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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Confirmation and characterization of the protoplanet HD 100546 b—Direct evidence for gas giant planet formation at 50 AU

We present the first multi-wavelength, high-contrast imaging study confirming the protoplanet embedded in the disk around the Herbig Ae/Be star HD 100546. The object is detected at L′ (∼3.8 μm) and M′ (∼4.8 μm), but not at K{sub s} (∼2.1 μm), and the emission consists of a point source component surrounded by spatially resolved emission. For the point source component we derive apparent magnitudes of L′=13.92±0.10 mag, M′=13.33±0.16 mag, and K{sub s}>15.43±0.06 mag (3σ limit), and a separation and position angle of (0.457±0.014){sup ′′} and (8.4±1.4){sup ∘}, and (0.472±0.014){sup ′′} and (9.2±1.4){sup ∘} in L′ and M′, respectively. We demonstrate that the object is co-moving with HD 100546 and can reject any (sub-)stellar fore-/background object. Fitting a single-temperature blackbody to the observed fluxes of the point source component yields an effective temperature of T{sub eff}=932{sub −202}{sup +193} K and a radius for the emitting area of R=6.9{sub −2.9}{sup +2.7} R{sub Jupiter}. The best-fit luminosity is L=(2.3{sub −0.4}{sup +0.6})⋅10{sup −4} L{sub ⊙}. We quantitatively compare our findings with predictions from evolutionary and atmospheric models for young, gas giant planets, discuss the possible existence of a warm, circumplanetary disk, and note that the deprojected physical separation from the host star of (53±2) AU poses a challenge to standard planet formation theories. Considering the suspected existence of an additional planet orbiting at ∼13–14 AU, HD 100546 appears to be an unprecedented laboratory to study the formation of multiple gas giant planets empirically.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Flexocoupling impact on the generalized susceptibility and soft phonon modes in the ordered phase of ferroics

The impact of the flexoelectric effect on the generalized susceptibility and soft phonon dispersion is not well known in the long-range-ordered phases of ferroics. Within the Landau-Ginzburg-Devonshire approach we obtained analytical expressions for the generalized susceptibility and phonon dispersion relations in the ferroelectric phase. The joint action of the static and dynamic flexoelectric effects induces nondiagonal components of the generalized susceptibility, whose amplitude is proportional to the convolution of the spontaneous polarization with the flexocoupling constants. The flexocoupling essentially broadens the k spectrum of the generalized susceptibility and leads to an additional “pushing away” of the optical and acoustic soft mode phonon branches. The degeneracy of the transverse optical and acoustic modes disappears in the ferroelectric phase in comparison with the paraelectric phase due to the joint action of flexoelectric coupling and ferroelectric nonlinearity. Lastly, the results obtained might be mainly important for theoretical analyses of a broad spectrum of experimental data, including neutron and Brillouin scattering.

36 MATERIALS SCIENCE↗
DOE OSTI2017

UUAT1 Is a Golgi-Localized UDP-Uronic Acid Transporter That Modulates the Polysaccharide Composition of Arabidopsis Seed Mucilage

UDP-glucuronic acid (UDP-GlcA) is the precursor of many plant cell wall polysaccharides and is required for production of seed mucilage. Following synthesis in the cytosol, it is transported into the lumen of the Golgi apparatus, where it is converted to UDP-galacturonic acid (UDP-GalA), UDP-arabinose, and UDP-xylose. To identify the Golgi-localized UDP-GlcA transporter, we screened Arabidopsis thaliana mutants in genes coding for putative nucleotide sugar transporters for altered seed mucilage, a structure rich in the GalA-containing polysaccharide rhamnogalacturonan I. As a result, we identified UUAT1, which encodes a Golgi-localized protein that transports UDP-GlcA and UDP-GalA in vitro. The seed coat of uuat1 mutants had less GalA, rhamnose, and xylose in the soluble mucilage, and the distal cell walls had decreased arabinan content. Cell walls of other organs and cells had lower arabinose levels in roots and pollen tubes, but no differences were observed in GalA or xylose contents. Furthermore, the GlcA content of glucuronoxylan in the stem was not affected in the mutant. Interestingly, the degree of homogalacturonan methylation increased in uuat1. These results suggest that this UDP-GlcA transporter plays a key role defining the seed mucilage sugar composition and that its absence produces pleiotropic effects in this component of the plant extracellular matrix.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

A Variable, Ultra-Short Pathlength Solution Cell for XAFS Transmission Spectroscopy of the Light Elements

We describe an x-ray absorption spectroscopy (XAS) cell that is suitable for solution-phase studies of the light elements in the series from Na+ and Ca2+. This ultra-short pathlength cell has a pathlength that can be remotely adjusted using a miniature stepper-motor drive and thereby readily provides transmission pathlengths in the range from submicron to several hundred microns. The flexibility to vary the pathlength enables acquisition of high-quality XAS spectra and also allows one to check for potential distortions in the spectra from thickness effects. The primary components are mostly commercially available optical parts. The performance of this device is demonstrated at the Cl K-edge (2.8 keV) for several different aqueous Cl- solutions. This work was supported by the US Department of Energy's (DOE) Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. PNNL is operated for the Department of Energy by Battelle.

low-Z cell↗
DOE OSTI2015

Defined PEG smears as an alternative approach to enhance the search for crystallization conditions and crystal-quality improvement in reduced screens

An alternative strategy for PEG sampling is suggested through the use of four newly defined PEG smears to enhance chemical space in reduced screens with a benefit towards protein crystallization. The quest for an optimal limited set of effective crystallization conditions remains a challenge in macromolecular crystallography, an issue that is complicated by the large number of chemicals which have been deemed to be suitable for promoting crystal growth. The lack of rational approaches towards the selection of successful chemical space and representative combinations has led to significant overlapping conditions, which are currently present in a multitude of commercially available crystallization screens. Here, an alternative approach to the sampling of widely used PEG precipitants is suggested through the use of PEG smears, which are mixtures of different PEGs with a requirement of either neutral or cooperatively positive effects of each component on crystal growth. Four newly defined smears were classified by molecular-weight groups and enabled the preservation of specific properties related to different polymer sizes. These smears not only allowed a wide coverage of properties of these polymers, but also reduced PEG variables, enabling greater sampling of other parameters such as buffers and additives. The efficiency of the smear-based screens was evaluated on more than 220 diverse recombinant human proteins, which overall revealed a good initial crystallization success rate of nearly 50%. In addition, in several cases successful crystallizations were only obtained using PEG smears, while various commercial screens failed to yield crystals. The defined smears therefore offer an alternative approach towards PEG sampling, which will benefit the design of crystallization screens sampling a wide chemical space of this key precipitant.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Power Profile Monitoring and Tracking Evolution of System-Wide HPC Workloads

The power & energy demands of HPC machines have grown significantly. Modern exascale HPC systems require tens of megawatts of combined power for computing resources and cooling facilities at full capacity. The current energy trend is not sustainable for future HPC systems, and there is a need to work toward the energy efficiency aspect of HPC performance. Energy awareness of the HPC applications at the job level is essential for running an efficient HPC system. This work aims to develop a pipeline to provide a production-level system-wide overview of the HPC workloads' power profile while handling evolving workloads exhibiting new power trends. We developed an open-set classification model for HPC jobs based on the properties of power profiles to continuously provide a system-wide holistic view of recently completed jobs. The pipeline helps continuously monitor the job-level power usage pattern of HPC and enables us to capture the new trends in applications' power behavior. We employed a comprehensive set of techniques to generate job-level data, custom-designed feature extraction methods to extract critical features from jobs' power profiles, clustering techniques powered by generative modeling, and open-set classification for identifying job profiles into known classes or an unknown set. With extensive evaluations, we demonstrate the effectiveness of each component in our pipeline. We provide an analysis of the resulting clusters that characterize the power profile landscape of the Summit supercomputer from more than 60K jobs executed in a year. The open-set classification classifies the known data sets into known classes with high accuracy and identifies unknown data noints with over 85% accuracy.

Karimi, Ahmad Maroof↗
DOE OSTI2018

Quantum Computation and Visualization of Hamiltonians Using Discrete Quantum Mechanics and IBM QISKit

Quantum computers have the potential to transform the ways in which we tackle some important problems. The efforts by companies like Google, IBM and Microsoft to construct quantum computers have been making headlines for years. Equally important is the challenge of translating problems into a state that can be fed to these machines. Because quantum computers are in essence controllable quantum systems, the problems that most naturally map to them are those of quantum mechanics. Quantum chemistry has seen particular success in the form of the variational quantum eigensolver (VQE) algorithm, which is used to determine the ground state energy of molecular systems. The goal of our work has been to use the matrix formulation of quantum mechanics to translate other systems so that they can be run through this same algorithm. We describe two ways of accomplishing this using a position basis approach and a Gaussian basis approach. We use this translation to compute finite temperature quantities such as the average energy as a function of temperature. We do this by constructing a 0+1- dimensional thermal field theory, constructing a thermal double of the system and using tensor products to construct operators in the system coupled to a heat bath. We also discuss how to include a chemical potential in the quantum computations. We then connect the 0+1 formalism to gauge theory by using an effective matrix model description used in nuclear theory. We study effective potentials for components of the gauge field and use the VQE algorithm to calculate the ground state energies. We also visualize the wave functions from the eigensolver and make comparisons to theoretical results obtained with continuous operators.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Thermodynamic Modeling of Heat Engines Including Heat Transfer and Compression–Expansion Irreversibilities

In this paper, a thermodynamic model based on an endoreversible engine approach is developed to analyze the performance of heat engines operating under different thermodynamic cycles. The model considers finite heat transfer rate, variable heat source and sink temperatures, and irreversibilities associated with the expansion and compression. Expressions for the maximum power and efficiency at maximum power output are obtained as a function of hot and cold reservoir temperatures, the equivalent isentropic efficiency of compression and expansion components, and the effective conductance ratio between heat exchangers. In all cases, the Curzon–Ahlborn efficiency is retrieved at constant reservoir temperatures and neglected compression–expansion irreversibilities. The proposed model allows assessing the effect of isentropic efficiencies and heat exchanger design and operation characteristics for different thermodynamic cycles.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2014

SU-E-I-29: Generalized Relative Object Detectability (G-ROD): A Metric for Comparing X-Ray Imaging Detector Systems

Purpose: To determine the relative task-specific performance of two x-ray imaging detectors including the effect of other components of the imaging chain. Methods: The relative object detectability (ROD) was defined as the ratio of the integral of the detective-quantum efficiency (DQE) of a detector weighted by the square of the Fourier Transform (or frequency spectrum) of the object to the same integral for a second detector. The generalized ROD (G-ROD) is calculated by replacing DQE by the generalized DQE (GDQE) which includes geometric unsharpness and scatter to evaluate the total imaging chain. The G-ROD was calculated for the micro-angiographic fluoroscope (MAF) relative to a flat-panel detector (FPD) for low (1.05) and high (1.2) magnifications with two focal-spot sizes, small (0.3 mm) and medium (0.5 mm), and for the same value of scatter fraction. Solid spheres from 50 to 600 microns were simulated as the objects for this evaluation. The G-ROD results were compared with those of the ROD which considers the detectors alone. Results: For 50-micron spheres, the ROD is 7.93 and, for the small [medium] focus, the G-ROD is 6.74 [5.22] at low magnification and 3.03 [1.66] at high magnification, indicating superior performance of the MAF particularly at low magnification. Both ROD and G-ROD decrease monotonically with size and remain around one above 400-microns. The G-ROD decreases more dramatically with low compared to high magnification for both focal spots. Conclusion: In all cases, the MAF performs better than the FPD and the decreasing trend of the G-ROD indicates that the performance of both detectors becomes similar as the object size increases and becomes nearly equal above 400-micron diameter sphere size. Finally, increased magnification and focal-spot size decrease the G-ROD, indicting that they degrade the performance of the MAF more than that of the FPD for a small-object viewing task. Supported by NIH Grant: 2R01EB002873 and an equipment grant from Toshiba Medical Systems Corporation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

MO-DE-207-04: Imaging educational program on solutions to common pediatric imaging challenges

This imaging educational program will focus on solutions to common pediatric imaging challenges. The speakers will present collective knowledge on best practices in pediatric imaging from their experience at dedicated children’s hospitals. The educational program will begin with a detailed discussion of the optimal configuration of fluoroscopes for general pediatric procedures. Following this introduction will be a focused discussion on the utility of Dual Energy CT for imaging children. The third lecture will address the substantial challenge of obtaining consistent image post -processing in pediatric digital radiography. The fourth and final lecture will address best practices in pediatric MRI including a discussion of ancillary methods to reduce sedation and anesthesia rates. Learning Objectives: To learn techniques for optimizing radiation dose and image quality in pediatric fluoroscopy To become familiar with the unique challenges and applications of Dual Energy CT in pediatric imaging To learn solutions for consistent post-processing quality in pediatric digital radiography To understand the key components of an effective MRI safety and quality program for the pediatric practice.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Dispersive optical-model potential for protons in 100 ⩽ A ⩽ 132 even–even tin isotopes

Data on single-particle energies, differential elastic-scattering cross sections, and total cross sections for proton-induced reactions on stable tin isotopes were analyzed on the basis of the dispersive optical model. Good agreement with experimental data was obtained by setting the parameters of the dispersive optical potential to values averaged over the tin isotopic chain and by assuming that the dependence of surface absorption on the neutron–proton asymmetry is close to a traditional dependence. Predictive calculations for single-particle proton spectra and total reaction cross sections were performed for the doubly magic isotopes {sup 100,132}Sn. The calculated values of the energy gap between the 1h{sub 11/2}–1g{sub 7/2} and 1g{sub 7/2}–2d{sub 5/2} states were found to be in good agreement with the results of calculations performed with allowance for the tensor component of the effective nucleon–nucleon interaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

pnnl/blueprint-styler

Make custom blueprint.css styles A framework for creating custom visual themes and styles for the Blueprintjs React component library: https://blueprintjs.com/docs/ Features create custom css themes and styles for Blueprintjs components visualize the effect of the custom styles during development publish an example application that includes all available themes: https://stash.pnnl.gov/pages/UXRSRC/blueprint-styler/master/browse/build/index.html publish the compiled theme to npm (or artifactory)

Bradford, James↗
DOE OSTI2017

Some Mathematical and Geophysical Considerations in Radioisotope Dating Applications

Some quality considerations for use in isotopic dating are presented to identify and correct heretofore unidentified overestimate scenarios. These include to a lesser degree the statistical interpretation issues with linear-least-squares fitting results but more importantly the isotope effect in the individual components of the isochron coefficient ratios. By taking into consideration the isotope effect (differential mass diffusion rates) when measuring isotopic ratios from very old samples, the distribution dependency in the coefficient ratios will cause a bias if isotopic diffusion rates are not identical throughout a sample. The isotope effect is that isotopes having a smaller atomic mass will diffuse faster throughout a medium than will their heavier counterparts causing concentration gradients of their ratios even when there are no contributions from radioactive decay. The application to Rb/Sr dating is evaluated and shown to result in expected age overestimates when isotopic ratios are employed to linearize the isochron. A suggested method to test for this effect is argued to require rigorous statistical analysis. An associated optimal sampling technique would involve using single-grain etching. It is also shown that the only method to fully eliminate the isotope effect is to not use isotopic ratios at all in radioisotopic dating as the physics do not require the use of isotopic ratios for geochronological dating. However, without the ratios, the data are inherently noisy.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Investigating the Role of TNF-α and IFN-γ Activation on the Dynamics of iNOS Gene Expression in LPS Stimulated Macrophages

Macrophage produced inducible nitric oxide synthase (iNOS) is known to play a critical role in the proinflammatory response against intracellular pathogens by promoting the generation of bactericidal reactive nitrogen species. Robust and timely production of nitric oxide (NO) by iNOS and analogous production of reactive oxygen species are critical components of an effective immune response. In addition to pathogen associated lipopolysaccharides (LPS), iNOS gene expression is dependent on numerous proinflammatory cytokines in the cellular microenvironment of the macrophage, two of which include interferon gamma (IFN-γ) and tumor necrosis factor alpha (TNF-α). To understand the synergistic effect of IFN-γ and TNF-α activation, and LPS stimulation on iNOS expression dynamics and NO production, we developed a systems biology based mathematical model. Using our model, we investigated the impact of pre-infection cytokine exposure, or priming, on the system. We explored the essentiality of IFN-γ priming to the robustness of initial proinflammatory response with respect to the ability of macrophages to produce reactive species needed for pathogen clearance. Results from our theoretical studies indicated that IFN-γ and subsequent activation of IRF1 are essential in consequential production of iNOS upon LPS stimulation. We showed that IFN-γ priming at low concentrations greatly increases the effector response of macrophages against intracellular pathogens. Ultimately the model demonstrated that although TNF-α contributed towards a more rapid response time, measured as time to reach maximum iNOS production, IFN-γ stimulation was significantly more significant in terms of the maximum expression of iNOS and the concentration of NO produced.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Extensions of BLUP Models for Genomic Prediction in Heterogeneous Populations: Application in a Diverse Switchgrass Sample

Genomic prediction is a useful tool to accelerate genetic gain in selection using DNA marker information. However, this technology typically relies on standard prediction procedures, such as genomic BLUP, that are not designed to accommodate population heterogeneity resulting from differences in marker effects across populations. In this study, we assayed different prediction procedures to capture marker-by-population interactions in genomic prediction models. Prediction procedures included genomic BLUP and two kernel-based extensions of genomic BLUP which explicitly accounted for population heterogeneity. To model population heterogeneity, dissemblance between populations was either depicted by a unique coefficient (as previously reported), or a more flexible function of genetic distance between populations (proposed herein). Models under investigation were applied in a diverse switchgrass sample under two validation schemes: whole-sample calibration, where all individuals except selection candidates are included in the calibration set, and cross-population calibration, where the target population is entirely excluded from the calibration set. First, we showed that using fixed effects, from principal components or putative population groups, appeared detrimental to prediction accuracy, especially in cross-population calibration. Then we showed that modelling population heterogeneity by our proposed procedure resulted in highly significant improvements in model fit. In such cases, gains in accuracy were often positive. These results suggest that population heterogeneity may be parsimoniously captured by kernel methods. However, in cases where improvement in model fit by our proposed procedure is null-to-moderate, ignoring heterogeneity should probably be preferred due to the robustness and simplicity of the standard genomic BLUP model.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

New Insights on the Mechanical Characterization of Kerogen-Rich Shale, KRS

In the past decade, mechanical, physical, and chemical characterization of reservoir shale rocks, such as the Woodford shale, which is kerogen-rich shale (KRS), has moved toward micro- and nanoscale testing and analyses. Nanoindentation equipment is now widely used in many industrial and university laboratories to measure shale anisotropic Young’s moduli, kerogen stiffness, plastic yield parameters, and other isotropic and anisotropic poromechanical and viscoelastic properties. However, to date, failure analyses of KRS and the effects of organic components on the tensile strength have not been observed or measured at the micro- or nanoscales. In this study, preserved kerogen-rich Woodford shale samples manufactured in micro-beam and micro-pillar geometries were mechanically tested and brought to failure in tension and compression, respectively. These tests were conducted in situ using a nanoindenter inside a scanning electron microscope (SEM). The load versus displacement curves of prismatic micro-cantilever beams were analyzed in light of high-resolution images collected during tensile fracture initiation, propagation, and ultimately sample failure. The micro-pillar geometries were subjected to a uniaxial compressive load and were also brought to failure while capturing measurements of stress and strain. It was found that, within just a few hundred microns of the KRS microcantilever beams, both brittle and ductile failure modes were observed. In the ductile plastic domain, strain-softening and strain-hardening behaviors were identified and characterized. These were not due to confining stress variations, but due to the volume of the organic matter and the way it is interlaced with the shale minerals in and around the failure planes. The tensile strength characteristics and the large modulus of toughness of kerogen, which is a cross-linked polymer, definitely weigh heavily in our engineering field applications, such as hydraulic fracking, which is a Mode I tensile fracture opening and propagation phenomenon. This practice demands that, due to the complex composite nature of KRS, mechanical characterization be not only for unconfined compressive strength but also for unconfined tensile strength and moduli of ruptures. At the end of this study, the need for nanometer scale mechanical characterization of KRS will become apparent. These nano- and micro-scale shale failure tests reinforce our previous understanding of the heterogeneous composite nature of Woodford KRS and its complex behavior, as well as other source shale reservoir formations.

58 GEOSCIENCES↗
DOE OSTI2012

Fuel quality issues in stationary fuel cell systems

Fuel cell systems are being deployed in stationary applications for the generation of electricity, heat, and hydrogen. These systems use a variety of fuel cell types, ranging from the low temperature polymer electrolyte fuel cell (PEFC) to the high temperature solid oxide fuel cell (SOFC). Depending on the application and location, these systems are being designed to operate on reformate or syngas produced from various fuels that include natural gas, biogas, coal gas, etc. All of these fuels contain species that can potentially damage the fuel cell anode or other unit operations and processes that precede the fuel cell stack. These detrimental effects include loss in performance or durability, and attenuating these effects requires additional components to reduce the impurity concentrations to tolerable levels, if not eliminate the impurity entirely. These impurity management components increase the complexity of the fuel cell system, and they add to the system's capital and operating costs (such as regeneration, replacement and disposal of spent material and maintenance).

01 COAL, LIGNITE, AND PEAT↗