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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

The transcriptional activator GaaR of Aspergillus niger is required for release and utilization of d- galacturonic acid from pectin

We identified the d-galacturonic acid (GA)-responsive transcriptional activator GaaR of the saprotrophic fungus, Aspergillus niger, which was found to be essential for growth on GA and polygalacturonic acid (PGA). Growth of the ΔgaaR strain was reduced on complex pectins. Genome-wide expression analysis showed that GaaR is required for the expression of genes necessary to release GA from PGA and more complex pectins, to transport GA into the cell, and to induce the GA catabolic pathway. Residual growth of ΔgaaR on complex pectins is likely due to the expression of pectinases acting on rhamnogalacturonan and subsequent metabolism of the monosaccharides other than GA.

58 GEOSCIENCES↗
DOE OSTI2020

Li 5 VF 4 (SO 4 ) 2 : A Prototype High-Voltage Li-Ion Cathode.

A Li-rich polyanionic compound based on V 3+ with a previously unknown structure, Li 5 VF 4 (SO 4 ) 2 , has been developed as a high-voltage cathode material for Li-ion batteries. The solvothermal preparation of this material, crystal structure solution, and initial electrochemical characterization are presented. An analysis based on density functional theory electronic structure calculations suggests that a high voltage close to 5 V is required to extract two Li ions and to reach the oxidation state of V 5+ . However, the use of conventional carbonate-based electrolytes, which exhibit increasing degradation above a potential of 4.3 V, does not permit the full capacity of this compound to be achieved at this time.

25 ENERGY STORAGE↗
DOE OSTI2023

Future of the MUSiC Experiment Data

The Measurements of Uranium Subcritical and Critical (MUSiC) experiment was a highly enriched uranium (HEU) experiment performed at the National Criticality Experiments Research Center (NCERC) executed between December 2020 and April 2021. The experiment intended to measure criticality and reactor kinetics parameters in a bare HEU system. The experiment concurrently measured radiation signatures from the system while utilizing different neutron source types. This was an attempt to benchmark both detectors and analysis techniques against one another for identical measurements. The experiment consisted of the Rocky Flats HEU hemi-shells constructed into ten configurations spanning between deeply subcritical (about 14 kgs) to supercritical (about 60 kgs). Two of the ten configurations were supercritical and the other eight were subcritical. The two supercritical configurations, often referred to as the critical configurations, were documented into an International Criticality Safety Benchmark Evaluation Project (ICSBEP) benchmark evaluation and submitted to the technical review group (TRG). The subcritical configurations of the MUSiC experiment were examined using three different detection systems. The systems include: the NoMAD He-3 neutron detector which consists of 15 He-3 tubes surrounded by a polyethylene matrix, a liquid scintillator system called the Rossi-α Measurement Rapid Organic Discriminating Detector (RAM-RODD), and a trans-stilbene organic scintillator array (OSCAR) provided by the University of Michigan. The NoMAD and RAM-RODD data are planned to be evaluated in two separate ICSBEP evaluations utilizing neutron noise methods such as Feynman Variance-to-Mean, Rossi-α and the pulsed neutron source method. Each of the subcritical configurations were examined using three different source types including: a Cf-252 source in the center, with only the intrinsic neutron source in the HEU, and with an external D-T neutron generator.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Availability and Reliability analysis of Proton Improvement Plan-II Superconducting Radio Frequency Linear Accelerator

Proton Improvement Plan -II is high intensity and high energy proton accelerator which will be used to support neutrino program at Fermilab. Due to the requirement from experiments, this accelerator is designed to be a highly reliable and available system. In this paper, a reliability model has been created which depicts a complete accelerator system and supporting utilities. Reliability and Availability of the complete system are estimated. It has been shown that Availability and Reliability of the system can be increased significantly by introducing failure tolerance of the beamline elements in each accelerating section of superconducting linac.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Computational fluid dynamic modeling to determine the indoor environment of an electron-ion collider service building

The design for the Electron-Ion Collider (EIC) calls for several service buildings that house various power supplies and control electronics for the collider ring itself. In order to operate within specified conditions, the ambient air entering the power supplies needs to be within a certain temperature range while dissipating the heat from losses. Proper cooling is therefore a necessity in the service buildings to ensure that every aspect of the EIC works as intended. Since the EIC is in the design stage, we are evaluating the indoor environment of the service building using the current design specifications. We have researched multiple forms of literature and performed the necessary calculations to compile a list of boundary conditions that accurately represent the situation at hand. We are using computational fluid dynamics modeling to solve the conservation equations for mass, momentum, and energy (Navier-Stokes). This allows us to perform a finite element analysis which will give us the flow distribution in the room as well as temperature profiles throughout the building. We have obtained a simulation result giving us the temperature profiles for the building and it shows that the placement of the racks and supply vents are essential to obtaining an even temperature distribution. This model will provide a basis for design decisions which will affect the overall cooling of the service building without extending the schedule and avoiding a costly reworking of the cooling system.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Diffraction of radio frequency waves by spatially modulated interfaces in the plasma edge in tokamaks

The use of radio frequency (RF) waves in fusion plasmas for heating, for non-inductive current generation, for profile control, and for diagnostics has been well established. The RF waves, excited by antenna structures placed near the wall of a fusion device, have to propagate through density fluctuations in the plasma edge. These fluctuations can modify the properties of the RF waves that propagate towards the core of the plasma. A full-wave electromagnetic computational code ScaRF based on the finite diifference frequency domain (FDFD) method has been developed to study the effect of density turbulence on RF waves. The anisotropic plasma permittivity used in the scattering studies is that for a magnetized, cold plasma. The code is used to study the propagation of an RF plane wave through a modulated, spatially periodic density interface. Such an interface could arise in the edge region due to magnetohydrodynamic instability or drift waves. The frequency of the plane wave is taken to be in the range of the electron cyclotron frequency. The scattering analysis is applicable to ITER-like plasmas, as well as to plasmas in medium sized tokamaks such as TCV, ASDEX-U, and DIII-D. The effect of diifferent density contrasts across the interface and of diifferent spatial modulations are discussed. While ScaRF is used to study a periodic density fluctuation, the code is general enough to include diifferent varieties of density fluctuations in the edge region -- such as blobs and filaments, and spatially random fluctuations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Comprehensive ecosystem model-experiment synthesis using multiple datasets at two temperate forest free-air CO2 enrichment experiments: model performance and compensating biases

Free Air CO2 Enrichment (FACE) experiments provide a remarkable wealth of data to test the sensitivities of terrestrial ecosystem models (TEMs). In this study, a broad set of 11 TEMs were compared to 22 years of data from two contrasting FACE experiments in temperate forests of the south eastern US the evergreen Duke Forest and the deciduous Oak Ridge forest. We evaluated the models' ability to reproduce observed net primary productivity (NPP), transpiration and Leaf Area index (LAI) in ambient CO2 treatments. Encouragingly, many models simulated annual NPP and transpiration within observed uncertainty. Daily transpiration model errors were often related to errors in leaf area phenology and peak LAI. Our analysis demonstrates that the simulation of LAI often drives the simulation of transpiration and hence there is a need to adopt the most appropriate of hypothesis driven methods to simulate and predict LAI. Of the three competing hypotheses determining peak LAI (1) optimisation to maximise carbon export, (2) increasing SLA with canopy depth and (3) the pipe model the pipe model produced LAI closest to the observations. Modelled phenology was either prescribed or based on broader empirical calibrations to climate. In some cases, simulation accuracy was achieved through compensating biases in component variables. For example, NPP accuracy was sometimes achieved with counter-balancing biases in nitrogen use efficiency and nitrogen uptake. Combined analysis of parallel measurements aides the identification of offsetting biases; without which over-confidence in model abilities to predict ecosystem function may emerge, potentially leading to erroneous predictions of change under future climates.

Walker, Anthony P↗
DOE OSTI2022

Assessment of Outliers in Alloy Datasets Using Unsupervised Techniques

We report advancements in data analytics techniques have enabled complex, disparate datasets to be leveraged for alloy design. Identifying outliers in a dataset can reduce noise, identify erroneous and/or anomalous records, prevent overfitting, and improve model assessment and optimization. In this work, two alloy datasets (9-12% Cr ferritic martensitic steels, and austenitic stainless steels) have been assessed for outliers using unsupervised techniques and supplemented with domain knowledge. Principal component analysis and k-means clustering were applied to the data, and points were assessed as outliers based on their distance away from other points in the cluster and from other points in the dataset. The outlier characteristics were investigated to determine both cluster-specific and overall trends in the properties of the outlier points. The approach demonstrated here is extensible to other alloy datasets for outlier identification and evaluation to improve the reliability of machine learning and modeling predictions for advanced alloy design.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Incoherent Bi off-centering in Bi₂Ti₂O₆O' and Bi₂Ru₂O₆O': Insulator versus metal

In the cubic, stoichiometric oxide compounds Bi₂Ti₂O₆O' (also written as Bi₂Ti₂O₇) and Bi₂Ru₂O₆O' (also written as Bi₂Ru₂O₇) Bi³⁺ ions on the pyrochlore A site display a propensity to off-center. Unlike Bi₂Ti₂O₆O', Bi₂Ru₂O₆O' is a metal, so it is of interest to ask whether conduction electrons and/or involvement of Bi 6s states at the Fermi energy influence Bi³⁺ displacements. The Bi³⁺ off-centering in Bi₂Ti₂O₆O' has previously been revealed to be incoherent from detailed reverse Monte Carlo analysis of total neutron scattering. Similar analysis of Bi₂Ru₂O₆O' reveals incoherent off-centering as well, but of smaller magnitude and with distinctly different orientational preference. Analysis of the distributions of metal to oxygen distances presented suggests that Bi in both compounds is entirely Bi³⁺. Disorder in Bi₂Ti₂O₆O' has the effect of stabilizing valence while simultaneously satisfying the steric constraint imposed by the presence of the lone pair of electrons. In Bi₂Ru₂O₆O', off-centering is not required to satisfy valence and seems to be driven by the lone pair. Decreased volume of the lone pair may be a result of partial screening by conduction electrons.

Shoemaker, Daniel P.↗
DOE OSTI2011

Probing local structure in the yellow phosphor LaSr[subscript 2]AlO[subscript 5]:Ce[superscript 3+], by the maximum entropy method and pair distribution function analysis

The compound LaSr{sub 2}AlO{sub 5} was recently introduced as a competitive Ce{sup 3+} host material for blue-pumped yellow phosphors for use in white light emitting diodes. A crucial feature of the crystal structure of LaSr{sub 2}AlO{sub 5} is that La, which is the host site for Ce{sup 3+}, is located in the 8h positions of the I4/mcm crystal structure, a site equally shared with Sr. While the average crystal structure of LaSr{sub 2}AlO{sub 5} as revealed by Rietveld analysis of laboratory and synchrotron X-ray diffraction data suggests nothing untoward, maximum entropy method analysis of the synchrotron X-ray data reveals the existence of conspicuous non-sphericity of the electron density. Pair distribution function analysis of the data suggests that despite their occupying the same crystallographic site, La and Sr possess distinct coordination environments, and the environment around La is more compact and regular than the environment suggested by the Rietveld refinement of the average structure. The absorption and emission from Ce{sup 3+} centers is controlled by the local coordination and symmetry, and the use of powerful new tools in unraveling details of these strengthens the rational search for new phosphors for solid state white lighting.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Simulation of Conduction Cooled SRF Cavity

SRF cavities are used heavily in high energy physics research, but the operational complexities of SRF cavities prevent their widespread use in industry. One notable complexity of operating an SRF cavity is liquid helium coolant, and replacing liquid helium with cryocooler conduction cooling is an important research and development interest. As part of this effort, a system consisting of a 650 MHz single cell cavity, a commercial grade pulse tube refrigerator, and a thermal conduction link was simulated through finite element analysis. The electromagnetic fields inside the cavity, heat flow through the system, and temperature distribution of the thermal link and cavity were calculated. Based on the simulation, we found that a 2 W @ 4.2 K pulse tube refrigerator is capable of cooling a single cell Nb 3 Sn coated cavity operating at up to 12 MV/m accelerating gradient. The maximum simulated temperature of the cavity was below 7 K, and the thermal conduction link was shown to significantly attenuate the cryocooler thermal oscillations at the location of the cavity

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

The Role of Structural and Compositional Heterogeneities in the Insulator-to-Metal Transition in Hole-Doped APd 3 O 4 (A = Ca, Sr)

The cubic semiconducting compounds APd 3 O 4 (A = Ca, Sr) can be hole-doped by Na substitution on the A site and driven toward more conducting states. This process has been followed here by a number of experimental techniques to understand the evolution of electronic properties. While an insulator-to-metal transition is observed in Ca 1–x Na x Pd 3 O 4 for x ≥ 0.15, bulk metallic behavior is not observed for Sr 1–x Na x Pd 3 O 4 up to x = 0.20. Given the very similar crystal and (calculated) electronic structures of the two materials, the distinct behavior is a matter of interest. We present evidence of local disorder in the A = Sr materials through the analysis of the neutron pair distribution function, which is potentially at the heart of the distinct behavior. Solid-state 23 Na nuclear magnetic resonance studies additionally suggest a percolative insulator-to-metal transition mechanism, wherein presumably small regions with a signal resembling metallic NaPd 3 O 4 form almost immediately upon Na substitution, and this signal grows monotonically with substitution. Here, some signatures of increased local disorder and a propensity for Na clustering are seen in the A = Sr compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A numerical evaluation of the ambient air temperature in the Electron-Ion Collider tunnel

The Electron-Ion Collider (EIC) is a next-generation collider-accelerator that may require consistent operating temperature conditions for the beams within the accelerator tunnels to maintain stable operation. Variations in ambient temperature within the tunnel can cause thermal expansion of beampipe and component supports and can negatively affect the tunnel equipment, impacting the stability of the beamline. Modifications will be made to the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory (BNL) to create the EIC, which necessitates a temperature model that addresses these modifications. To approach this problem, the consistency of temperature changes in different tunnel sections was first evaluated by plotting RHIC tunnel temperature data at various times of the day and year. From this data, a tunnel section was selected and a 2D temperature model was created for RHIC, EIC, and EIC with added cooling configurations. Soil temperature data was analyzed to determine the maximum, average, and mode soil temperatures, which were used as boundary conditions in different temperature scenarios. Computational fluid dynamics modeling was used to create 2D temperature profiles for the configurations. From this model, the predicted temperatures indicate that further analysis is required to validate the boundary conditions and benchmark the current conditions to allow the prediction of the tunnel ambient conditions at EIC. This research can be used as a preliminary model to create an EIC tunnel cooling system that will increase the operational stability of the EIC. As a result of my work this summer, I have become familiar with computational fluid dynamics, including creating fluid dynamic simulations using ANSYS Fluent and related software. I have also learned about the project process required for planning large-scale engineering projects.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Data Science Techniques, Assumptions, and Challenges in Alloy Clustering and Property Prediction

Data analytics methods have been increasingly applied to understanding materials chemistry, processing due to the manufacturing approach, and uni-axial and cyclic property relationships in the highly complex space of alloy design. There are several benefits to applying data analytics to this space, including the ability to manage non-linearities in the responses of the alloy attributes and the resulting mechanical properties. However, key difficulties in applying and understanding the results of data analytics include the often lack of reported assumptions and data processing steps necessary to improve interpretation and reproducibility in derived results. In this work, the methods used to generate clustering and correlation analyses for experimental 9% Cr ferritic-martensitic steel data were investigated and the resulting implications for mechanical property predictions were assessed. This work uses principal component analysis, partitioning around medoids, t-SNE, and k-means clustering to investigate trends in composition, processing and microstructure information with creep and tensile properties, building on work done previously using a smaller version of the same dataset. The initial assumptions, preprocessing steps and methods are investigated and outlined in order to depict the fine level of detail required to convey the steps taken to process data and produce analytical results. Here, the variations in the resulting analyses are explored due to the influence of new and more varied data.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Probing dynamical symmetry breaking using quantum-entangled photons

Here, we present an input/output analysis of photon-correlation experiments whereby a quantum mechanically entangled bi-photon state interacts with a material sample placed in one arm of a Hong–Ou–Mandel apparatus. We show that the output signal contains detailed information about subsequent entanglement with the microscopic quantum states in the sample. In particular, we apply the method to an ensemble of emitters interacting with a common photon mode within the open-system Dicke model. Our results indicate considerable dynamical information concerning spontaneous symmetry breaking can be revealed with such an experimental system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Energy-Dispersive X-ray Spectroscopy and Atom-probe Tomography Data Quantifying Component-Ratios of Multicomponent Nano-Precipitates in Ion-Irradiated Ceria

Samples of ~1 µm films of CeO2 doped with 2 wt% Mo, 1.5 wt% Ru, 0.75 wt% Pd, 0.5 wt% Re and 0.25 wt% Rh grown with pulsed laser deposition were irradiated with I2+ ions (610°C and 730°C, 1016 and 5×1016 I2+/cm2). For selected samples post-irradiation heat treatment was conducted (900°C, 1100°C). The specimens were sectioned with focussed ion beam milling and characterized in a transmission electron microscope with energy dispesive x-ray spectroscopy, and with atom-probe tomography. Energy dispersive x-ray spectroscopy was used to obtain elemental maps showing the distribution of dopants in the specimen after exposure. Some of these maps are discussed in detail in our companion article “Formation of multicomponent alloy particles in doped ceria under I2+ ion irradiation and thermal annealing” in the Journal of Nuclear Materials [REF]. Advanced computational analysis could be used to more accurately quantify local compositions. Data is provided for additional regions of interest and one additional irradiation condition. The doped Ceria film that was heat treated at 1100 °C delaminated from the substrate in most places. Samples were extracted from the underside of a delaminated piece and analyzed with atom-probe tomography. The resulting data show Ceria and a Mo-rich particle and demonstrate that this approach is feasable in principle to study local compositions in a sample exposed to such extreme conditions.

multicomponent alloys, epsilon phase, EDS, atom pr↗
DOE OSTI2018

Quantifying the relative contribution of factors to household vehicle miles of travel

Household vehicle miles of travel (VMT) has been exhibiting a steady growth in post-recession years in the United States and has reached record levels in 2017. With transportation accounting for 27 percent of greenhouse gas emissions, planning professionals are increasingly seeking ways to curb vehicular travel to advance sustainable, vibrant, and healthy communities. Although there is considerable understanding of the various factors that influence household vehicular travel, there is little knowledge of their relative contribution to explaining variance in household VMT. This paper presents a holistic analysis to identify the relative contribution of socio-economic and demographic characteristics, built environment attributes, residential self-selection effects, and social and spatial dependency effects in explaining household VMT production. The modeling framework employs a simultaneous equations model of residential location (density) choice and household VMT generation. The analysis is performed using household travel survey data from the New York metropolitan region. Model results showed insignificant spatial dependency effects, with socio-demographic variables explaining 33 percent, density (as a key measure of built environment attributes) explaining 12 percent, and self-selection effects explaining 11 percent of the total variance in the logarithm of household VMT. The remaining 44 percent remains unexplained and attributable to omitted variables and unobserved idiosyncratic factors, calling for further research in this domain to better understand the relative contribution of various drivers of household VMT.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2012

HIGH-RESOLUTION X-RAY SPECTROSCOPY REVEALS THE SPECIAL NATURE OF WOLF-RAYET STAR WINDS

We present the first high-resolution X-ray spectrum of a putatively single Wolf-Rayet (WR) star. 400 ks observations of WR 6 by the XMM-Newton telescope resulted in a superb quality high-resolution X-ray spectrum. Spectral analysis reveals that the X-rays originate far out in the stellar wind, more than 30 stellar radii from the photosphere, and thus outside the wind acceleration zone where the line-driving instability (LDI) could create shocks. The X-ray emitting plasma reaches temperatures up to 50 MK and is embedded within the unshocked, 'cool' stellar wind as revealed by characteristic spectral signatures. We detect a fluorescent Fe line at Almost-Equal-To 6.4 keV. The presence of fluorescence is consistent with a two-component medium, where the cool wind is permeated with the hot X-ray emitting plasma. The wind must have a very porous structure to allow the observed amount of X-rays to escape. We find that neither the LDI nor any alternative binary scenario can explain the data. We suggest a scenario where X-rays are produced when the fast wind rams into slow 'sticky clumps' that resist acceleration. Our new data show that the X-rays in single WR star are generated by some special mechanism different from the one operating in the O-star winds.

79 ASTRONOMY AND ASTROPHYSICS↗