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At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Nd, SbNd and Sb 3 Nd 4 and their interactions with the cladding alloy HT9

Lanthanide fission products, such as neodymium, formed during the irradiation of metallic fuels are known to cause deleterious effects from chemical interactions occurring at the fuel-cladding interface; a phenomenon known as fuel-cladding chemical interaction (FCCI). The use of fuel-based additives that bind with the lanthanide elements within the fuel meat, alleviating their interactions at the fuel-cladding interface, is one potential method proposed to mitigate the FCCI phenomenon and extend the burnup potential of such metallic fuel systems. In this study, antimony (Sb) is evaluated as one such additive, and neodymium (Nd) is used to represent the lanthanides. A Sb-Nd alloy is fabricated, which consists of two intermetallic phases, SbNd and Sb 3 Nd 4 . Isothermal diffusion couple experiments are carried out at 675 °C for 24 h between Nd and the Fe-12Cr based HT9 cladding alloy. The results are compared against similar diffusion couple experiments carried out between the Sb-Nd alloy and also HT9. Inter-diffusion between Nd/HT9 diffusion couple is characterized and the phases Fe 17 Nd 5 and Fe 17 Nd 2 were found to form whereas no interactions were observed in the Sb-Nd/HT9 diffusion couple. The lack of compound forming tendencies between Fe, the primary alloying constituent of HT9, and SbNd is elucidated through density functional theory (DFT) calculations on enthalpy of mixing, aligning well with the experimental observations. Lastly, the strong binding of Nd with Sb appears to be favorable, alleviating Nd interactions with HT9 constituent elements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Single-Molecule Detection of the Encounter and Productive Electron Transfer Complexes of a Photosynthetic Reaction Center

Small, diffusible redox proteins play an essential role in electron transfer (ET) in respiration and photosynthesis, sustaining life on Earth by shuttling electrons between membrane-bound complexes via finely tuned and reversible interactions. Ensemble kinetic studies show transient ET complexes form in two distinct stages: an “encounter” complex largely mediated by electrostatic interactions, which subsequently, through subtle reorganization of the binding interface, forms a “productive” ET complex stabilized by additional hydrophobic interactions around the redox-active cofactors. Here, using single-molecule force spectroscopy (SMFS) we dissected the transient ET complexes formed between the photosynthetic reaction center-light harvesting complex 1 (RC-LH1) of Rhodobacter sphaeroides and its native electron donor cytochrome c 2 (cyt c 2 ). Importantly, SMFS resolves the distribution of interaction forces into low (~150 pN) and high (~330 pN) components, with the former more susceptible to salt concentration and to alteration of key charged residues on the RC. Thus, the low force component is suggested to reflect the contribution of electrostatic interactions in forming the initial encounter complex, whereas the high force component reflects the additional stabilization provided by hydrophobic interactions to the productive ET complex. Employing molecular dynamics simulations, we resolve five intermediate states that comprise the encounter, productive ET and leaving complexes, predicting a weak interaction between cyt c 2 and the LH1 ring near the RC-L subunit that could lie along the exit path for oxidized cyt c 2 . The multimodal nature of the interactions of ET complexes captured here may have wider implications for ET in all domains of life.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Towards a Unified Low-Cost Flow Plate, Flow-Field, PTL Solution for Proton Exchange Membrane Electrolyzers

Proton exchange membrane (PEM) water electrolysis is a highly efficient method for hydrogen production. Research cells typically consist of one proton exchange membrane, two catalyst layers, two porous transport layers, two flow-field plates, and two endplates. In commercial systems, the machined flow-field plates that are employed in research cells are typically replaced by stamped parts or open mesh material solutions to reduce manufacturing cost at scale. Nonetheless, the cell contains about 8 total interfaces: bipolar plate / flow plate material / porous transport medium / electrode / membrane / electrode / porous transport medium / flow plate material / bipolar plate. All these materials and interfaces need to be optimized for maximum performance and efficiency. Reducing the amount of interfaces by combining individual cell components directly benefits the fabrication cost (by reducing the parts count and the needs for surface coatings) and the electrochemical performance (by reducing ohmic losses). We have designed a novel PEM electrolysis cell with a piece of channeled titanium felt functioning as both the anode flow-field and the PTL, referred to as the channeled diffusion layer (CDL). The pores of the felt facilitate both in-plane and through-plane diffusion, ensuring maximum catalyst utilization while also minimizing mass transport loss. The titanium felt can be mass manufactured with existing stamping and forming methods and is therefore a promising candidate to reduce the capital cost of PEM electrolyzers whilst improving hydrogen production efficiency. Experiments conducted with 3mg IrOx/cm2 loading MEAs have shown a approximately 40% boost in peak current by implementing the CDL design. Low catalyst-loading MEAs are being tested in ongoing experiments and their results will be discussed and compared.

08 HYDROGEN↗
NASA NTRS2011

Moisture-Induced TBC Spallation on Turbine Blade Samples

Delayed failure of TBCs is a widely observed laboratory phenomenon, although many of the early observations went unreported. The weekend effect or DeskTop Spallation (DTS) is characterized by initial survival of a TBC after accelerated laboratory thermal cycling, then failure by exposure to ambient humidity or water. Once initiated, failure can occur quite dramatically in less than a second. To this end, the water drop test and digital video recordings have become useful techniques in studies at NASA (Smialek, Zhu, Cuy), DECHMA (Rudolphi, Renusch, Schuetze), and CNRS Toulouse/SNECMA (Deneux, Cadoret, Hervier, Monceau). In the present study the results for a commercial turbine blade, with a standard EB-PVD 7YSZ TBC top coat and Pt-aluminide diffusion bond coat are reported. Cut sections were intermittently oxidized at 1100, 1150, and 1200 C and monitored by weight change and visual appearance. Failures were distributed widely over a 5-100 hr time range, depending on temperature. At some opportune times, failure was captured by video recording, documenting the appearance and speed of the moisture-induced spallation process. Failure interfaces exhibited alumina scale grains, decorated with Ta-rich oxide particles, and alumina inclusions as islands and streamers. The phenomenon is thus rooted in moisture-induced delayed spallation (MIDS) of the alumina scale formed on the bond coat. In that regard, many studies show the susceptibility of alumina scales to moisture, as long as high strain energy and a partially exposed interface exist. The latter conditions result from severe cyclic oxidation conditions, which produce a highly stressed and partially damaged scale. In one model, it has been proposed that moisture reacts with aluminum in the bond coat to release hydrogen atoms that embrittle the interface. A negative synergistic effect with interfacial sulfur is also invoked.

Smialek, James↗
DOE OSTI2023

COVIDScholar: An automated COVID-19 research aggregation and analysis platform

The ongoing COVID-19 pandemic produced far-reaching effects throughout society, and science is no exception. The scale, speed, and breadth of the scientific community’s COVID-19 response lead to the emergence of new research at the remarkable rate of more than 250 papers published per day. This posed a challenge for the scientific community as traditional methods of engagement with the literature were strained by the volume of new research being produced. Meanwhile, the urgency of response lead to an increasingly prominent role for preprint servers and a diffusion of relevant research through many channels simultaneously. These factors created a need for new tools to change the way scientific literature is organized and found by researchers. With this challenge in mind, we present an overview of COVIDScholar https://covidscholar.org/, an automated knowledge portal which utilizes natural language processing (NLP) that was built to meet these urgent needs. The search interface for this corpus of more than 260,000 research articles, patents, and clinical trials served more than 33,000 users at an average of 2,000 monthly active users and a peak of more than 8,600 weekly active users in the summer of 2020. Additionally, we include an analysis of trends in COVID-19 research over the course of the pandemic with a particular focus on the first 10 months, which represents a unique period of rapid worldwide shift in scientific attention.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1991

Cosmic-ray transport and gamma-ray emission in supernova shells

The mixing and transport of cosmic rays accelerated by a pulsar inside an expanding supernova remnant are examined, and the resulting high-energy gamma-ray emission from nuclear interactions of these accelerated particles in the shell is investigated. Rayleigh-Taylor instability at the interface between a pulsar wind cavity and the inner supernova envelope is assumed to be the mixing mechanism. The analysis is applied to the model of Gaisser, Harding, and Stanev (1987), where protons are accelerated at the reverse shock in the pulsar wind. The instability time-scale is estimated from the dynamics of the pulsar wind cavity, and model the injection, diffusion, and interaction of protons in the shell. The resulting gamma-ray flux is lower than previous estimates due to proton adiabatic losses in the expanding pulsar wind. The protons mix and diffuse only into the innermost regions of the envelope before interacting. Energy-dependent diffusion causes the higher energy gamma-ray light curves to decay faster than those at lower energy.

Harding, A. K.↗
NASA NTRS1999

Ultrasonic Nondestructive Characterization of Adhesive Bonds

Adhesives and adhesive joints are widely used in various industrial applications to reduce weight and costs, and to increase reliability. For example, advances in aerospace technology have been made possible, in part, through the use of lightweight materials and weight-saving structural designs. Joints, in particular, have been and continue to be areas in which weight can be trimmed from an airframe through the use of novel attachment techniques. In order to save weight over traditional riveted designs, to avoid the introduction of stress concentrations associated with rivet holes, and to take full advantage of advanced composite materials, engineers and designers have been specifying an ever-increasing number of adhesively bonded joints for use on airframes. Nondestructive characterization for quality control and remaining life prediction has been a key enabling technology for the effective use of adhesive joints. Conventional linear ultrasonic techniques generally can only detect flaws (delamination, cracks, voids, etc) in the joint assembly. However, more important to structural reliability is the bond strength. Although strength, in principle, cannot be measured nondestructively, a slight change in material nonlinearity may indicate the onset of failure. Furthermore, microstructural variations due to aging or under-curing may also cause changes in the third order elastic constants, which are related to the ultrasonic nonlinear parameter of the polymer adhesive. It is therefore reasonable to anticipate a correlation between changes in the ultrasonic nonlinear acoustic parameter and the remaining bond strength. It has been observed that higher harmonics of the fundamental frequency are generated when an ultrasonic wave passes through a nonlinear material. It seems that such nonlinearity can be effectively used to characterize bond strength. Several theories have been developed to model this nonlinear effect. Based on a microscopic description of the nonlinear interface binding force, a quantitative method was presented. Recently, a comparison between the experimental and simulated results based on a similar theoretical model was presented. A through-transmission setup for water immersion mode-converted shear waves was used to analyze the ultrasonic nonlinear parameter of an adhesive bond. In addition, ultrasonic guided waves have been used to analyze adhesive or diffusion bonded joints. In this paper, the ultrasonic nonlinear parameter is used to characterize the curing state of a polymer/aluminum adhesive joint. Ultrasonic through-transmission tests were conducted on samples cured under various conditions. The magnitude of the second order harmonic was measured and the corresponding ultrasonic nonlinear parameter was evaluated. A fairly good correlation between the curing condition and the nonlinear parameter is observed. The results show that the nonlinear parameter might be used as a good indicator of the cure state for adhesive joints.

Qu, Jianmin↗
NASA NTRS2004

Te-and Zn-Doped InSb Crystals Grown in Microgravity

In 2002, within the SUBSA (Solidification Using a Baffle in Sealed Ampoules) investigation, seven doped InSb crystals were grown in microgravity at the International Space Station. The key goals of the SUBSA investigation are: (a) to clarify the origin of the melt convection in space laboratories; (b) to reduce melt convection to the level which allows reproducible diffusion-controlled segregation; (e) to explore the submerged baffle process and liquid encapsulation in microgravity. 30 crystal growth experiments were conducted in the ground unit, to optimize the design of flight ampoules and to test the transparent SUBSA furnace developed by TecMasters Inc. The specially designed furnace, allowed observation of the crystal growth process (melting, seeding, motion of the solid-liquid interface, etc.). In the summer of 2002, eight crystal growth experiments were conducted in the Microgravity Science Glovebox (MSG) facility at the ISS. Four Te-doped (k = 0.5) and three Zn-doped (k2.9) crystals were grown on undoped seeds. In one experiment, we were not able to seed and grow. The seven grown crystals were sectioned and analyzed using SIMS. The design of the SUBSA ampoules, the segregation data and the video images obtained during the SUBSA flight experiments will be presented and discussed.

Ostrogorsky, A. G.↗
NASA NTRS2017

Unusual Oxidative Limitations for Al-MAX Phases

Alumina-forming MAX phases are well-known for their excellent oxidation resistance, rivaling many metallic NiAl, NiCrAl, and FeCrAl counterparts and with upper temperature capability possible to approximately1400C. However a number of limitations have been emerging that need to be acknowledged to permit robust performance in demanding applications. Ti2AlC and Ti3AlC2 possess excellent scale adhesion, cyclic oxidation/moisture/volatility resistance, and TBC compatibility. However they are very sensitive to Al content and flux in order to maintain an exclusive Al2O3 scale without runaway oxidation of ubiquitous TiO2 transient scales. Accelerated oxidation has been shown to occur for Al-depleted, damaged, or roughened surfaces at temperatures less than 1200C. Conversely, Cr2AlC is less sensitive to transients, but exhibits volatile losses at 1200C or above if common Cr7C3 impurity phases are present. Poor scale adhesion is exhibited after oxidation at 1150C or above, where spallation occurs at the Cr7C3 (depletion zone) interface. Delayed spallation is significant and suggests a moisture-induced phenomenon similar to non-adherent metallic systems. Re-oxidation of this surface does not reproduce the initial pure Al2O3 behavior, but initiates a less-protective scale. Cr2AlC has also been shown to have good long term bonding with superalloys at 800C, but exhibits significant Beta-NiAl + Cr7C3 diffusion zones at 1100C and above. This may set limits on Cr2AlC as a high temperature TBC bond coat on Ni-based superalloys, while improving corrosion resistance in lower temperature applications.

oxidation resistance↗
DOE OSTI2021

Understanding geopolymer binder-aggregate interfacial characteristics at molecular level

The interfacial characteristics of geopolymer binder to aggregate composites are poorly understood, especially at molecular level. Herein, molecular models are developed to study, for the first time, the geopolymer-aggregate interface. Chemically, various forms of interfacial bonding are characterized, including Al-O-Si bonding through condensation reactions, NaO and H-bonding. An atomic-level interfacial transition zone (ITZ) is identified, attributed to the concentration of –OH groups. Increasing the Si/Al ratio of geopolymer is found to decrease the ITZ density, but have limited effect on the ITZ width. A heterogeneous diffusion characteristic occurs in geopolymer, due to the weak interfacial interaction. Mechanically, lowering the Si/Al ratio promotes the interfacial strength due to the stronger interfacial interaction and higher cross-linking degree in geopolymer. Under loading the interfacial fracture undergoes three stages: crack propagation, chain bridging (including aluminosilicate and ionic bridging) and breakage. The above atomic-level findings may facilitate a better design of geopolymer concrete in engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Microstructure and creep properties of cast near-eutectic Al–Ce–Ni alloys

This study investigates the as-cast and aged microstructures, thermal stability, ambient temperature strengthening, and creep resistance of three ternary Al–Ce–Ni alloys (wt%): near-eutectic Al–10Ce–5Ni (with both eutectic and hypoeutectic regions), hypoeutectic Al-7.5Ce-3.75Ni (with numerous primary Al dendrites), and hypereutectic Al-12.5Ce-6.25Ni (with coarse, blocky primary Al3Ni and Al11Ce3 precipitates and some primary Al dendrites). Depending on the alloy composition and local solidification conditions, the following eutectic morphologies are found: (i) coarse Al–Ce eutectic colonies where Al 11 Ce 3 is in the form of “Chinese script”, (ii) intermingled regions of binary Al–Ce and Al–Ni eutectic colonies, with finer Al 3 Ni and Al 11 Ce 3 fibers, (iii) large ternary eutectic colonies, where the binary Al 3 Ni and Al 11 Ce 3 phases are alternating or intertwining within the individual, fine fibers (diameters of ~60–170 nm, depending on solidification rates), and (iv) ternary eutectic zones (between primary Al dendrites), where fine Al 3 Ni and Al 11 Ce 3 build up a 3D-interconnected network. The high volume fraction of intermetallic phases and extremely fine eutectic spacing/fiber diameter both contribute to high ambient strengthening (higher as-cast microhardness than binary Al–Ce or Al–Ni), and also provide enhanced creep resistance at 300 and 350 °C. Additionally, the alloys are coarsening-resistant up to 425 °C for extended periods, with a gradual decrease in microhardness. The alloys aged at 400 °C to 1050 h show fiber fragmentation and coarsening of the resulting particles, with the faster-diffusing Ni driving more rapid coarsening of the Al 3 Ni particles which engulf finer, more stable Al 11 Ce 3 particles. Severe overaging (performed at 590 °C for 24 h) leads to Al 3 Ni and Al 11 Ce 3 spheroids which remain submicron-sized in eutectic colonies, but micron-sized at colony boundary and at Al dendrite-eutectic interface. Creep resistance at 300 °C of overaged Al–10Ce–5Ni remains substantial, consistent with load-transfer based composite strengthening being an important strengthening mechanism in these alloys, making them excellent candidates for replacement of heavier steel or titanium parts operating under stress up to 300 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effects of potassium treatment on SnO 2 electron transport layers for improvements of perovskite solar cells

SnO 2 has been studied intensively as an electron transport layer (ETL) for highly efficient metal halide perovskite solar cells. However, SnO 2 ETL frequently exhibits defect-related issues associated with the bulk SnO 2 and the perovskite/SnO 2 interface, and to passivate the defect states potassium ion has been used. In order to investigate the passivation effect of potassium ion, we carried out KCl treatment on the solution-processed SnO 2 ETL. It was found that KCl-treatment shifted up conduction band maximum and Fermi energy of SnO 2 , and reduced the band gap of perovskite absorber by K + diffusion, which resulted in a better conduction band alignment at perovskite/SnO 2 . Admittance spectroscopy revealed that diffused K + ions can passivate defects of the perovskite absorber layer. With the improvement of band alignment and defect passivation via the KCl treatment, the J-V hysteresis was almost eliminated and power conversion efficiency was much enhanced with improved open-circuit voltage and fill factor.

14 SOLAR ENERGY↗
NASA NTRS1990

Influence of convection on microstructure

The mechanism responsible for the difference in microstructure caused by solidifying the MnBi-Bi eutectic in space is sought. The objectives for the three year period are as follows: (1) completion of the following theoretical analyses - determination of the influence of the Soret effect on the average solid composition versus distance of off-eutectic mixtures directionally solidified in the absence of convection, determination of the influence of convection on the microstructure of off-eutectic mixtures using a linear velocity profile in the adjacent melt, determination of the influence of volumetric changes during solidification on microconvection near the freezing interface and on microstructure, and determination of the influence of convection on microstructure when the MnBi fibers project out in front of the bismuth matrix; (2) search for patterns in the effect of microgravity on different eutectics (for example, eutectic composition, eutectic temperature, usual microstructure, densities of pure constituents, and density changes upon solidification); and (3) determination of the Soret coefficient and the diffusion coefficient for Mn-Bi melts near the eutectic composition, both through laboratory experiements to be performed here and from data from Shuttle experiments.

Wilcox, William R.↗
NASA NTRS2001

Direct comparison of the impact of head tracking, reverberation, and individualized head-related transfer functions on the spatial perception of a virtual speech source

A study of sound localization performance was conducted using headphone-delivered virtual speech stimuli, rendered via HRTF-based acoustic auralization software and hardware, and blocked-meatus HRTF measurements. The independent variables were chosen to evaluate commonly held assumptions in the literature regarding improved localization: inclusion of head tracking, individualized HRTFs, and early and diffuse reflections. Significant effects were found for azimuth and elevation error, reversal rates, and externalization.

NASA Discipline Space Human Factors↗
DOE OSTI2025

Joint state-parameter estimation for the reduced fracture model via the united filter

Here, in this paper, we introduce an effective United Filter method for jointly estimating the solution state and physical parameters in flow and transport problems within fractured porous media. Fluid flow and transport in fractured porous media are critical in subsurface hydrology, geophysics, and reservoir geomechanics. Reduced fracture models, which represent fractures as lower-dimensional interfaces, enable efficient multi-scale simulations. However, reduced fracture models also face accuracy challenges due to modeling errors and uncertainties in physical parameters such as permeability and fracture geometry. To address these challenges, we propose a United Filter method, which integrates the Ensemble Score Filter (EnSF) for state estimation with the Direct Filter for parameter estimation. EnSF, based on a score-based diffusion model framework, produces ensemble representations of the state distribution without deep learning. Meanwhile, the Direct Filter, a recursive Bayesian inference method, estimates parameters directly from state observations. The United Filter combines these methods iteratively: EnSF estimates are used to refine parameter values, which are then fed back to improve state estimation. Numerical experiments demonstrate that the United Filter method surpasses the state-of-the-art Augmented Ensemble Kalman Filter, delivering more accurate state and parameter estimation for reduced fracture models. This framework also provides a robust and efficient solution for PDE-constrained inverse problems with uncertainties and sparse observations.

Bayesian inference↗
NASA NTRS1993

A flux-limited treatment for the conductive evaporation of spherical interstellar gas clouds

In this work, we present and analyze a new analytic solution for the saturated (flux-limited) thermal evaporation of a spherical cloud. This work is distinguished from earlier analytic studies by allowing the thermal conductivity to change continuously from a diffusive to a saturated form, in a manner usually employed only in numerical calculations. This closed form solution will be of interest as a computational benchmark. Using our calculated temperature profiles and mass-loss rates, we model the thermal evaporation of such a cloud under typical interstellar medium (ISM) conditions, with some restrictions. We examine the ionization structure of the cloud-ISM interface and evaluate column densities of carbon, nitrogen, oxygen, neon, and silicon ions toward the cloud. In accord with other investigations, we find that ionization equilibrium is far from satisfied under the assumed conditions. Since the inclusion of saturation effects in the heat flux narrows the thermal interface relative to its classical structure, we also find that saturation effects tend to lower predicted column densities.

Dalton, William W.↗
NASA NTRS1999

Effect of Interface Shape and Magnetic Field on the Microstructure of Bulk Ge:Ga

Thermal and compositional gradients induced during the growth process contribute significantly to the development of defects in the solidified boule. Thermal gradients and the solid-liquid interface shape can be greatly effected by ampoule material. Compositional gradients are strongly influenced by interface curvature and convective flow in the liquid. Results of this investigation illustrate the combined influences of interface shape and convective fluid flow. An applied magnetic field was used to reduce the effects of convective fluid flow in the electrically conductive melt during directional solidification. Several 8 mm diameter boules of Ga-doped Ge were grown at different field strengths, up to 5 Tesla, in four different ampoule materials. Compositional profiles indicate mass transfer conditions ranged from completely mixed to diffusion controlled. The influence of convection in the melt on the developing crystal microstructure and defect density was investigated as a function of field strength and ampoule material. Chemical etching and electron backscattered electron diffraction were used to map the crystal structure of each boule along the center plane. Dislocation etch pit densities were measured for each boule. Results show the influence of magnetic field strength and ampoule material on overall crystal quality.

Cobb, S. D.↗
DOE OSTI2023

Surface coverage dynamics for reversible dissociative adsorption on finite linear lattices

Dissociative adsorption onto a surface introduces dynamic correlations between neighboring sites not found in non-dissociative absorption. We study surface coverage dynamics where reversible dissociative adsorption of dimers occurs on a finite linear lattice. We derive analytic expressions for the equilibrium surface coverage as a function of the number of reactive sites, N, and the ratio of the adsorption and desorption rates. Using these results, we characterize the finite size effect on the equilibrium surface coverage. For comparable N’s, the finite size effect is significantly larger when N is even than when N is odd. Moreover, as N increases, the size effect decays more slowly in the even case than in the odd case. The finite-size effect becomes significant when adsorption and desorption rates are considerably different. These finite-size effects are related to the number of accessible configurations in a finite system where the odd-even dependence arises from the limited number of accessible configurations in the even case. We confirm our analytical results with kinetic Monte Carlo simulations. We also analyze the surface-diffusion case where adsorbed atoms can hop into neighboring sites. As expected, the odd-even dependence disappears because more configurations are accessible in the even case due to surface diffusion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗