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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 739 records · Page 41

Extreme Molecular Complexity Resulting in a Continuum of Carbonaceous Species in Biomass Burning Tar Balls from Wildfire Smoke

Biomass burning emits a wide range of carbonaceous particles into the atmosphere and has negative impacts on human health and the Earth’s radiative balance. Nonvolatile spherical organic aerosol particles, commonly known as tar balls, represent one of the most abundant particles in aged biomass burning smoke. However, the detailed molecular-level composition of ambient tar balls is largely unknown but critical to access their environmental impacts. Ambient aerosol samples collected during a wildfire event, which were ~90% tar balls by number fraction, were analyzed using ultrahigh resolution Orbitrap Elite mass spectrometry with four complementary ionization modes. Our results show the molecular composition of tar balls to be complex, composed of over 10,000 molecular formulas. Model estimated saturation mass concentrations and relative humidity dependent glass transition temperatures were consistent with low volatility and solid morphology as expected for tar balls. Room-temperature evaporation kinetics showed that these particles were composed of ~90% non-volatile species. The molecular complexity detected here signifies a continuum of carbonaceous species, ranging from C3 to C45 with continuous ranges of oxygenation and hydrogen saturation for each Cn. Approximately 24% of molecular formulas were estimated the be highly aromatic, which could indicate chemical compounds with negative health effects, and which may contribute to visible light absorption. The carbon continuum observed here has significant implications for the molecular characterization of atmospheric organic matter. The level of complexity detected here should not be ignored in future studies and we demonstrate that multiple analytical methods may be required to suitably interpret this complexity on a molecular level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Agilent AgileBioFoundry CRADA (Final Report)

The mission of this CRADA with Agilent was to couple powerful MS platforms (QQQ, IM-QTOF-MS) with Agilent’s novel Ultra-High-Performance Liquid Chromatography (UHPLC) fast metabolomic workflows and perform ABF Machine Learning (ML) to generated datasets. Agilent transferred UHPLC methods to PNNL and LBNL and methods were implemented and demonstrated in both labs, achieving total acquisition times of < 10 min. Metabolites analyzed using Agilent’s shared methods included metabolites from central carbon metabolism, common across hosts, and metabolites unique to engineered strains. Standards were acquired in an UHPLC-Drift Tube Ion Mobility Mass Spectrometer (DTIMS) system for the first time within the context of ABF and methods were optimized based on Agilent’s protocols. Samples from ABF hosts Pseudomonas putida, Aspergillus pseudoterreus, Aspergillus niger and Rhodosporidium toruloides were analyzed using the UHPLC-DTIMS platform for a total of 276 runs. A data analysis workflow compatible with the Experimental Data Depot (EDD) and completely shareable was developed for the acquired UHPLC-DTIMS data. Samples were analyzed using a Data Independent Acquisition Approach (DIA), which for most of the standards provided more transitions therefore increasing detection confidence. Using the data acquired by PNNL, LBNL, and Agilent’s specifications from previous ML projects, SNL applied an ensemble ML strategy to pick the best performing model for automated LC-method selection. Finally, with the contribution of the participant labs and Agilent, SNL developed an Automated Method Selection (AMS) software tool to predict the best liquid chromatography method for analysis of any new molecules of interest. Samples with novel pathways and new metabolite targets of interest are generated at a high pace in the ABF. Therefore, our accomplishment in this CRADA improved the efficiency and accuracy of strain testing by developing and implementing fast analytical methods, robust processing tools, and software for predicting the best methods for UHPLC analysis.

97 MATHEMATICS AND COMPUTING↗

Spray atomization and combustion

New theoretical and experimental methods for studying sprays are reviewed. Common methods to analyze dilute sprays are described and used to interpret recent measurements of the structure of dilute sprays and related dispersed turbulent jets. Particle-laden jets, nonevaporating, evaporating, and combusting sprays, and noncondensing and condensing bubbly jets are examined and used to initially evaluate current analytical methods for a wide range of conditions. Dense sprays are briefly discussed.

Faeth, G. M.↗

Multiangle Implementation of Atmospheric Correction (MAIAC):: Radiative Transfer Basis and Look-up Tables - 1

This paper describes a radiative transfer basis of the algorithm MAIAC which performs simultaneous retrievals of atmospheric aerosol and bidirectional surface reflectance from the Moderate Resolution Imaging Spectroradiometer (MODIS). The retrievals are based on an accurate semianalytical solution for the top-of-atmosphere reflectance expressed as an explicit function of three parameters of the Ross-Thick Li-Sparse model of surface bidirectional reflectance. This solution depends on certain functions of atmospheric properties and geometry which are precomputed in the look-up table (LUT). This paper further considers correction of the LUT functions for variations of surface pressure/height and of atmospheric water vapor, which is a common task in the operational remote sensing. It introduces a new analytical method for the water vapor correction of the multiple ]scattering path radiance. It also summarizes the few basic principles that provide a high efficiency and accuracy of the LUT ]based radiative transfer for the aerosol/surface retrievals and optimize the size of LUT. For example, the single-scattering path radiance is calculated analytically for a given surface pressure and atmospheric water vapor. The same is true for the direct surface-reflected radiance, which along with the single-scattering path radiance largely defines the angular dependence of measurements. For these calculations, the aerosol phase functions and kernels of the surface bidirectional reflectance model are precalculated at a high angular resolution. The other radiative transfer functions depend rather smoothly on angles because of multiple scattering and can be calculated at coarser angular resolution to reduce the LUT size. At the same time, this resolution should be high enough to use the nearest neighbor geometry angles to avoid costly three ]dimensional interpolation. The pressure correction is implemented via linear interpolation between two LUTs computed for the standard and reduced pressure levels. A linear mixture and a modified linear mixture methods are used to represent different aerosol types in the aerosol/surface retrievals from several base models of the fine and coarse aerosol fractions. In summary, the developed LUT algorithm allows fast high-accuracy simulations of the outgoing radiance with full variability of the atmospheric and surface bidirectional reflectance properties for the aerosol/surface remote sensing.

Lyapustin, Alexei↗

High-Resolution, Non-Invasive Imaging of Upper Vocal Tract Articulators Compatible with Human Brain Recordings

A complete neurobiological understanding of speech motor control requires determination of the relationship between simultaneously recorded neural activity and the kinematics of the lips, jaw, tongue, and larynx. Many speech articulators are internal to the vocal tract, and therefore simultaneously tracking the kinematics of all articulators is nontrivial-especially in the context of human electrophysiology recordings. Here, we describe a noninvasive, multi-modal imaging system to monitor vocal tract kinematics, demonstrate this system in six speakers during production of nine American English vowels, and provide new analysis of such data. Classification and regression analysis revealed considerable variability in the articulator-to-acoustic relationship across speakers. Non-negative matrix factorization extracted basis sets capturing vocal tract shapes allowing for higher vowel classification accuracy than traditional methods. Statistical speech synthesis generated speech from vocal tract measurements, and we demonstrate perceptual identification. We demonstrate the capacity to predict lip kinematics from ventral sensorimotor cortical activity. These results demonstrate a multi-modal system to non-invasively monitor articulator kinematics during speech production, describe novel analytic methods for relating kinematic data to speech acoustics, and provide the first decoding of speech kinematics from electrocorticography. These advances will be critical for understanding the cortical basis of speech production and the creation of vocal prosthetics.

60 APPLIED LIFE SCIENCES↗

Solution of Boltzmann equation for highly nonequilibrium diatomic gases rotational translational energy relaxation

The direct simulation Monte Carlo method is applied to solve the Boltzmann equation for collisions between internally excited diatomic gases in highly nonequilibrium states. The semiclassical transition probability is incorporated in the simulation for energy exchange between rotational and translational energy. The results provide details on the fundamental mechanisms of gas kinetics where analytical methods are impractical. The validity of the local Maxwellian assumption and relaxation time, rotational-translational energy transition, and a velocity analysis of the inelastic collision are discussed in detail.

Yoshikawa, K. K.↗

Transport aircraft flying qualities activities

The optimal control model for pilot vehicle systems was used to develop a methodology for predicting pilot ratings for commercial transports. The method was tested by applying it to a family of transport configurations for which subjective pilot ratings were obtained. Specific attention is given to the development of the simulator program and procedures so as to yield objective and subjective performance data useful for a critical evaluation of the analytical method.

Moul, M. T.↗

Magnetic Field Suppression of Flow in Semiconductor Melt

One of the most promising approaches for the reduction of convection during the crystal growth of conductive melts (semiconductor crystals) is the application of magnetic fields. Current technology allows the experimentation with very intense static fields (up to 80 KGauss) for which nearly convection free results are expected from simple scaling analysis in stabilized systems (vertical Bridgman method with axial magnetic field). However, controversial experimental results were obtained. The computational methods are, therefore, a fundamental tool in the understanding of the phenomena accounting during the solidification of semiconductor materials. Moreover, effects like the bending of the isomagnetic lines, different aspect ratios and misalignments between the direction of the gravity and magnetic field vectors can not be analyzed with analytical methods. The earliest numerical results showed controversial conclusions and are not able to explain the experimental results. Although the generated flows are extremely low, the computational task is a complicated because of the thin boundary layers. That is one of the reasons for the discrepancy in the results that numerical studies reported. Modeling of these magnetically damped crystal growth experiments requires advanced numerical methods. We used, for comparison, three different approaches to obtain the solution of the problem of thermal convection flows: (1) Spectral method in spectral superelement implementation, (2) Finite element method with regularization for boundary layers, (3) Multiquadric method, a novel method with global radial basis functions, that is proven to have exponential convergence. The results obtained by these three methods are presented for a wide region of Rayleigh and Hartman numbers. Comparison and discussion of accuracy, efficiency, reliability and agreement with experimental results will be presented as well.

Fedoseyev, A. I.↗

Numerical Simulation of One- And Two-Phase Flows In Propulsion Systems

In this report, we present some results of problems investigated during joint research between the Hampton University (HU) Fluid Mechanics and Acoustics Laboratory (FM&AL), NASA Glenn Research Center (GRC) and the Hyper-X Program of the NASA Langley Research Center (LaRC). This work is supported by joint research between the NASA GRC/HU FM&AL and the Institute of Mechanics at Moscow State University (IM/MSU) in Russia under a Civilian Research and Development Foundation (CRDF) grant, #RE1-2068. The main areas of current scientific interest of the FM&AL include an investigation of the proposed and patented advanced methods for aircraft engine thrust and noise benefits. These methods are based on nontraditional 3D (three dimensional) corrugated and composite nozzle, inlet, propeller and screw designs such as the Bluebell and Telescope nozzles, Mobius-shaped screws, etc. These are the main subject of our other projects, of which one is the NASA MURED's (Minority University Research and Education Division) FAR (Faculty Awards for Research) Award, #NAG-3-2249. Working jointly with this project team, our team also analyzes additional methods for exhaust jet noise reduction. These methods are without essential thrust loss and even with thrust augmentation. The research is focused on a wide regime of problems in the propulsion field as well as in experimental testing and theoretical and numerical simulation analyses for advanced aircraft and rocket engines. The FM&AL Team uses analytical methods, numerical simulations and experimental tests at the Hampton University campus, NASA and IM/MSU. The main results obtained by FM&AL team were published in the papers and patents.

Gilinsky, Mikhail M.↗

Real-Time Automated Hazard Detection Framework for Health Information Technology Systems

An increase in the reliability of Health Information Technology (HIT) will facilitate institutional trust and credibility of the systems. Here, we present an end-to-end framework for improving the reliability and performance of HIT systems. Specifically, we describe the system model, present some of the methods that drive the model, and discuss an initial implementation of two of the proposed methods using data from the Veterans Affairs HIT and Corporate Data Warehouse systems. The contributions of this work, thus, include (1) the design of a system model for monitoring and detecting hazards in HIT systems, (2) a data-driven approach for analysing the health care data warehouse, (3) analytical methods for characterising and analysing failures in HIT systems, and (4) a tool architecture for generating and reporting hazards in HIT systems. Our goal is to work towards an automated system that will help identify opportunities for improvements in HIT systems.

97 MATHEMATICS AND COMPUTING↗

Uniform magnetic fields generated by circular current-carrying coils

The study described was carried out to evaluate known systems of circular coils with a view toward their application on board the space probes Ranger 1, Ranger 2, and Explorer 10. Particular attention is given to a new method, developed during the investigation, for determining the constants of systems composed of 6 to 8 coils. Such systems were found to generate magnetic fields of very high uniformity. By using advanced computational techniques, it proved possible to evaluate the field uniformity of various systems without recourse to complex analytical methods. Means of evaluating the influence of coil dimensions on the uniformity of the field of any system are described.

Williams, V. L.↗

Static and dynamic characteristics of parallel-grooved seals

Presented is an analytical method to determine static and dynamic characteristics of annular parallel-grooved seals. The governing equations were derived by using the turbulent lubrication theory based on the law of fluid friction. Linear zero- and first-order perturbation equations of the governing equations were developed, and these equations were analytically investigated to obtain the reaction force of the seals. An analysis is presented that calculates the leakage flow rate, the torque loss, and the rotordynamic coefficients for parallel-grooved seals. To demonstrate this analysis, we show the effect of changing number of stages, land and groove width, and inlet swirl on stability of the boiler feed water pump seals. Generally, as the number of stages increased or the grooves became wider, the leakage flow rate and rotor-dynamic coefficients decreased and the torque loss increased.

Iwatsubo, Takuzo↗

Review and assessment of the HOST turbine heat transfer program

The objectives of the HOST Turbine Heat Transfer subproject were to obtain a better understanding of the physics of the aerothermodynamic phenomena occurring in high-performance gas turbine engines and to assess and improve the analytical methods used to predict the fluid dynamics and heat transfer phenomena. At the time the HOST project was initiated, an across-the-board improvement in turbine design technology was needed. Therefore, a building-block approach was utilized, with research ranging from the study of fundamental phenomena and analytical modeling to experiments in simulated real-engine environments. Experimental research accounted for 75 percent of the project, and analytical efforts accounted for approximately 25 percent. Extensive experimental datasets were created depicting the three-dimensional flow field, high free-stream turbulence, boundary-layer transition, blade tip region heat transfer, film cooling effects in a simulated engine environment, rough-wall cooling enhancement in a rotating passage, and rotor-stator interaction effects. In addition, analytical modeling of these phenomena was initiated using boundary-layer assumptions as well as Navier-Stokes solutions.

Gladden, Herbert J.↗

Shock Losses in Transonic Compressor Blade Rows

The rather extensive study of the shock losses in transonic compressors can he summarized by the following remarks: 1. A simple flow model can be used to estimate shock losses at the design point for transonic compressor blade rows and results iii reasonable correlation of loss data. It is indicated that shock losses can constitute a sizable portion of the total losses in it transonic compressor rotor. This includes all blade elements at which sonic or higher relative velocities are obtained. 2. Shock losses can he shown to exist across the blade passage (free-stream loss) and by the method of superposition with the blade profile losses result in an estimated design total loss coefficient. 3. The shock configuration was experimentally determined by the rapid pressure rise between the blades as measured by the use of barium titanate crystals. At the minimum loss operating conditions the shock is very similar to that assumed in the simple How model. 4. Shock losses obtained from a more detailed flow model were compared with the losses obtained by the simple flow model. Measured loss distribution from blade to blade closely approaches the analytical shock loss distribution. The measured distribution shows the effect of a shock boundary layer interaction. 5. The analytical method (from the detailed flow model) of determining the shock location ahead of the blade seems to apply reasonably well over a range of incidence angles. The analytical shock losses do not vary a great deal with blade element incidence angles.

Miller, Genevieve R.↗

Comparison of vapour pressure osmometry, freezing point osmometry and direct membrane osmometry for determining the osmotic pressure of concentrated solutions

Osmometry is the analytical method of measuring osmotic pressure ($π$) and related colligative properties. Accurately measuring $π$ is essential for applications that use osmosis, including drug delivery systems and water filtration methods such as forward osmosis. The three most common forms of directly or indirectly measuring $π$ are vapour pressure osmometry (VPO), freezing point osmometry (FPO), and direct membrane osmometry (DMO). In this report, the performance of VPO, FPO, and DMO are compared for various aqueous solutions, including small molecule and polymer solutes, and potentially more difficult samples such as concentrated, carbonated, or viscous solutions. Furthermore, potential problems with each of the three methods are examined. Good practices can avoid inaccuracies in DMO due to external concentration polarization and solute diffusion through the membrane. Similarly, it is important to be aware of and avoid weaknesses in VPO and FPO in order to obtain reliable results. Even with care, however, the three methods still give different values of $π$ for concentrated aqueous solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A thought experiment to evaluate a proposed data analysis method

A statistical analysis was recently presented at a DOE review in reference to a particular problem. Here we attempt to capture the essence of this problem with a simple “toy” analog and demonstrate the incorrectness of the presented J figure of merit algorithm. We show that the incorrect usage of J gives PDFs that have erroneous long tails and significantly overestimate the rms deviations relative to those obtained by exact analytic methods. Conversely, a numerical Bayesian analysis gives the correct result.

97 MATHEMATICS AND COMPUTING↗

Raman spectroscopy coupled with ambient ionization mass spectrometry: A forensic laboratory investigation into rapid and simple dual instrumental analysis techniques

We present a laboratory experiment, developed around a pair of instrumental analysis techniques, Raman spectroscopy and ambient ionization mass spectrometry (MS), conducted by senior chemistry undergraduate students for bulk analysis of over-the-counter drugs using benchtop versions of the two instruments, as well as trace analysis of illicit drugs utilizing the corresponding portable instruments. The identification and confirmation of seized drugs is a routine operation in forensic laboratories that can be simplified using these two instrumental techniques in tandem. Bulk samples are readily analyzed using conventional Raman spectroscopy followed by paper cone spray ionization (PCSI) MS, while trace analysis is allowed by a simple single-substrate dual-analyzer method using surface enhanced Raman spectroscopy (SERS) from paper followed by paper spray ionization (PSI) MS. The introduction of these novel strategies to the students exposed them to potential career paths in forensic science by means of a hands-on experience that provided fundamental knowledge about this set of analytical methods, including intercomparisons of their performance, as well as practical issues like costs, regulations and databases. The use of portable instrumentation represents an additional learning experience for the students, considering that it is cutting-edge technology that is just now being transferred from academic to industrial labs and that it allows a valuable discussion of the advantages and disadvantages of bringing the laboratory to the field.

47 OTHER INSTRUMENTATION↗

Design, fabrication and test of graphite/epoxy metering truss structure components, phase 3

The design, materials, tooling, manufacturing processes, quality control, test procedures, and results associated with the fabrication and test of graphite/epoxy metering truss structure components exhibiting a near zero coefficient of thermal expansion are described. Analytical methods were utilized, with the aid of a computer program, to define the most efficient laminate configurations in terms of thermal behavior and structural requirements. This was followed by an extensive material characterization and selection program, conducted for several graphite/graphite/hybrid laminate systems to obtain experimental data in support of the analytical predictions. Mechanical property tests as well as the coefficient of thermal expansion tests were run on each laminate under study, the results of which were used as the selection criteria for the single most promising laminate. Further coefficient of thermal expansion measurement was successfully performed on three subcomponent tubes utilizing the selected laminate.

Source record↗