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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

Application of perturbation methods to improve analytical model correlation with test data

A linear perturbation method developed by White (1972) to improve the correlation between analytical models and experimental data is applied to modeling of the Viking Propulsion Subsystem (VPS), flown successfully as part of the Viking Spacecraft launch of 1975. Analytical models and modal test data developed for the VPS are employed in the application; a set of mathematically generated data and a corresponding perturbed analytical model, representative of actual flight hardware, are also subjected to the White method. It is found that the linear perturbation method does not yield a single unique improved model.

Garba, J. A.↗
DOE OSTI2021

Determination of affinities of lanthanide-binding proteins using chelator-buffered titrations

The recent discoveries of the first proteins that bind lanthanides as part of their biological function not only are relevant to the emerging field of lanthanide-dependent biology, but also hold promise to revolutionize the technologically critical rare earths industry. Although protocols to assess the thermodynamics of metal–protein interactions are well established for “traditional” metal ions in biology, the characterization of lanthanide-binding proteins presents a challenge to biochemists due to the lanthanides' Lewis acidity, propensity for hydrolysis, and high-affinity complexes with biological ligands. These properties necessitate the preparation of metal stock solutions with very low buffered “free” metal concentrations (e.g., femtomolar to nanomolar) for such determinations. Here in this paper we describe several protocols to overcome these challenges. First, we present standardization methods for the preparation of chelator-buffered solutions of lanthanide ions with easily calculated free metal concentrations. We also describe how these solutions can be used in concert with analytical methods including UV–visible spectrophotometry, circular dichroism spectroscopy, Förster resonance energy transfer (FRET), and sensitized terbium luminescence, in order to accurately determine dissociation constants (K d s) of lanthanide–protein complexes. Finally, we highlight how application of these methods to lanthanide-binding proteins, such as lanmodulin, has yielded insights into selective recognition of lanthanides in biology. We anticipate that these protocols will facilitate discovery and characterization of additional native lanthanide-binding proteins, will motivate the understanding of their biological context, and will prompt their applications in biotechnology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Measuring bio-oil upgrade intermediates and corrosive species with polarity-matched analytical approaches

Integrating biofuels with conventional petroleum products requires improvements in processing to increase blendability with existing fuels. This work demonstrates analysis techniques for more hydrophilic bio-oil liquids that give improved quantitative and qualitative description of the total acid content and organic acid profiles. To protect infrastructure from damage and reduce the cost associated with upgrading, accurate determination of acid content and representative chemical compound analysis are central imperatives to assessing both the corrosivity and the progress toward removing oxygen and acidity in processed biomass liquids. Established techniques form an ample basis for bio-liquids evaluation. However, early in the upgrading process, the unique physical phases and varied hydrophilicity of many pyrolysis liquids can render analytical methods originally designed for use in petroleum-derived oils inadequate. In this work, the water solubility of the organic acids present in bio-oils is exploited in a novel extraction and titration technique followed by analysis on the water-based capillary electrophoresis (CE) platform. The modification of ASTM D664, the standard for Total Acid Number (TAN), to include aqueous carrier solvents improves the utility of that approach for quantifying acid content in hydrophilic bio-oils. Termed AMTAN (modified Total Acid Number), this technique offers 1.2% relative standard deviation and dynamic range comparable to the conventional ASTM method. Furthermore, the results of corrosion product evaluations using several different sources of real bio-oil are discussed in the context of the unique AMTAN and CE analytical approaches developed to facilitate those measurements.

09 BIOMASS FUELS↗
DOE OSTI2026

Random forest models accurately classify synthetic opioids using high-dimensionality mass spectrometry datasets

Detection of novel threat agents presents several challenges, a principle one being the development of untargeted methods to screen an increasing number of threat chemicals whose exact structures are unknown. With the use of Machine Learning (ML) tools, we can guide the development of analytical methods for broad-spectrum detection of unbounded threat chemical families in complex mixtures. Toward this goal, we used nominal mass and high-resolution mass spectrometry data for hundreds of synthetic opioids and non-opioid compounds. We tested two ML techniques, logistic regression and random forest, to develop models towards a practical, implementable method for opioid detection. We found that of these tested ML methods, random forest models resulted in the highest validation accuracy (95+%) for both nominal mass and high-resolution classification of opioids versus non-opioids, with low false positive and false negative rates. The RF models were then used to successfully predict the classification of 10 compounds—five opioids and five non-opioids not part of the training and validation analysis. This application of ML is a critical step towards the development of field-deployable nominal mass spectrometers with ML-driven analyses for classification of emergent threats.

Chemistry↗
DOE OSTI2014

Backscattering and absorption coefficients for electrons: Solutions of invariant embedding transport equations using a method of convergence

The backscattering coefficient is a magnitude whose measurement is fundamental for the characterization of materials with techniques that make use of particle beams and particularly when performing microanalysis. In this work, we report the results of an analytic method to calculate the backscattering and absorption coefficients of electrons in similar conditions to those of electron probe microanalysis. Starting on a five level states ladder model in 3D, we deduced a set of integro-differential coupled equations of the coefficients with a method know as invariant embedding. By means of a procedure proposed by authors, called method of convergence, two types of approximate solutions for the set of equations, namely complete and simple solutions, can be obtained. Although the simple solutions were initially proposed as auxiliary forms to solve higher rank equations, they turned out to be also useful for the estimation of the aforementioned coefficients. In previous reports, we have presented results obtained with the complete solutions. In this paper, we present results obtained with the simple solutions of the coefficients, which exhibit a good degree of fit with the experimental data. Both the model and the calculation method presented here can be generalized to other techniques that make use of different sorts of particle beams.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Random forest models accurately classify synthetic opioids using high-dimensionality mass spectrometry datasets

Detection of novel threat agents presents several challenges, a principle one being the development of untargeted methods to screen an increasing number of threat chemicals whose exact structures are unknown. With the use of Machine Learning (ML) tools, we can guide the development of analytical methods for broad-spectrum detection of unbounded threat chemical families in complex mixtures. Toward this goal, we used nominal mass and high-resolution mass spectrometry data for hundreds of synthetic opioids and non-opioid compounds. We tested two ML techniques, logistic regression and random forest, to develop models towards a practical, implementable method for opioid detection. We found that of these tested ML methods, random forest models resulted in the highest validation accuracy (95+%) for both nominal mass and high-resolution classification of opioids versus non-opioids, with low false positive and false negative rates. The RF models were then used to successfully predict the classification of 10 compounds—five opioids and five non-opioids not part of the training and validation analysis. This application of ML is a critical step towards the development of field-deployable nominal mass spectrometers with ML-driven analyses for classification of emergent threats.

Arasteh, Kourosh [Lawrence Livermore National Labo↗
DOE OSTI2014

Experimental Design for a Macrofoam-Swab Study Relating the Recovery Efficiency and False Negative Rate to Low Concentrations of Two Bacillus anthracis Surrogates on Four Surface Materials

This report describes the experimental design for a laboratory study to quantify the recovery efficiencies and false negative rates of a validated, macrofoam-swab sampling method for low concentrations of Bacillus anthracis Sterne (BAS) and Bacillus atrophaeus (BG) spores on four surface materials (stainless steel, glass, vinyl tile, plastic light cover panel). Two analytical methods (culture and polymerase chain reaction) will be used. Only one previous study has investigated how the false negative rate depends on test factors. The surrogates BAS and BG have not been tested together in the same study previously. Hence, this study will provide for completing gaps in the available information on the performance of macrofoam-swab sampling at low concentrations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Analysis and Testing of Parsons NGS Solvent Formulation

Three drums containing solvent used during the Next Generation Solvent Test (NGST) conducted by Parsons in 2014-2015 were received at SRNL. After homogenization, samples from each drum were removed, and a composite sample prepared. This composite was analyzed to determine current SRNL characterization method efficacy, and to determine if the 1,3-dicyclohexyl-2- (isotridecyl) guanidine (DCiTG) suppressor could be selectively removed. The results of this work indicate that the titration analytical method currently employed at SRNL is effective at quantitating the DCiTG. The nuclear magnetic resonance (NMR) method at SRNL can detect the DCiTG, as well its amine and urea decomposition products. However, further development work will be required to allow the 1 H NMR method to quantitate these species. A series of three washing tests were performed on composite samples of the solvent. The results show that up to 67% of the DCiTG was removed from the solvent by simple washing, at multiple ratios of solvent: aqueous phase. This may indicate that a simple pathway exists to wash out the DCiTG and reclaim the solvent (~150 gallons) for future use at the Salt Waste Processing Facility (SWPF).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1988

Summary of analytical model improvement method and related technology

The research project which resulted in the AMI (Analytical Model Improvement) method was funded by the Langley Research Center from 1979 through 1985. The objective was to develop a method for obtaining improved dynamic models of structures by using both test data and numerical analysis. The research was successfully performed and the method was applied to a real structure having a realistic NASTRAN model with over 500 degrees of freedom. The method and its application are briefly discussed as well as other indirect benefits in related technical areas.

Berman, Alex↗
NASA NTRS1996

Minimum Weight Design of a Generic Axisymmetric Inlet

A new minimum weight design method for high-speed axisymmetric inlets was demonstrated on a generic inlet. The method uses Classical Beam Theory and shell buckling to determine the minimum required equivalent isotropic thickness for a stiffened shell based on prescribed structural design requirements and load conditions. The optimum spacing and equivalent isotropic thickness of ring frame supports are computed to prevent buckling. The method thus develops a preliminary structural design for the inlet and computes the structural weight. Finite element analyses were performed on the resulting inlet design to evaluate the analytical results. Comparisons between the analytical and finite element stresses and deflections identified areas needing improvement in the analytical method. The addition of the deflection due to shear and a torsional buckling failure mode to the new method brought its results in line with those from the finite element analyses. Final validation of the new method will be made using data from actual inlets.

Nadell, Shari-Beth↗
NASA NTRSDate not supplied

Verifying Autonomous Air Traffic Algorithms in the Presence of Sensor Error and Flight Perturbations

We offer a method to verify algorithms for air traffic control in the presence of sensor errors and flight perturbations. Since errors and perturbations are described by stochastic processes, verification by analytical methods is difficult. We turn to Monte Carlo simulation, but there are two major obstacles. Since air traffic algorithms are safety-critical, the algorithm must be established at a very high confidence level which requires an enormous number of trials. Another is that a simulation attempts to show that an algorithm correctly handles a hazard that might appear, but there is a lack of information about the frequency of occurrence of hazards in the airspace. This paper offers a solution to these and other obstacles. It recognizes there may be a number of algorithms that address different hazards, and the results of the different simulations must be combined to satisfy a global reliability requirement at a high confidence level. To demonstrate the feasibility of the approach, we apply it to an example, an initial effort in collision avoidance.

verification↗
DOE OSTI2023

Comprehensive analysis of common polymers using hyphenated TGA-FTIR-GC/MS and Raman spectroscopy towards a database for micro- and nanoplastics identification, characterization, and quantitation

Environmental contamination by micro- and nanoplastics (MNPs) is well documented with potential for their increased accumulation globally. Growing public concern over environmental, ecological, and human exposure to MNPs has led to exponential increase in publications, news articles, and reports. Significant knowledge gap exists in standardized analytical methods for the identification and quantification of MNPs from real world environmental samples. Here, in this study, we report comprehensive datasets utilizing thermogravimetric analyzer (TGA) coupled to a Fourier transformed infrared spectrometer (FTIR) and a gas chromatography/mass spectrometer (GC/MS) with corresponding Raman spectral data for the most common polymers documented to be present in the environment (35 plastics of 12 polymer types), to serve as a base line reference for the identification and quantitation of MNPs. Various parameters for TGA-FTIR-GC/MS data acquisition were optimized. Commercial consumer plastic product compositions were identified using this analytical database. Case studies to showcase the utility of the method for polymer mixtures analysis is included. This dataset would serve towards the development of a collaborative, global, comprehensive, and curated public database for the identification of various MNPs and mixtures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Super-resolved time–frequency measurements of coupled phonon dynamics in a 2D quantum material

Abstract Methods to probe and understand the dynamic response of materials following impulsive excitation are important for many fields, from materials and energy sciences to chemical and neuroscience. To design more efficient nano, energy, and quantum devices, new methods are needed to uncover the dominant excitations and reaction pathways. In this work, we implement a newly-developed superlet transform—a super-resolution time-frequency analytical method—to analyze and extract phonon dynamics in a laser-excited two-dimensional (2D) quantum material. This quasi-2D system, 1 T -TaSe 2 , supports both equilibrium and metastable light-induced charge density wave (CDW) phases mediated by strongly coupled phonons. We compare the effectiveness of the superlet transform to standard time-frequency techniques. We find that the superlet transform is superior in both time and frequency resolution, and use it to observe and validate novel physics. In particular, we show fluence-dependent changes in the coupled dynamics of three phonon modes that are similar in frequency, including the CDW amplitude mode, that clearly demonstrate a change in the dominant charge-phonon couplings. More interestingly, the frequencies of the three phonon modes, including the strongly-coupled CDW amplitude mode, remain time- and fluence-independent, which is unusual compared to previously investigated materials. Our study opens a new avenue for capturing the coherent evolution and couplings of strongly-coupled materials and quantum systems.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Impact of Blend Proportion on the Miscibility and Thermal Characteristics of Synthetic Plastic-Derived Polypentapeptide with Commercially Available Polyvinyl Alcohol

Plastic-based polypeptides are versatile entities formed to conceive a broad range of scaffold biomaterials. They possess distinct, repetitive, hydrophobic sequences that confer conservation, reversibility, temperature-dependent self-association and dissociation properties. The repeating sequence of plastic-based peptides, poly(AVGVP) have been synthesized by the solution phase method and characterized by {sup 13}C and {sup 1}H-NMR spectroscopy. The intermolecular interactions between poly(AVGVP) and polyvinyl alcohol (PVA) was explored in solution and solid phase by diverse analytical methods. The interaction parameters, namely; α, β, µ and ∆[η]{sub m} obtained from the dilute solution viscometric approach, unveiled that the two polymers were miscible up to 40% of the polypeptide in the blends. Besides, Fourier transform infrared (FTIR) spectroscopy authenticated the formation of strong intermolecular hydrogen bonds connecting blend networks. Further, other analytical techniques such as DSC, SEM and XRD probes advocated the miscibility results. Thermogravimetric investigation of the blends confirmed the proportionate decrease of the thermal stability with the increase of polypentapeptide, attributable to the intermolecular amalgamation between the polypeptide and PVA. The blends and plain poly(AVGVP) degraded completely at about 700 °C, whereas the virgin PVA was about only 60% at this temperature. Graphic Abstract: .

36 MATERIALS SCIENCE↗
NASA NTRS1985

Application of the finite element method in the calculation of transmission loss of flat and curved panels

This investigation represents an extension of a study of Roussos (1985) who considered the noise transmission loss of a rectangular plate in an infinite baffle. Roussos, who employed an analytical formulation, considered an unstiffened plate. While it is difficult to consider stiffeners by means of analytical methods, the difficulties can be avoided by employing a finite element procedure. For this reason, the present study is concerned with the implementation of a finite element method. The representation of the panel transmission loss is discussed, and the determination of the panel motion by means of the finite element technique is described, taking into account an isotropic flat panel, the exciting force, an eigenvalue problem, the radiation pressure, a plate element, and a cylindrical shell element. Numerical results are considered for a flat panel, a curved panel, and a stiffened flat panel.

Koval, L. R.↗
NASA NTRS2009

Advances in Adaptive Control Methods

This poster presentation describes recent advances in adaptive control technology developed by NASA. Optimal Control Modification is a novel adaptive law that can improve performance and robustness of adaptive control systems. A new technique has been developed to provide an analytical method for computing time delay stability margin for adaptive control systems.

Nguyen, Nhan↗
NASA NTRS1995

Consistent approach to describing aircraft HIRF protection

The high intensity radiated fields (HIRF) certification process as currently implemented is comprised of an inconsistent combination of factors that tend to emphasize worst case scenarios in assessing commercial airplane certification requirements. By examining these factors which include the process definition, the external HIRF environment, the aircraft coupling and corresponding internal fields, and methods of measuring equipment susceptibilities, activities leading to an approach to appraising airplane vulnerability to HIRF are proposed. This approach utilizes technically based criteria to evaluate the nature of the threat, including the probability of encountering the external HIRF environment. No single test or analytic method comprehensively addresses the full HIRF threat frequency spectrum. Additional tools such as statistical methods must be adopted to arrive at more realistic requirements to reflect commercial aircraft vulnerability to the HIRF threat. Test and analytic data are provided to support the conclusions of this report. This work was performed under NASA contract NAS1-19360, Task 52.

Rimbey, P. R.↗
DOE OSTI2014

Effects of large-scale environment on the assembly history of central galaxies

We examine whether large-scale environment affects the mass assembly history of central galaxies. To facilitate this, we constructed dark matter halo merger trees from a cosmological N-body simulation and calculated the formation and evolution of galaxies using a semi-analytic method. We confirm earlier results that smaller halos show a notable difference in formation time with a mild dependence on large-scale environment. However, using a semi-analytic model, we found that on average the growth rate of the stellar mass of central galaxies is largely insensitive to large-scale environment. Although our results show that the star formation rate (SFR) and the stellar mass of central galaxies in smaller halos are slightly affected by the assembly bias of halos, those galaxies are faint and the difference in the SFR is minute, therefore it is challenging to detect it in real galaxies given the current observational accuracy. Future galaxy surveys, such as the BigBOSS experiment and the Large Synoptic Survey Telescope, which are expected to provide observational data for fainter objects, will provide a chance to test our model predictions.

79 ASTRONOMY AND ASTROPHYSICS↗