float zone methods, where it influences the size and stability of the crystals. The growth angle is a non-equilibrium parameter, defined for the crystal growth process only. For a melt-crystal interface translating towards the crystal (melting), there is no specific angle defined between the melt and the sidewall of the solid. In this case, the corner at the triple line becomes rounded, and the angle between the sidewall and the incipience of meniscus can take a number of values, depending on the position of the triple line. In this work, a microscopic model is developed in which the fluid interacts with the solid surface through long range van der Waals or Casimir dispersive forces. This growth angle model is applied to Si and Ge and compared with the macroscopic approach of Herring. In the limit of a rounded corner with a large radius of curvature, the wetting of the melt on the crystal is defined by the contact angle. The proposed microscopic approach addresses the interesting issue of the transition from a contact angle to a growth angle as the radius of curvature decreases.

Mazurak, K.↗