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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

Anomaly Detection in Large Sets of High-Dimensional Symbol Sequences

This paper addresses the problem of detecting and describing anomalies in large sets of high-dimensional symbol sequences. The approach taken uses unsupervised clustering of sequences using the normalized longest common subsequence (LCS) as a similarity measure, followed by detailed analysis of outliers to detect anomalies. As the LCS measure is expensive to compute, the first part of the paper discusses existing algorithms, such as the Hunt-Szymanski algorithm, that have low time-complexity. We then discuss why these algorithms often do not work well in practice and present a new hybrid algorithm for computing the LCS that, in our tests, outperforms the Hunt-Szymanski algorithm by a factor of five. The second part of the paper presents new algorithms for outlier analysis that provide comprehensible indicators as to why a particular sequence was deemed to be an outlier. The algorithms provide a coherent description to an analyst of the anomalies in the sequence, compared to more normal sequences. The algorithms we present are general and domain-independent, so we discuss applications in related areas such as anomaly detection.

Budalakoti, Suratna↗
DOE OSTI2021

A Study on Computational Cost Reduction of Simulations of Phase-Change Material (PCM) Embedded Heat Exchangers

Thermal storage can be implemented using Phase-Change Materials (PCM), which absorb significant latent heat with a relatively small temperature change. PCM phase-change processes are transient and are driven by thermal diffusion and natural convection – the latter, especially for melting process. Modeling and simulation of PCM heat exchangers (HX’s) is typically computationally intensive due to the relatively complex time-dependent physics. Most of the PCM modeling work in the literature uses high-order modeling tools such as Computational Fluid Dynamics (CFD) and Lattice-Boltzmann Method (LBM). For design purposes, the existing PCM modeling approaches are not practical, limiting researchers in their ability to investigate new ideas and different PCM’s with faster turnarounds. This paper presents a study investigating the reduction of computational cost of PCM embedded HX’s CFD models by evaluating the feasibility of spatial reduction without losing accuracy. The analysis consists of comparing full and partial domain under full melting conditions. The subject of this study is a single straight tube with circular transverse fins in the vertical orientation, using PCM’s with 35oC nominal melting temperature. Different tube and fin dimensions are investigated. Results indicate that the reduced domain reproduces - in half the run time - the same behavior as the full domain since the buoyancy effects are localized and patterned. The outputs from the partial domain simulation were used to build a non-general correlation for the PCM heat transfer characteristics and demonstrated how it can be implemented in a Finite Control Volume Reduced Order Model (ROM). The ROM can accurately reproduce the CFD simulations at 4 to 5 orders of magnitude faster.

25 ENERGY STORAGE↗
NASA NTRS1968

Analytical and experimental studies of the steady state combustion mechanism of solid propellants

Our present state of understanding of the steady-state combustion mechanisms of solid propellants is reviewed. Attention is focused principally on heterogeneous propellants. Both experimental and theoretical work is discussed. The recent advances considered include studies of linear pyrolysis of propellant constituents, deflagration of exothermic oxidizers, combustion of oxidizer spheres in gaseous fuels, porous-bed combustion, reactions between gaseous fuel and gaseous oxidizer components, metal combustion, propellant strand burning, rocket motor combustion and microcinematographic experimentation. A theoretical analysis of a model of homogeneous propellant combustion is outlined in detail, with special emphasis placed on surface gasification laws and on flammability limits in nonadiabatic systems. Low pressure, moderate pressure, plateau and high pressure domains of combustion are identified for ammonium perchlorate composite propellants. It is concluded that a better foundation for investigating composite propellant combustion properties is available for ammonium perchlorate than for any other oxidizer. Avenues for potentially fruitful future research are recommended.

M Barrère↗
DOE OSTI2016

Design of plate directional heat transmission structure based on layered thermal metamaterials

Invisibility cloaks based on transformation optics are often closed structures; however, such a structure limits the kinds of objects that can be placed in the cloak. In this work, we adopt a transformation thermodynamics approach to design an “open cloak”, called a plate directional heat transmission structure, which is capable of guiding heat fluxes to the flank region of the metamaterial device. The most fascinating and unique feature of the device is that the lower surface can remain at a lower temperature compared with the SiO{sub 2} aerogel thermal insulation material. Our results are expected to markedly enhance capabilities in thermal protection, thermal-energy utilization, and domains beyond. In addition to the theoretical analysis, the present design is demonstrated in numerical simulations based on finite element calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Investigation of Anchor Link Magnetohydrodynamic Effects in the Toroidally Symmetric Lead-Lithium (TSLL) Blanket Concept

This paper presents a comprehensive study on the magnetohydrodynamic (MHD) flow in a slotted channel with a cylindrical anchor link, which is an imperative component of the toroidally symmetric lead-lithium (TSLL) blanket concept. Following the validation of the MHD solver implemented in COMSOL and a proposed subtraction approach to compute the anchor link pressure drop, the effects of computational domain size on the pressure drop and velocity distribution are examined. The results show that the pressure drop associated with the anchor link and the maximum flow velocity follow an asymptotic trend as the domain width increases, with wall-induced pressure drop being more dominant than that of the anchor link. The velocity distribution analysis revealed the formation of an internal boundary layer extending along the magnetic field direction, which is a unique feature of the investigated MHD flow. An estimation of the total MHD pressure drop associated with the array of anchor links under the TSLL blanket conditions suggests ~0.3 MPa, which is significantly lower than the recommended maximum allowable blanket pressure drop of 2 MPa. In conclusion, this work offers valuable insights into the anchor link–associated MHD phenomena and serves as a foundation for further development of the TSLL blanket concept for future fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Understanding nanoscale structural distortions in Pb(Zr 0.2 Ti 0.8 )O 3 by utilizing X-ray nanodiffraction and clustering algorithm analysis

Hard X-ray nanodiffraction provides a unique nondestructive technique to quantify local strain and structural inhomogeneities at nanometer length scales. However, sample mosaicity and phase separation can result in a complex diffraction pattern that can make it challenging to quantify nanoscale structural distortions. In this work, a k-means clustering algorithm was utilized to identify local maxima of intensity by partitioning diffraction data in a three-dimensional feature space of detector coordinates and intensity. This technique has been applied to X-ray nanodiffraction measurements of a patterned ferroelectric PbZr 0.2 Ti 0.8 O 3 sample. The analysis reveals the presence of two phases in the sample with different lattice parameters. A highly heterogeneous distribution of lattice parameters with a variation of 0.02 Å was also observed within one ferroelectric domain. This approach provides a nanoscale survey of subtle structural distortions as well as phase separation in ferroelectric domains in a patterned sample.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Structure of Pseudomonas aeruginosa spermidine dehydrogenase: a polyamine oxidase with a novel heme‐binding fold

The opportunistic pathogen Pseudomonas aeruginosa can utilize polyamines (including putrescine, cadaverine, 4‐aminobutyrate, spermidine, and spermine) as its sole source of carbon and nitrogen. Spermidine dehydrogenase (SpdH) is a component of one of the two polyamine utilization pathways identified in P . aeruginosa , but little is known about its structure and function. Here, we report the first crystal structure of SpdH from P . aeruginosa to 1.85 Å resolution. The resulting core structure confirms that SpdH belongs to the polyamine oxidase (PAO) family with flavin‐binding and substrate‐binding domains. A unique N‐terminal extension wraps around the flavin‐binding domain of SpdH and is required for heme binding, placing a heme cofactor in close proximity to the FAD cofactor. Structural and mutational analysis reveals that residues in the putative active site at the re side of the FAD isoalloxazine ring form part of the catalytic machinery. PaSpdH features an unusual active site and lacks the conserved lysine that forms part of a lysine–water–flavin N5 atom interaction in other PAO enzymes characterized to date. Mutational analysis further confirms that heme is required for catalytic activity. This work provides an important starting point for understanding the role of SpdH, which occurs universally in P . aeruginosa strains, in polyamine metabolism.

Che, Shiyou↗
NASA NTRS1990

Determining structural performance

An overview of the methods and concepts developed to enhance and predict structural dynamic characteristics of advanced aeropropulsion systems is presented. Aeroelasticity, vibration control, dynamic systems, and computational structural methods are four disciplines that make up the structural dynamic effort at LeRC. The aeroelasticity program develops analytical and experimental methods for minimizing flutter and forced vibration of aerospace propulsion systems. Both frequency domain and time domain methods were developed for applications on the turbofan, turbopump, and advanced turboprop. In order to improve life and performance, the vibration control program conceives, analyzes, develops, and demonstrates new methods for controlling vibrations in aerospace systems. Active and passive vibration control is accomplished with electromagnetic dampers, magnetic bearings, and piezoelectric crystals to control rotor vibrations. The dynamic systems program analyzes and verifies the dynamics of interacting systems, as well as develops concepts and methods for high-temperature dynamic seals. Work in this field involves the analysis and parametric identification of large, nonlinear, damped, stochastic systems. The computational structural methods program exploits modern computer science as an aid to the solutions of structural problems.

Ernst, Michael A.↗
DOE OSTI2018

Neurocognitive and physical functioning in the Seveso Women's Health Study

Highlights: • Little research exists on the neurotoxic effects of dioxins in older women. • TCDD was associated with grip strength but not other measures of physical function. • TCDD exposure was not adversely associated with working memory. • This relationship was not modified by menopause nor timing of TCDD exposure around menarche. • TCDD susceptibility may increase as the women age, warranting further research. 2,3,7,8-Tetrachlorodibenzo-p-dioxin (TCDD) is neurotoxic in animals but few studies have investigated its effects on the human brain. Related dioxin-like compounds have been linked to poorer cognitive and motor function in older adults, with effects more pronounced in women, perhaps due to the loss of neuro-protective estrogen in menopause. On 10 July 1976, a chemical explosion in Seveso, Italy, resulted in one of the highest known residential exposures to TCDD. In 1996, we initiated the Seveso Women's Health Study, a retrospective cohort study of the health of the women who were newborn to 40 years old in 1976. Here, we investigate whether TCDD exposure is associated with physical functioning and working memory more than 20 years later. Individual TCDD concentration (ppt) was measured in archived serum collected soon after the explosion. In 1996 and 2008, we measured physical functioning (n=154) and working memory (n=459), respectively. We examined associations between serum TCDD and motor and cognitive outcomes with multivariate linear regression and semi-parametric estimators. A 10-fold increase in serum TCDD was not associated with walking speed (adjusted β=0.0006 ft/s, 95% Confidence Interval (CI): −0.13, 0.13), upper body mobility (adjusted β=−0.06, 95% CI: −0.36, 0.23), or manual dexterity (adjusted β=0.34, 95% CI: −0.65, 1.33). We observed an inverted U-shaped association in grip strength, with poorer strength in the lowest and highest TCDD exposure levels. There was no association between TCDD and the Wechsler digit and spatial span tests. Neither menopause status at assessment nor developmental timing of exposure modified associations between TCDD and working memory. Our findings, in one of the only studies of TCDD's effects on neuropsychological and physical functioning in women, do not indicate an adverse effect on these domains, with the exception of a U-shaped relationship with grip strength. Given the limited assessment and relative youth of the women at this follow-up, future work examining additional neuropsychological outcomes is warranted.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Structural and magnetic properties of praseodymium substituted barium-based spinel ferrites

Highlights: • Barium based spinel ferrites were successfully synthesized by Sol-gel method. • The spinel phase has been observed in all samples. • Ac susceptibility of all the samples is presented. • The Ms Decreases with increasing Pr contents while Hc increases. - Abstract: In this research work BaPr{sub x}Fe{sub 2-x}O{sub 4} (x = 0.0, 0.025, 0.05, 0.075, 0.10) spinel ferrites have been synthesized successfully by sol-gel technique. X-ray diffraction analysis confirmed the fcc spinel phase of the synthesized samples. All the samples showed inhomogeneous grain size distribution observed through scanning electron microscopy (SEM).Temperature dependence normalized AC susceptibility and Curie temperature studies revealed that BaFe{sub 2}O{sub 4} exhibited multidomain (MD) structure with high Curie temperature. On the other hand, multidomain to single domain (SD) transitions occurred when the praseodymium is substituted into barium spinel ferrites. Narrow loops showed the soft nature of ferrites and it was confirmed from magnetic properties of the prepared samples. Decreasing trend of saturation magnetization and remanence was observed with the substitution of praseodymium contents. Coercivity and anisotropy constant both enhanced with the praseodymium concentration. The above-mentioned parameters revealed that the synthesized spinel ferrites might be useful for the of high-density magnetic recording applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Dynamics of Water in Gemini Surfactant-Based Lyotropic Liquid Crystals

The dynamics of water confined to nanometer-sized domains is important in a variety of applications ranging from proton exchange membranes to crowding effects in biophysics. In this work we study the dynamics of water in gemini surfactant-based lyotropic liquid crystals (LLCs) using molecular dynamics simulations. These systems have well characterized morphologies, e.g., hexagonal, gyroid, and lamellar, and the surfaces of the confining regions can be controlled by modifying the headgroup of the surfactants. This allows one to study the effect of topology, functionalization, and interfacial curvature on the dynamics of confined water. Through analysis of the translational diffusion and rotational relaxation we conclude that the hydration level and resulting confinement lengthscale is the predominate determiner of the rates of water dynamics, and other effects, namely surface functionality and curvature, are largely secondary. In conclusion, this novel analysis of the water dynamics in these LLC systems provides an important comparison for previous studies of water dynamics in lipid bilayers and reverse micelles.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Structural determinants for pH-dependent activation of a plant metacaspase

Arabidopsis thaliana metacaspase 9 (AtMC9) plays roles in clearing dead cells, forming xylem vessels, and regulating immunity and programmed cell death in plants. The protease's activation is controlled by pH levels, but the exact structural mechanism behind this has not been elucidated. In this work, high-resolution crystal structures for AtMC9 at active (pH 5.5 and pH 4.2) and inactive (pH 7.5) conditions are reported. The three structures are similar except for local conformations where their hydrogen bonding interactions with solvents are mediated through the protonation of specific titratable amino acid residues' side chains. By combining structural analysis, molecular dynamics simulations under constant pHs, and biochemical assays coupled with site-directed mutagenesis, we show that the regulation of AtMC9 activation involves multiple titratable glutamate and histidine residues across the three domains of p20, linker, and p10. Specifically, deprotonated Glu112, His193, and His208 can suppress AtMC9 proteolytic activity, while protonation of Glu255 and His307 at acidic pH may promote it. This study provides valuable insights into the pH-dependent activation of AtMC9 and could potentially lead to improving crops with enhanced immunity and controlled cell death, ultimately increasing agricultural productivity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Dispersion, spatial growth rate, and start current of a Cherenkov free-electron laser with negative-index material

We present an analysis of a Cherenkov free-electron laser based on a single slab made from negative-index materials. In this system, a flat electron beam with finite thickness travelling close to the surface of the slab interacts with the copropagating electromagnetic surface mode. The dispersion equation for a finitely thick slab is worked out and solved numerically to study the dispersion relation of surface modes supported by negative-index materials, and the calculations are in good agreement with the simulation results from a finite difference time domain code. We find that under suitable conditions there is inherent feedback in such a scheme due to the characteristics of negative-index materials, which means that the system can oscillate without external reflectors when the beam current exceeds a threshold value, i.e., start current. Using the hydrodynamic approach, we setup coupled equations for this system, and solve these equations analytically in the small signal regime to obtain formulas for the spatial growth rate and start current.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Few-layer tin sulfide (SnS): Controlled synthesis, thickness dependent vibrational properties, and ferroelectricity

Group IV monochalcogenides, anisotropic van der Waals crystals (and black phosphorus analogues), are attracting increasing interest due to a number of exceptional properties including anisotropic optoelectronics and multiferroicity predicted and in part realized in the ultrathin limit. Due to their enhanced chemical reactivity, both exfoliation and synthesis of monolayer and few-layer crystals pose challenges not found in other 2D/layered materials, such as the transition metal dichalcogenides. In this work, we show that SnS synthesis on SnS 2 van der Waals substrates can address these challenges and consistently produces few-layer flakes, a capability that is explained via analysis of real-time microscopy of the growth process. Raman spectroscopy combined with efficient computations of the Raman-active modes across an extended thickness range enables a comprehensive understanding of the evolution of the vibrational properties of SnS with number of layers. Lateral piezoresponse force microscopy provides unprecedented insight into the stacking-dependent polarization and ferroelectric domain structures in large few-layer SnS flakes. The combined results establish a basis for further fundamental studies and applications of SnS and other group IV monochalcogenides in the few-layer regime.

36 MATERIALS SCIENCE↗
NASA NTRS1995

New approaches to optimization in aerospace conceptual design

Aerospace design can be viewed as an optimization process, but conceptual studies are rarely performed using formal search algorithms. Three issues that restrict the success of automatic search are identified in this work. New approaches are introduced to address the integration of analyses and optimizers, to avoid the need for accurate gradient information and a smooth search space (required for calculus-based optimization), and to remove the restrictions imposed by fixed complexity problem formulations. (1) Optimization should be performed in a flexible environment. A quasi-procedural architecture is used to conveniently link analysis modules and automatically coordinate their execution. It efficiently controls a large-scale design tasks. (2) Genetic algorithms provide a search method for discontinuous or noisy domains. The utility of genetic optimization is demonstrated here, but parameter encodings and constraint-handling schemes must be carefully chosen to avoid premature convergence to suboptimal designs. The relationship between genetic and calculus-based methods is explored. (3) A variable-complexity genetic algorithm is created to permit flexible parameterization, so that the level of description can change during optimization. This new optimizer automatically discovers novel designs in structural and aerodynamic tasks.

Gage, Peter J.↗
DOE OSTI2020

Deep Learning Prediction of Interspecies Interactions from Self-organized Spatiotemporal Patterns of Co-evolving Organisms

Microorganisms colonizing natural habits such as soils co-evolve to form specific spatial patterns through interspecies interactions. These self-organized patterns are a key ecological phenotype, which provides critical information on their interaction mechanisms. However, conventional network inference techniques that analyze species population data in bulk have yet to be extended to account for such spatial heterogeneity. Here we proposed supervised deep learning as a new network inference tool for predicting interspecies interactions from spatiotemporal patterns of microbial evolution. Due to lack of biological imaging data that can be used for training deep learning networks, we used in silico data generated from high-fidelity agent-based models to determine model structure and parameters. Even though networks were trained under simple configurations where interaction coefficients are assumed to be spatially invariant, we demonstrated that the resulting model can be utilized to successfully predict spatial variation of interactions in more complex domains (i.e., configured with a context-dependent mixture of interaction coefficients) as well as in simple domains without further training. In the further test against real biological data obtained through imaging experiments of a binary consortium (Pseudomonas fluorescens and a mutant of Escherichia coli), our model also predicted the dramatic shifts in interactions of the two organisms across different environmental contexts. Through various successful demonstrations in this work, the combined use of the agent-based model and machine learning algorithm provides a means to use new type of data - microscopic images - for extracting microbial interactions, therefore presenting itself as a useful tool for the analysis of more complex microbial community interactions.

Lee, Joon-Yong↗
DOE OSTI2015

Application of the Hartmann–Tran profile to precise experimental data sets of 12 C 2 H 2

Self- and nitrogen-broadened line shape data for the P e (11) line of the ν₁ + ν₃ band of acetylene, recorded using a frequency comb-stabilized laser spectrometer, have been analyzed using the Hartmann–Tran profile (HTP) line shape model in a multispectrum fitting. In total, the data included measurements recorded at temperatures between 125 K and 296 K and at pressures between 4 and 760 Torr. New, sub-Doppler, frequency comb-referenced measurements of the positions of multiple underlying hot band lines have also been made. These underlying lines significantly affect the P e (11) line profile at temperatures above 240 K and poorly known frequencies previously introduced errors into the line shape analyses. Thus, the behavior of the HTP model was compared to the quadratic speed dependent Voigt profile (QSDVP) expressed in the frequency and time domains. A parameter uncertainty analysis was carried out using a Monte Carlo method based on the estimated pressure, transmittance and frequency measurement errors. From the analyses, the P e (11) line strength was estimated to be 1.2014(50) × 10 -20 in cm.molecules⁻¹ units at 296 K with the standard deviation in parenthesis. For analyzing these data, we found that a reduced form of the HTP, equivalent to the QSDVP, was most appropriate because the additional parameters included in the full HTP were not well determined. As a supplement to this work, expressions for analytic derivatives and a lineshape fitting code written in Matlab for the HTP are available.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗