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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

The Jefferson Lab program: From 6 GeV operations to the 12 GeV upgrade

The Thomas Jefferson National Laboratory and the CEBAF accelerator operated for more than a decade, running a comprehensive scientific program that improved our understanding of the strong interaction. The facility is now moving toward an upgrade of the machine, from 6 to 12 GeV; a new experimental hall will be added and the equipment of the three existing halls will be enhanced. In this contribution some selected results from the rich physics program run at JLab, as well as the prospects for the near future, will be presented.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Performance of Structural Alloys in Bio-oil Production, Upgrading, and Storage Systems

Selection of corrosion-resistant, cost-effective structural materials for the process and containment vessels required for the production, upgrading, and storage of biomass-derived oils has been the subject of study in our laboratory for many years. The wide variety of biomass resources and the many liquefaction techniques and processing conditions result in products with a broad range of properties and compositions. Here, this paper will address the materials issues in three distinct areas. In production, materials are exposed to temperatures that range from 350 to 550 °C depending upon the process. Generally, austenitic stainless steels have performed reasonably well, although thicker oxide scales and intergranular attack have sometimes been observed. For storage and transport of the bio-oil products, temperatures experienced by the containment materials are not expected to exceed 50 °C. Our studies have shown that most raw bio-oils contain significant concentrations of organic acids, and low-molecular-weight organic acids were quite corrosive to carbon and low alloy steels. For some applications, subsequent processing is required, which includes hydrotreating or co-processing with a petroleum-derived liquid. These processes utilize a catalyst that requires periodic retreatment with a sulfidizing gas, and the exposure to this gas at elevated temperatures can cause appreciable corrosion to the more common austenitic stainless steels. The materials considered most cost-effective and sufficiently corrosion-resistant for each of these environments were identified.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Concordant Mode Approach (CMA): Vibrational Analysis of New and Upgraded Intermolecular Benchmarks for Noncovalent Bonding

The Concordant Mode Approach (CMA) is a novel method that offers tremendous potential for increasing the system size and the level of theory attainable in quantum chemical computations of molecular vibrational frequencies. To investigate the extension of CMA to intermolecular vibrations, computations with coupled cluster singles and doubles with perturbative triples theory [CCSD(T)] using two augmented correlation-consistent polarized-valence triple-ζ basis sets (aug-cc-pVTZ or h-aug-ccpVTZ) were performed on 17 prototypical loosely bound complexes of hydrogen-bonded, dispersion, and mixed character. These Level A results provide new and upgraded benchmarks for noncovalent bonding and a severe test for CMA vibrational analyses. The Level A target frequencies were recovered remarkably well using second-order Møller−Plesset perturbation theory (MP2) with h-aug-cc-pVTZ for generating the underlying (Level B) normal modes of the CMA scheme. Employing this Level B within the lowest-rung CMA-0A method reproduces the 435 benchmark frequencies with a mean absolute error (MAE) of 0.23 cm −1 and a corresponding standard deviation (σ) of 0.84 cm −1 ; strikingly, the corresponding subset of 106 interfragment frequencies exhibits MAE = 0.34 cm −1 and σ = 0.90 cm −1 . Subsequent application of the higher-rung CMA-2A scheme eliminates all outliers and reduces the overall MAE to a minuscule 0.08 cm −1 with the inclusion of only 3.0% of the off-diagonal couplings not accounted for by CMA-0A. Accordingly, the highly efficient CMA methodology proves to be robust even for vibrations on flat potential energy surfaces.

Aromatic compounds↗
DOE OSTI2026

Confinement-Controlled Rearrangements in Dioxolane Upgrading on H-ZSM-5 Revealed by Periodic DFT

Zeolitic Brønsted acid sites catalyze carbocation rearrangements central to upgrading biomass-derived oxygenates. Here we elucidate the mechanism of dioxolane conversion to methyl ethyl ketone and isobutanal on H-ZSM-5 using periodic density functional theory on the MFI model, complemented by ab initio molecular dynamics to probe confinement effects. Dioxolane adsorption at the Brønsted site is followed by protonation-assisted ring opening to form an oxocarbenium intermediate stabilized by the deprotonated framework. From this common intermediate, selectivity is governed by two competing rearrangements, namely, the 1,2-hydride shift with a free-energy barrier of 18.05 kcal mol –1 at 498 K leading toward MEK, and the 1,2-methyl shift with a higher barrier of 25.40 kcal mol –1 leading toward isobutanal. The hydride-shift channel is kinetically preferred over the methyl-shift channel, lowering the isobutanal/MEK ratio below the 3:1 limit expected for equal branching. Adsorption thermodynamics further indicate stronger stabilization of MEK than isobutanal within ZSM-5 channels, suggesting that confinement-controlled binding can bias product distributions in addition to intrinsic rearrangement barriers. These results highlight how Brønsted acidity and pore confinement jointly shape the rearrangement landscape in MFI zeolites.

adsorption↗
DOE OSTI2016

Catalytic Upgrading in Bacteria-Compatible Conditions via a Biocompatible Aldol Condensation

Integrating non-enzymatic chemistry with living systems has the potential to greatly expand the types and yields of chemicals that can be sourced from renewable feedstocks. The in situ conversion of microbial metabolites to higher order products will ensure their continuous generation starting from a given cellular reaction mixture. We present here a systematic study of different organocatalysts that enable aldol condensation in biological media under physiological conditions of neutral pH, moderate temperature, and ambient pressure. The relative toxicities of each catalyst were tested against bacteria, and the catalysts were found to provide good yields of homoaldol products in bacterial cultures containing aldehydes. Lastly, we demonstrate that a biocompatible oil can be used to selectively extract the upgraded products, which enabes facile isolation and decreases the product toxicity to microbes.

2-ethylhexenal↗
DOE OSTI2017

Deactivation of Multilayered MFI Nanosheet Zeolite during Upgrading of Biomass Pyrolysis Vapors

Here, the catalytic fast pyrolysis (CFP) of biomass is a promising technology for producing renewable transportation fuels and chemicals. MFI-type catalysts have shown promise for CFP because they produce gasoline range hydrocarbons from oxygenated pyrolysis compounds; however, rapid catalyst deactivation due to coking is one of the major technical barriers inhibiting the commercialization of this technology. Coke deposited on the surface of the catalysts blocks access to active sites in the micropores leading to rapid catalyst deactivation. Our strategy is to minimize rapid catalyst deactivation by adding mesoporosity through forming MFI nanosheet materials. The synthesized MFI nanosheet catalysts were fully characterized and evaluated for cellulose pyrolysis vapor upgrading to produce olefins and aromatic hydrocarbons. The data obtained from pyrolysis-GCMS (py-GCMS), showed that fresh MFI nanosheets produced similar aromatic hydrocarbon and olefin yields compared to conventional HZSM-5. However, MFI nanosheets demonstrated a longer lifetime than HZSM-5 even though coke contents were also higher than for HZSM-5 because the mesopores enabled better accessibility to active acid sites. This conclusion was supported by results from post-reaction analysis of various spent catalysts collected at different points during the deactivation experiments.

09 BIOMASS FUELS↗
DOE OSTI2024

High-throughput dataset of impurity adsorption on common catalysts in biomass upgrading applications

Abstract An extensive dataset consisting of adsorption energies of pernicious impurities present in biomass upgrading processes on common catalysts and support materials has been generated. This work aims to inform catalyst and process development for the conversion of biomass-derived feedstocks to fuels and chemicals. A high-throughput workflow was developed to execute density functional theory calculations for a diverse set of atomic (Al, B, Ca, Cl, Fe, K, Mg, Mn, N, Na, P, S, Si, Zn) and molecular (COS, H 2 S, HCl, HCN, K 2 O, KCl, NH 3 ) species on 35 unique surfaces for transition-metal (Ag, Au, Co, Cu, Fe, Ir, Ni, Pd, Pt, Re, Rh, Ru) and metal-oxide (Al 2 O 3 , MgO, anatase-TiO 2 , rutile-TiO 2 , ZnO, ZrO 2 ) catalysts and supports. Approximately 3,000 unique adsorption geometries and corresponding adsorption energies were obtained.

09 BIOMASS FUELS↗
DOE OSTI2016

Techno-economic analysis for upgrading the biomass-derived ethanol-to-jet blendstocks

Here, this study summarizes the detailed techno-economic analysis of the ethanol-to-jet (ETJ) process based on two different feedstocks (corn grain and corn stover) at the plant scale of 2000 dry metric tons per day. Ethanol biologically derived from biomass is upgraded catalytically to jet blendstocks via alcohol dehydration, olefin oligomerization, and hydrotreating. In both pathways, corn-grain-derived ethanol to jet (corn mill ETJ) and corn-stover-derived ethanol to jet (corn stover ETJ), there are portions of gasoline and diesel produced as coproducts. Two cost bases are used in this study: the minimum jet fuel selling prices (MJSP) for jet-range blendstocks and the minimum fuel selling prices (MFSP) for all the hydrocarbons (gasoline, jet, and diesel) produced using a gallon gasoline equivalent (GGE) basis. The n th -plant MJSPs for the two pathways are estimated to be 4.20 per gal for corn mill and 6.14 per gal for corn stover, while MFSPs are 3.91 per GGE for corn mill and 5.37 per GGE for corn stover. If all of the hydrocarbon products (gasoline, jet, and diesel ranges) can be considered as fuel blendstocks using a GGE basis, the total hydrocarbon yield for fuel blendstock is 49.6 GGE per dry ton biomass for corn stover and 71.0 GGE per dry ton biomass for corn grain. The outcome of this study shows that the renewable jet fuel could be cost competitive with fossil derived jet fuel if further improvements could be made to increase process yields (particularly yields of sugars, sugar to ethanol, and ethanol to hydrocarbons), research and development of sustainable feedstocks, and more effective catalytic reaction kinetics. Pioneer plant analysis, which considers the increased capital investment and the decreased plant performance over the nth-plant analysis, is also performed, showing a potential 31%–178% increase in cost compared to the n th -plant assumptions for the dry mill pathway, but with a much wider range of 69%–471% cost increase over the n th -plant assumptions for the corn stover pathway. While there are large differences between the estimated first of a kind plant cost and the targeted nth-plant case, reduction of costs is possible through improvement of the overall process efficiency, yields, reduction in overall capital, co-product revenues and strategically improve performance by process learnings.

09 BIOMASS FUELS↗
DOE OSTI2015

Performance history and upgrades for the DIII-D gyrotron complex

The gyrotron installation on the DIII-D tokamak has been in operation at the second harmonic of the electron cyclotron resonance since the mid-1990s. Prior to that a large installation of ten 60 GHz tubes was operated at the fundamental resonance. The system has been upgraded regularly and is an everyday tool for experiments on DIII-D.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Overview of recent turbulence studies across multiple confinement modes at the ASDEX Upgrade tokamak using the Correlation Electron Cyclotron Emission diagnostic

This work presents an overview of recent and ongoing experimental measurements of core and edge turbulence across multiple confinement regimes using the Correlation Electron Cyclotron Emission (CECE) diagnostic at the ASDEX Upgrade (AUG) tokamak. A common goal among these investigations is to identify how the properties of the turbulent electron temperature fluctuations measured by CECE influence and regulate the unique transport characteristics of each confinement regime, including L-mode, I-mode, ELMy H-mode, and ELM-free H-mode. Optics and signal processing methods to aid in the analysis and interpretation of experimental turbulence results are also presented. These methods, and particularly the down-sampling and ensemble averaging method, are relevant to a wide variety of fusion and non-fusion applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Improved chopping of a lithium beam for plasma edge diagnostic at ASDEX Upgrade

The lithium beam diagnostic at ASDEX Upgrade routinely delivers electron density profiles in the plasma edge by lithium beam impact excitation spectroscopy. An accurate background subtraction requires a periodically chopped lithium beam. A new, improved chopping system was developed and installed. It involves a voltage modulation for the extractor electrode and the beam deflection plates. The modulation of the extractor electrode reduces the unused portion of lithium ions and improves the stability of the beam with respect to its position. Furthermore, the data indicate an extended emitter lifetime. The extractor chopping was also found to be insensitive to sparks. The deflection chopping experiments demonstrated beam chopping in the kilohertz range. The significantly higher modulation frequency of the deflection chopping improves background subtraction of fast transient events. It allows a more accurate density measurements in the scrape off layer during impurity injections and edge localized modes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

Design of a millimeter-wave polarimeter for NSTX-Upgrade and initial test on DIII-D

Polarimetry is a powerful diagnostic technique to probe plasma equilibria and magnetic fluctuations in fusion plasmas. In a high beta plasma such as the National Spherical Torus eXperiment (NSTX), these measurements are important to understand plasma stability and anomalous transport. A 288 GHz polarimeter operating along a major radial chord in retroreflection geometry has been developed and is being tested on the DIII-D tokamak to prepare for future implementation on NSTX-Upgrade. The system launches a rotating linearly polarized beam and detects the phase shift directly related to the polarization change caused by the plasma. To accomplish this, a pair of orthogonal linearly polarized beams with a stable difference frequency is generated using a single sideband modulation technique, then combined and transformed to be counter-rotating circularly polarized. To improve phase resolution, quasi-optical isolation, using Faraday rotators and polarizers, is utilized to eliminate a multi-path feedback effect, which is found to be the primary source of phase error. The bench tests in the laboratory and DIII-D power supply test discharges indicate {<=}1 Degree-Sign phase resolution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

Upgrade of the JET far infrared interferometer diagnostic

In recent years there has been a major upgrade of the JET far infrared diagnostic system consisting of a new laser system with the wavelength at 118.8 {mu}m at and more advanced processing electronics for phase counting. This provides a second colour measurement of the electron plasma density on the vertical system. Due to the shorter wavelength, the plasma induced laser beam refraction is reduced by a factor of three alleviating density errors caused by loss of signal (so-called 'fringe jumps'[A. Murari et al., Rev. Sci. Instrum. 77, 073505 (2006)]), in particular during high performance plasmas experiments in JET.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

Upgrade of the infrared camera diagnostics for the JET ITER-like wall divertor

For the new ITER-like wall at JET, two new infrared diagnostics (KL9B, KL3B) have been installed. These diagnostics can operate between 3.5 and 5 {mu}m and up to sampling frequencies of {approx}20 kHz. KL9B and KL3B image the horizontal and vertical tiles of the divertor. The divertor tiles are tungsten coated carbon fiber composite except the central tile which is bulk tungsten and consists of lamella segments. The thermal emission between lamellae affects the surface temperature measurement and therefore KL9A has been upgraded to achieve a higher spatial resolution (by a factor of 2). A technical description of KL9A, KL9B, and KL3B and cross correlation with a near infrared camera and a two-color pyrometer is presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

Interpretation of the effects of electron cyclotron power absorption in pre-disruptive tokamak discharges in ASDEX Upgrade

Tokamak disruptions are events of fatal collapse of the magnetohydrodynamic (MHD) confinement configuration, which cause a rapid loss of the plasma thermal energy and the impulsive release of magnetic energy and heat on the tokamak first wall components. The physics of the disruptions is very complex and non-linear, strictly associated with the dynamics of magnetic tearing perturbations. The crucial problem of the response to the effects of localized heat deposition and current driven by external (rf) sources to avoid or quench the MHD tearing instabilities has been investigated both experimentally and theoretically on the ASDEX Upgrade tokamak. The analysis of the conditions under which a disruption can be prevented by injection of electron cyclotron (EC) rf power, or, alternatively, may be caused by it, shows that the local EC heating can be more significant than EC current drive in ensuring neoclassical tearing modes (NTMs) stability, due to two main reasons: first, the drop of temperature associated with the island thermal short circuit tends to reduce the neoclassical character of the instability and to limit the EC current drive generation; second, the different effects on the mode evolution of both the location of the power deposition relative to the island separatrix and the island shape deformation lead to less strict requirements of precise power deposition focussing. A contribution to the validation of theoretical models of the events associated with NTM is given and can be used to develop concepts for their control, relevant also for ITER-like scenarios.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗