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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Well-Balanced Second-Order Convex Limiting Technique for Solving the Serre–Green–Naghdi Equations

In this article, we introduce a numerical method for approximating the dispersive Serre–Green–Naghdi equations with topography using continuous finite elements. The method is an extension of the hyperbolic relaxation technique introduced in Guermond et al. (J Comput Phys 450:110809, 2022). It is explicit, second-order accurate in space, third-order accurate in time, and is invariant-domain preserving. It is also well balanced and parameter free. Special attention is given to the convex limiting technique when physical source terms are added in the equations. The method is verified with academic benchmarks and validated by comparison with laboratory experimental data.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2001

Modified Mode-I Cracked Sandwich Beam (CSB) Fracture Test

Five composite sandwich panels were fabricated using vacuum assisted resin transfer molding (VARTM). Four of these panels had E-glass/vinylester facesheets and one had carbon/epoxy facesheets. The sandwich panels had different density PVC foam cores. The four E-glass panels had core densities of 80, 100, 130, 200 kg/cu m. The sandwich with carbon/epoxy 3 facesheets had a core with density of 100 kg/cu m. Fracture tests were conducted using a modified Cracked Sandwich Beam (CSB) test configuration. Load displacement curves were obtained for loading and unloading of the specimens during crack growth. Various increments of crack growth were monitored. Critical Strain Energy Release Rates (SERR) were determined from the tests using the area method. The critical values of SERR can be considered the fracture toughness of the sandwich material. The fracture toughness ranged 367 J/sq m to 1350 J/sq m over the range of core densities. These results are compared to the Mode-I fracture toughness of the PVC foam core materials and values obtained for foam-cored sandwiches using the TSD specimen. Finite-element analyses (FEA) were performed for the test configuration and Strain Energy Release Rates were calculated using the Virtual Crack Closure Technique (VCCT). The SERR values determined from the FEA were scaled to the fracture loads, or critical loads, obtained from the modified CSB tests. These critical loads were in close agreement with the test values.

Smith, S. A.↗
NASA NTRS2004

Fracture Mechanics Analysis of an Annular Crack in a Three-concentric-cylinder Composite Model

A boundary-value problem governing a three-phase concentric-cylinder model was analytically modeled to analyze annular interfacial crack problems with Love s strain functions in order to find the stress intensity factors (SIFs) and strain energy release rates (SERRs) at the tips of an interface crack in a nonhomogeneous medium. The complex form of a singular integral equation (SIE) of the second kind was formulated using Bessel s functions in the Fourier domain, and the SIF and total SERR were calculated using Jacoby polynomials. For the validity of the SIF equations to be established, the SIE of the three-concentric-cylinder model was reduced to the SIE for a two-concentric-cylinder model, and the results were compared with the previous results of Erdogan. A preliminary set of parametric studies was carried out to show the effect of interphase properties on the SERR. The method presented here provides insight about the effect of interphase properties on the crack driving force.

Kuguoglu, Latife H.↗
NASA NTRS1999

Ionizing radiation-induced mutagenesis: radiation studies in Neurospora predictive for results in mammalian cells

Ionizing radiation was the first mutagen discovered and was used to develop the first mutagenicity assay. In the ensuing 70+ years, ionizing radiation became a fundamental tool in understanding mutagenesis and is still a subject of intensive research. Frederick de Serres et al. developed and used the Neurospora crassa ad-3 system initially to explore the mutagenic effects of ionizing radiation. Using this system, de Serres et al. demonstrated the dependence of the frequency and spectra of mutations induced by ionizing radiation on the dose, dose rate, radiation quality, repair capabilities of the cells, and the target gene employed. This work in Neurospora predicted the subsequent observations of the mutagenic effects of ionizing radiation in mammalian cells. Modeled originally on the mouse specific-locus system developed by William L. Russell, the N. crassa ad-3 system developed by de Serres has itself served as a model for interpreting the results in subsequent systems in mammalian cells. This review describes the primary findings on the nature of ionizing radiation-induced mutagenesis in the N. crassa ad-3 system and the parallel observations made years later in mammalian cells.

NASA Discipline Radiation Health↗
DOE OSTI2025

Computational discovery of a novel double transition metal nitride MXene and its applications as an anchoring and catalytic material in Li–Se batteries

Double transition metal (DTM) nitride MXenes offer enhanced electrical conductivity and tunable catalytic properties compared to conventional carbide-based MXenes. In this study, we employed first-principles density functional theory (DFT) calculations to discover and computationally validate a novel DTM nitride MXene, Nb 2 TiN 2 , derived from its MAX phase precursor and investigated its potential as an anchoring material (AM) for Li–Se batteries. This newly proposed MXene expands the compositional landscape of DTM nitrides and opens new avenues for functional material design. We performed a comprehensive analysis of the thermodynamic and electronic properties of Nb 2 TiAlN 2 , and the MAX phase precursor to Nb 2 TiN 2 to assess its structural stability and exfoliation potential. Exfoliation energy calculations confirmed the feasibility of synthesizing Nb 2 TiN 2 from Nb 2 TiAlN 2 . We then explored the functionalized form, Nb 2 TiN 2 S 2 , evaluating its capability to serve as an effective anchoring material (AM) in Li–Se batteries by analyzing the reaction mechanisms and kinetics of the selenium reduction reaction (SeRR). Our results indicate that Nb 2 TiN 2 S 2 exhibits a strong binding affinity for lithium polyselenides (Li 2 Se n ), effectively suppressing the shuttle effect. Gibbs free energy calculations for the rate-limiting step of the SeRR reveal favorable kinetics and reduced reaction barriers. Overall, this study provides a detailed evaluation of the structural and electronic properties of a newly proposed DTM nitride MXene and its S-functionalized derivative and the catalyzing effect of Nb 2 TiN 2 S 2 in accelerating the reaction kinetics in Li–Se batteries. These findings underscore the potential importance of the further exploration of MXenes to address current challenges in high-performance Li–Se batteries.

25 ENERGY STORAGE↗
NASA NTRS1987

Strain energy release rates of composite interlaminar end-notch and mixed-mode fracture: A sublaminate/ply level analysis and a computer code

A computer code is presented for the sublaminate/ply level analysis of composite structures. This code is useful for obtaining stresses in regions affected by delaminations, transverse cracks, and discontinuities related to inherent fabrication anomalies, geometric configurations, and loading conditions. Particular attention is focussed on those layers or groups of layers (sublaminates) which are immediately affected by the inherent flaws. These layers are analyzed as homogeneous bodies in equilibrium and in isolation from the rest of the laminate. The theoretical model used to analyze the individual layers allows the relevant stresses and displacements near discontinuities to be represented in the form of pure exponential-decay-type functions which are selected to eliminate the exponential-precision-related difficulties in sublaminate/ply level analysis. Thus, sublaminate analysis can be conducted without any restriction on the maximum number of layers, delaminations, transverse cracks, or other types of discontinuities. In conjunction with the strain energy release rate (SERR) concept and composite micromechanics, this computational procedure is used to model select cases of end-notch and mixed-mode fracture specimens. The computed stresses are in good agreement with those from a three-dimensional finite element analysis. Also, SERRs compare well with limited available experimental data.

Valisetty, R. R.↗
NASA NTRS1999

Analysis of a Generally Oriented Crack in a Functionally Graded Strip Sandwiched Between Two Homogeneous Half Planes

The driving forces for a generally oriented crack embedded in a Functionally Graded strip sandwiched between two half planes are analyzed using singular integral equations with Cauchy kernels, and integrated using Lobatto-Chebyshev collocation. Mixed-mode Stress Intensity Factors (SIF) and Strain Energy Release Rates (SERR) are calculated. The Stress Intensity Factors are compared for accuracy with previously published results. Parametric studies are conducted for various nonhomogeneity ratios, crack lengths. crack orientation and thickness of the strip. It is shown that the SERR is more complete and should be used for crack propagation analysis.

Shbeeb, N.↗
DOE OSTI2020

Surface Enhanced Raman Scattering Selectivity in Proteins Arises from Electron Capture and Resonant Enhancement of Radical Species

Plasmon-enhanced Raman scattering is a powerful approach to detecting and characterizing proteins in live and dynamic biological systems. However, the selective detection/enhancement of specific residues as well as spectral diffusion and fluctuations have complicated the interpretation of enhanced Raman spectra and images of biological matter. In this paper, we therefore demonstrate that the amino acid tryptophan (Trp) can capture an electron from an excited plasmon, which generates a radical anion that is resonantly enhanced: a visible excited electronic state slides into resonance upon charging. This surface enhanced resonance Raman scattering (SERRS) mechanism explains the persistence of Trp signatures in the SERS and TERS spectra of proteins. Evidence for this picture includes the observation of visible resonances in the UV-Vis extinction spectrum, changes in the ground state vibrational spectrum, and plasmon-resonance dependent behavior. DFT calculations support the experimental observations. The behavior observed from the free Trp molecule is shown to explain the SERS spectrum of the Trp-cage protein. In effect, resonant Raman scattering from radicals formed through plasmonic excitation represents an under-investigated mechanism that may be exploited for chemical sensing applications. This work was supported by the National Institutes of Health Award R01-GM109988. The authors thank Hannah Shafaat for helpful discussions and providing an azurin sample for comparison. The authors also thank Joel Harris for providing constructive comments on our manuscript.

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

Editorial: Rising stars in plant ROS/redox biology under abiotic stress conditions

Plants are constantly subjected to a wide range of abiotic stresses including salinity, high temperatures, drought, or cold, among others, that negatively impact their growth and development and cause crop yield losses worldwide (Lesk et al., 2016; Bailey-Serres et al., 2019). These stress conditions induce the accumulation of reactive oxygen species (ROS) such as hydrogen peroxide (H 2 O 2 ), superoxide ($O_{2•}$$^—$), singlet oxygen ($^1O_2$), or hydroxyl radical (HO·). ROS play a key role in stress sensing and signaling, as well as in the activation of different mechanism involved in plant acclimation to different stresses (Mittler et al., 2022). However, ROS levels that are too high are cytotoxic (Mittler, 2017). To prevent cellular oxidation by ROS, an interplay between ROS production, scavenging and transport maintains ROS at controlled concentrations, as well as drives ROS signaling responses involved in plant acclimation to stress (Baxter et al., 2014; Mittler et al., 2022).

protein carbonylation↗
NASA NTRS1988

Fracture toughness computational simulation of general delaminations in fiber composites

A procedure is described to computationally simulate composite laminate fracture toughness in terms of strain energy release rate (SERR). It is also used to evaluate the degradation in laminate structural integrity in terms of displacements, loss in stiffness, loss in vibration frequencies and loss in buckling resistance. Specific laminates are selected for detail studies in order to demonstrate the generality of the procedure. These laminates had center delaminations, off-center delaminations, and pocket delaminations (center and off-center) at the free-edge and center delaminations at the interior. The laminates had two different thicknesses and were made from three different materials. The results obtained are presented in graphical form to illustrate the effects of delamination on the laminate structural integrity and on the laminate strain energy release rate (composite fracture toughness).

Murthy, P. L. N.↗
NASA NTRS1995

Driving Force Analysis in an Infinite Anisotropic Plate with Multiple Crack Interactions

The methodology and a rigorous solution formulation are presented for stress intensity factors (SIF's, k) and total strain energy release rates (SERR, G(sub T)) of a multicracked plate, that has fully interacting cracks and is subjected to a far-field arbitrary stress state. The fundamental perturbation problem is derived, and the steps needed to formulate the system of singular integral equations whose solution gives rise to the evaluation of the SIF's are identified. Parametric studies are conducted for two, three, and four crack problems. The sensitivity and characteristics of the model is demonstrated.

Binienda, Wieslaw K.↗
NASA NTRS2010

Surface-Enhanced X-Ray Fluorescence

Surface-enhanced x-ray fluorescence (SEn-XRF) spectroscopy is a form of surface- enhanced spectroscopy that was conceived as a means of obtaining greater sensitivity in x-ray fluorescence (XRF) spectroscopy. As such, SEn-XRF spectroscopy joins the ranks of such other, longer-wavelength surface-enhanced spectroscopies as those based on surface-enhanced Raman scattering (SERS), surface-enhanced resonance Raman scattering (SERRS), and surfaceenhanced infrared Raman absorption (SEIRA), which have been described in previous NASA Tech Briefs articles. XRF spectroscopy has been used in analytical chemistry for determining the elemental compositions of small samples. XRF spectroscopy is rapid and quantitative and has been applied to a variety of metal and mineralogical samples. The main drawback of XRF spectroscopy as practiced heretofore is that sensitivity has not been as high as required for some applications. In SEn-XRF as in the other surface-enhanced spectroscopies, one exploits several interacting near-field phenomena, occurring on nanotextured surfaces, that give rise to local concentrations of incident far-field illumination. In this case, the far-field illumination comes from an x-ray source. Depending on the chemical composition and the geometry of a given nanotextured surface, these phenomena could include the lightning-rod effect (concentration of electric fields at the sharpest points on needlelike surface features), surface plasmon resonances, and grazing incidence geometric effects. In the far field, the observable effect of these phenomena is an increase in the intensity of the spectrum of interest - in this case, the x-ray fluorescence spectrum of chemical elements of interest that may be present within a surface layer at distances no more than a few nanometers from the surface.

Anderson, Mark↗
NASA NTRSDate not supplied

An Investigation on the Accuracy of Delamination Analysis Predictions for Unidirectional Laminate Configurations

The state-of-the-art methodologies for predicting delamination growth in composite laminates make use of the concept of mixed-mode fracture mechanics. In mixed-mode fracture approaches the individual Mode I, Mode II and Mode III components of the strain energy release rate (SERR) need to be determined under general loading conditions. Through the use of mixed-mode fracture, the individual components are used in combination with the critical strain energy release rates (interlaminar fracture toughnesses) for each fracture mode in a mixed mode criterion in order to predict delamination extension. These interlaminar fracture toughnesses are traditionally obtained by testing of unidirectional laminate coupons. This work presents an investigation on the accuracy of Double Cantilever Beam (DCB), End Notch Flexure (ENF) and Mixed-Mode Bending (MMB) delamination analysis predictions by comparing measured total strain-energy release rates obtained experimentally to results for structural analysis from closed-form expressions, shell finite element analysis, and continuum two-dimensional (2D) and three-dimensional (3D) (solid) finite element analysis.

Patrick Enjuto↗
NASA NTRSDate not supplied

Wearable Protective Technologies

We are currently creating protective garments to be worn during the duration of SPE (solar particle events). Several garment prototypes have been created to protect the body, but nothing has been created for head protection. My focus during this internship was creating headgear designs. Some of the big requirements of an effective headgear design is that the hood design needs to cover the forehead and not have any gaps between the hood and neckline, and the areal density of radiation shielding needs to be at least 1.5 g/cm2. My designs were inspired by many different brands and designers including Nike’s outerwear selection, Moncler’s Fall 20 Genius collaborations with Simone Rocha, Craig Green, and Alyx, Marine Serre F/W 20, and A-Cold-Wall S/S 19. All of these had great examples of hood and vest designs. Many sketches were created from these and many other inspirations. Pattern development began by taking several measurements of the head and neck. I drafted the hood to cover the forehead and cover the neck. After the initial draft, the pattern was modified to accommodate a center panel to contour and shape the hood further. I also created a shoulder drape based on a kimono sleeve to add extra coverage over the neckline of the garment from a basic sloper’s neckline and shoulders. Radiation shielding was a special consideration in my design work. I did extensive research on different materials and ways to incorporate them into garments and found that I was not limited to polypropylene or polyethylene. Many common textiles are hydrogen rich, such as cotton, polyester, and silk, and could be incorporated into designs as radiation shielding. From this research, I am in the process of creating a prototype that uses these materials as shielding. I will be returning for the summer and hope to put more of the ideas I have into production.

Nicole Dugan↗
DOE OSTI2020

Compositions and methods for making selenocysteine containing polypeptides

Non-naturally occurring tRNASec and methods of using them for recombinant expression of proteins engineered to include one or more selenocysteine residues are disclosed. The non-naturally occurring tRNASec can be used for recombinant manufacture of selenocysteine containing polypeptides encoded by mRNA without the requirement of an SECIS element. In some embodiments, selenocysteine containing polypeptides are manufactured by co-expressing a non-naturally occurring tRNASec a recombinant expression system, such as E. coli, with SerRS, EF-Tu, SelA, or PSTK and SepSecS, and an mRNA with at least one codon that recognizes the anticodon of the non-naturally occurring tRNASec.

Soll, Dieter↗
DOE OSTI2023

Compositions and methods for making selenocysteine containing polypeptides

Non-naturally occurring tRNA Sec and methods of using them for recombinant expression of proteins engineered to include one or more selenocysteine residues are disclosed. The non-naturally occurring tRNA Sec can be used for recombinant manufacture of selenocysteine containing polypeptides encoded by mRNA without the requirement of an SECIS element. In some embodiments, selenocysteine containing polypeptides are manufactured by co-expressing a non-naturally occurring tRNASec a recombinant expression system, such as E. coli, with SerRS, EF-Tu, SelA, or PSTK and SepSecS, and an mRNA with at least one codon that recognizes the anticodon of the non-naturally occurring tRNA Sec .

Soll, Dieter↗
DOE OSTI2022

How Reproducible are Surface Areas Calculated from the BET Equation?

Abstract Porosity and surface area analysis play a prominent role in modern materials science. At the heart of this sits the Brunauer–Emmett–Teller (BET) theory, which has been a remarkably successful contribution to the field of materials science. The BET method was developed in the 1930s for open surfaces but is now the most widely used metric for the estimation of surface areas of micro‐ and mesoporous materials. Despite its widespread use, the calculation of BET surface areas causes a spread in reported areas, resulting in reproducibility problems in both academia and industry. To prove this, for this analysis, 18 already‐measured raw adsorption isotherms were provided to sixty‐one labs, who were asked to calculate the corresponding BET areas. This round‐robin exercise resulted in a wide range of values. Here, the reproducibility of BET area determination from identical isotherms is demonstrated to be a largely ignored issue, raising critical concerns over the reliability of reported BET areas. To solve this major issue, a new computational approach to accurately and systematically determine the BET area of nanoporous materials is developed. The software, called “BET surface identification” (BETSI), expands on the well‐known Rouquerol criteria and makes an unambiguous BET area assignment possible.

36 MATERIALS SCIENCE↗