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At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Grain size evolution and fractionation trends in an experimental regolith

The communication of blocky planetary surfaces into fine-grained regoliths was simulated by impacting a fragmental gabbro target 200 times with stainless steel projectiles. It is found that the comminution efficiency of the surfaces changes with time, being highest in the early stages of regolith formation and decreasing gradually. The relationship between mean grain size and cumulative energy is not linear. Individual, fine-grained regolith components can be generated very early from relatively large progenitor fragments without going through intermediate-size fractions. Impact comminution is capable of producing fractionated fines as postulated by Papike et al. (1982). The role of grain-size selective, lateral transport to explain the fractionated nature of lunar regolith fines may have been overestimated in the past.

Horz, F.↗
NASA NTRS1987

Parabolic heavy ion flow in the polar magnetosphere

Recent observations by the Dynamics Explorer 1 satellite over the dayside polar cap magnetosphere have indicated downward flows of heavy ions such as O(+), O(2+), N(+), and N(2+) with flow velocities of the order 1 km/s (Lockwood et al., 1985). These downward flows were interpreted as the result of 'parabolic' flow of these heavy ionospheric ions from a source region associated with the polar cleft topside ionosphere. Here, a two-dimensional kinetic model is utilized to elicit features of the transport of very low energy O(+) ions from the cleft ionosphere. Bulk parameter (density, flux, thermal energies, etc.) distributions in the noon-midnight meridian plane illustrate the effects of varying convection electric fields and source energies. The results illustrate that, particularly under conditions of weak convection electric fields and weak ion heating in the cleft region, much of the intermediate altitude polar cap magnetosphere may be populated by downward flowing heavy ions. It is further shown how two-dimensional transport effects may alter the characteristic vertical profiles of densities and fluxes from ordinary profiles computed in one-dimensional steady-state models.

Horwitz, J. L.↗
NASA NTRS1989

A space-based combined thermophotovoltaic electric generator and gas laser solar energy conversion system

This paper describes a spaceborne energy conversion system consisting of a thermophotovoltaic electric generator and a gas laser. As a power source for the converson, the system utilizes an intermediate blackbody cavity heated to a temperature of 2000-2400 K by concentrated solar radiation. A double-layer solar cell of GaAs and Si forms a cylindrical surface concentric to this blackbody cavity, receiving the blackbody radiation and converting it into electricity with cell conversion efficiency of 50 percent or more. If the blackbody cavity encloses a laser medium, the blackbody radiation can also be used to simultaneously pump a lasing gas. The feasibility of blackbody optical pumping at 4.3 microns in a CO2-He gas mixture was experimentally demonstrated.

Yesil, Oktay↗
NASA NTRS1992

Modelling of IR emission of interstellar clouds. I - Emission of isolated clouds and dust abundance variations

A model for the IR emission and extinction properties of small dust particles is used here to compute the IR emissions in the IRAS photometric bands for a set of isolated, spherical, and nonhomogeneous clouds heated by the local interstellar radiation field. It is predicted that the IR limb brightening (LB) in the IRAS photometric bands caused by selective absorption of UV photons of different energies in the cloud generally happens for central extinctions over 4 mag at 12 microns and greater than 10 mag at 100 microns and intermediate extinctions for the other IRAS bands. The surface brightness in the four IRAS bands is limited to about 0.4, 0.6, 3, and 10 MJy/sr at 12, 25, 60, and 100 microns respectively when no strong density discontinuity is present at the cloud edge.

Bernard, J. P.↗
NASA NTRS1995

Dimethoxymethane: A Fuel For Direct-Oxidation Fuel Cells

Dimethoxymethane (DMM) identified as one of several high-energy fuels for direct-oxidation fuel cells. Found to undergo facile electro-oxidation to carbon dioxide and water, with methanol as possible intermediate product. Fuel electro-oxidized at sustained high rates without poisoning electrodes. Performance superior to that of methanol at same temperature. Synthesized from natural gas (methane) and is thus viable alternative to methanol in direct-oxidation fuel cells. Better performance expected at higher temperature and by use of Pt/Sn catalyst. Alternatively, low boiling temperature of DMM also makes it candidate for gas-feed operation.

Olah, George A.↗
NASA NTRS2012

Superconducting Effects in Optimization of Magnetic Penetration Thermometers for X-ray Microcalorimeters

We have made high resolution x-ray microcalorimeters using superconducting MoAu bilayers and Nb meander coils. The temperature sensor is a Magnetic Penetration Thermometer (MPT). Operation is similar to metallic magnetic calorimeters, but instead of the magnetic susceptibility of a paramagnetic alloy, we use the diamagnetic response of the superconducting MoAu to sense temperature changes in an x-ray absorber. Flux-temperature responsivtty can be large for small sensor heat capacity, with enough dynamic range for applications. We find models of observed flux-temperature curves require several effects to explain flux penetration or expulsion in the microscopic devices. The superconductor is non-local, with large coherence length and weak pinning of flux. At lowest temperatures, behavior is dominated by screening currents that vary as a result of the temperature dependence of the magnetic penetration depth, modified by the effect of the nonuniformity of the applied field occurring on a scale comparable to the coherence length. In the temperature regime where responslvity is greatest, spadal variations in the order parameter become important: both local variations as flux enters/leaves the film and an intermediate state is formed, and globally as changing stability of the electrical circuit creates a Meissner transition and flux is expelled/penetrates to minimize free energy.

Stevenson, Thomas R.↗
DOE OSTI2025

Status of the MARS code

This report describes major features of the most recent version of the MARS code as well as ongoing developments. The list of features includes various options for geometry models, a beam line builder based on MADX code, import of geometry models in GDML format, use of structured and unstructured meshes for scoring purposes, an update to the recent TENDL library for a number of projectiles at low energies (up to 250 MeV), and a recently implemented method to calculate spatial distribution of residual dose in a single computer run without an intermediate source. Examples of the code application to various projects are presented as well.

Rakhno, Igor [Fermilab] (ORCID:0000000265828058)↗
DOE OSTI2022

Aldol Condensation and Esterification over Ti-Substituted *BEA Zeolite: Mechanisms and Effects of Pore Hydrophobicity

Aldol condensation and esterification reactions provide paths to upgrade ethanol and acetaldehyde to higher- value molecules useful as fuels or intermediates for the synthesis of polymers. Transition-metal-substituted BEA zeolites (M-BEA) catalyze these reactions; however, the mechanisms for these processes in M-BEA and the effects of incidental or purposefully included silanol groups are not reported. Here, we combine kinetic and spectroscopic measurements obtained during catalytic reactions of acetaldehyde (CH 3 CHO), ethanol (C 2 H 5 OH), and hydrogen (H 2 ) mixtures over a series of Ti-BEA catalysts that possess a known range of silanol group densities to examine the kinetic relevance of intervening steps and the impact of silanol groups on catalytic rates. Across all Ti-BEA, rates for aldol condensation and esterification increase with the pressure of CH 3 CHO; however, C 2 H 5 OH and H 2 O weakly inhibit the rates of these reactions. The substitution of CD 3 CDO for CH 3 CHO decreases aldol condensation rates slightly (~10%) but leads to greater esterification rates (2- to 5-fold). The kinetic isotope effects together with the measured dependence of rates on reactant pressures suggest that aldol condensation and esterification occur on unoccupied Ti sites and involve multiple kinetically relevant steps. CH 3 CHO deprotonates irreversibly, and the kinetically relevant nucleophilic attack of the enolate to CH 3 CHO* (i.e., adsorbed CH 3 CHO on Ti sites) leads to aldol products, while the nucleophilic attack of the enolate to C 2 H 5 OH* gives esters. Selectivities toward aldol condensation increase with the ratio of CH 3 CHO to C 2 H 5 OH pressure and with increases in the silanol density of the as-synthesized Ti-BEA. During catalysis, in situ infrared spectroscopy demonstrates that these silanol groups react with C 2 H 5 OH to form ethoxysilane groups (i.e., SiOC 2 H 5 ) that modify the polarity of the environment near Ti active sites. As initial silanol densities increase, steady-state turnover rates for aldol condensation and esterification increase by factors of 5 and 2, respectively. The changes in rates and selectivities among Ti-BEA catalysts likely reflect changes in excess free energies of transition states for enolization and nucleophilic attack of the enolate to adsorbed coreactants. The differences in excess stability report on the interactions among reactive intermediates at framework Ti atoms and the ethoxysilane and remaining silanol groups present. Furthermore, the in situ modification of these pore environments confers changes in the stability of reactive species in a manner that contradicts intuition when considering the initial state of the catalyst but can be reconciled after accounting for the formation of persistent alkoxy surface moieties in the pores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Kinetic Pathways to Diblock Copolymer Micelles via Thin Film Dissolution and Cosolvent Variation

We investigate how processing pathways control micelle formation during dissolution of lamellar diblock copolymers using dissipative particle dynamics (DPD) simulations and DPD-selfconsistent field theory (DPD-SCFT). Comparing thin film (TF) and cosolvent-assisted (CS) dissolution reveals fundamentally different micellization mechanisms and final states. In the TF pathway, dissolution proceeds through a metastable cylindrical intermediate that dictates final micelle dimensions. The lamellar melt first transforms into cylindrical micelles, which then fragment into spherical micelles. The final spherical radius is intrinsically linked to the cylinder radius by a constant ratio, Rsphere ≈ 1.4Rcylinder. DPD-SCFT confirms that both cylinders and spheres are near their equilibrium dimensions. In contrast, CS dissolution produces kinetically trapped micelles with sizes significantly below equilibrium. Micellization is hindered by high free energy barriers to single-chain exchange and fusion. Growth occurs primarily via fusion, but increasing corona repulsion suppresses further coarsening, preventing equilibration. These results demonstrate that, when starting from a bulk copolymer phase, the metastable cylindrical intermediate plays a central role in determining final micelle size.

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

GaAs Substrate Recycling Using in-situ Deposited NaCl Layers via Molecular Beam Epitaxy

This work presents an alternative method to conventional III-V substrate recycling methods via growth of NaCl on nearly-lattice matched GaAs (001) substrates. Reflection high energy electron diffraction and transmission electron microscopy confirm an epitaxial relationship between the NaCl layers and the underlying GaAs. If the sample is heated too much prior to GaAs deposition, the NaCl fully desorbs from the surface. The quality of the deposition of GaAs on NaCl ranges from amorphous at low temperature to polycrystalline at intermediate temperatures. Exposure to electron beams during growth results in larger and (001) textured grains. The substrate is separated from the GaAs film in seconds via submersion in water, revealing a substrate surface comparable to the original.

electron beams↗
DOE OSTI2020

Production of Biocrude in an Advanced Photobioreactor-Based Biorefinery

Algenol Biotech, the National Renewable Energy Laboratory (NREL), Georgia Institute of Technology, Arizona State University, and Reliance Industries formed a team to advance the state of the art in algal biomass production and downstream processing technologies, with the end goal of a sustainable, economically viable biofuel intermediate (BFI, biocrude) product. The project included examination of high value co-product production as a market entry strategy and for enhancing the economics of a biorefinery for BFI production. The project targeted innovations in biology, operations, and engineering. The goals of the project were: BFI productivity greater than 4,000 gal-BFI/acre-yr on an annualized basis; energy efficient innovations in downstream operations resulting in an energy expenditure less than 10% of the BFI energy content and a carbon footprint reduction of more than 60% compared to fossil alternatives; and a comprehensive Techno-Economic Analysis (TEA) that identifies limiting factors for commercial viability of a photobioreactor (PBR)-based biofuel product. The project achieved the overall objectives. Strain development efforts led to the identification of a strain (Cyanobacterium sp. AB1166) that, relative to the previous best strain (Cyanobacterium sp. AB1), exhibited a ~10% increase in productivity under commercially-relevant cultivation conditions and also resulted in cultures with a >50% reduction in viscosity such that harvesting efficiency was improved; these results represent achievement of key project milestones. Progress was also made at NREL in altering the biochemical composition of algal biomass to improve the yield of BFI produced via HTL. These strain enhancements coupled with improved outdoor cultivation practices, including semi-continuous operation, increased areal biomass productivity by nearly 80% over the established baseline productivity. The annualized productivity achieved (26.8 g/m2-d), paired with HTL conversion yields realized at NREL and RIL (38% ± 2% BFI), translates to 4,100 gal-BFI/acre-yr, exceeding the FY20 BETO goal of 3,700 gal-BFI/acre-yr. Significant progress was also demonstrated in large scale PBR-based production system design, operability, and cost reduction. A 24,000-L production module comprised of 240 interlinked PBRs was constructed and successfully operated outdoors for over one year in Fort Myers, Florida. Aided by a state-of-the-art productivity model, the productivities achieved convincingly demonstrated scalability of laboratory results determined at the mL to L scale to large-scale outdoor operations exceeding 20,000 L. The system was used to cultivate Arthrospira platensis (Spirulina), an industrially-relevant cyanobacterium and source for phycocyanin, an approved blue food colorant that Algenol is developing as a risk reduction strategy for future biofuel projects and as a potential business opportunity. A key project milestone to develop phycocyanin extraction and purification technologies was achieved ahead of schedule, and product samples received positive feedback from potential customers. The production and downstream operations data generated in this project were used to conduct and refine Techno-Economic and Life Cycle Assessments to provide research guidance for reducing the costs and environmental footprint of algal biofuel and co-product manufacturing plants. Several CO 2 supply scenarios for an algal biorefinery were identified as being capable of providing a large (>60%) reduction in carbon footprint in comparison to gasoline. The TEA assessments incorporated detailed comparisons of PBR versus open pond production systems, yielding a 3-fold higher areal productivity for PBRs and suggesting overall production cost parity for the two systems. The progress in this ABY2 project addressed many of the the barriers identified for the Advanced Algal Systems R&D Program and are directly relevant to achieving the established BETO goals associated with large scale biofuel production and cost reduction.

09 BIOMASS FUELS↗
DOE OSTI2022

Resolution Study of Thermonuclear Initiation in White Dwarf Tidal Disruption Events

Abstract We study the initiation of thermonuclear detonations in tidally disrupted white dwarf stars by intermediate-mass (10 3 M ⊙ ) black holes. The length scales required to resolve the initiation mechanism are not easily reached in 3D, so instead we have devised 2D proxy models, which, together with a logarithmic gridding strategy, can adequately capture detonation wave fronts as material undergoes simultaneous compression and stretching from tidal forces. We consider 0.15 and 0.6 M ⊙ white dwarf stars parameterized by tidal strengths in the range β = 4–23. High spatial resolution elucidates the manner and conditions leading to thermonuclear detonation, linking the initiation sequence to stellar composition and tidal strength. All of our models suffer sustained detonations triggered by a combination of adiabatic compression, mild thermonuclear preconditioning, and collisional heating, in degrees depending primarily on tidal strength. We find that many diagnostics, such as temperature, total released energy, and iron-group products, are fairly well converged (better than 10%) at resolutions below 10 km along the scale height of the orbital plane. The exceptions are intermediate-mass transients like calcium, which remain uncertain up to factors of 2, even at 1 km resolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Impacts of variable renewable energy on wholesale markets and generating assets in the United States: A review of expectations and evidence

Here, we synthesize available literature, data, and analysis on the degree to which growth in variable renewable energy (VRE) has impacted or might in the future impact bulk power system assets, pricing, and costs in the United States. Most studies of future scenarios indicate that VRE reduces wholesale energy prices and capacity factors of thermal generators. Traditional baseload generators are more exposed to these changing market conditions than low-capital cost and more flexible intermediate and peak-load generators. From analysis of historical data we find that VRE is already influencing the bulk power market through changes in temporal and geographic patterns areas with higher levels of VRE. The most significant observed impacts have concentrated in areas with significant VRE and/or nuclear generation along with limited transmission, with negative pricing also often occurring during periods with lower system-wide load. So far, however, VRE, has had a relatively modest impact on historical average annual wholesale prices across entire market regions, at least in comparison to other drivers. The reduction of natural gas prices is the primary contributor to the decline in wholesale prices since 2008. Similarly, VRE impacts on thermal plant retirements have been limited and there is little relationship between the location of recent retirements and VRE penetration levels. Finally, although impacts on wholesale prices have been modest so far, impacts of VRE on the electricity market will be more significant under higher VRE penetrations.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Ferroelectric HfO 2 and the importance of strain

Ferroelectric oxides based on HfO 2 show tremendous promise for the next generation of memory and logic devices. The ferroelectric polymorph is one of several that can be derived from the high symmetry cubic fluorite structure of HfO 2 . A single grain of HfO 2 may consist of a coherent mixture of multiple orientational and translational variants of different polymorphs. Here, we use symmetry-adapted strain-order parameters to elucidate the relationship between the different HfO 2 polymorphs and their symmetrically equivalent variants. We use first-principles electronic structure methods to identify minimum energy pathways and map them in subspaces of the symmetry-adapted strain order parameters. We next investigate the atomic structure of domain boundaries that separate coexisting variants of ferroelectric HfO 2 . Further, we rely on Gibbsian excess quantities and a precise specification of mechanical boundary conditions to describe the thermodynamic properties of domain boundaries. Our first-principles calculations show that the O and Hf shuffle arrangement within a domain boundary is closely related to the intermediate shuffle patterns of the homogeneous pathways between ferroelectric variants. Furthermore, the preferred structure within a boundary is very sensitive to local strain constraints imposed by the adjacent ferroelectric variants, leading to highly anisotropic domain boundary energies.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Directed gas phase preparation of ethynylallene (H 2 CCCHCCH; X 1 A') via the crossed molecular beam reaction of the methylidyne radical (CH; X 2 Π) with vinylacetylene (H 2 CCHCCH; X 1 A')

The gas-phase bimolecular reaction of the methylidyne (CH; X 2 Π) radical with vinylacetylene (H 2 CCHCCH; X 1 A') was conducted at a collision energy of 20.3 kJ mol –1 under single collision conditions exploiting the crossed molecular beam experimental results merged with ab initio electronic structure calculations and ab initio molecular dynamics (AIMD) simulations. The laboratory data reveal that the bimolecular reaction proceeds barrierlessly via indirect scattering dynamics through long-lived C 5 H 5 reaction intermediate(s) ultimately dissociating to C 5 H 4 isomers along with atomic hydrogen with the latter predominantly originating from the vinylacetylene reactant as confirmed by the isotopic substitution experiments in the D1-methylidyne–vinylacetylene reaction. Combined with ab initio calculations of the potential energy surface (PES) and statistical Rice–Ramsperger–Kassel–Marcus (RRKM) calculations, the experimental determined reaction energy of –146 ± 26 kJ mol –1 along with the distribution minimum of T(θ) at 90° and isotopic substitution experiments suggest ethynylallene (p1; ΔrG = –230 ± 4 kJ mol –1 ) as the dominant product. The ethynylallene (p1) may be formed with extensive rovibrational excitation, which would result in a lower maximum translational energy. Further, AIMD simulations reveal that the reaction dynamics leads to p1 (ethynylallene, 75%) plus atomic hydrogen with the dominant initial complex being i1 formed by methylidyne radical addition to the double C[double bond, length as m-dash]C bond in vinylacetylene. Altogether, combining the crossed molecular beam experimental results with ab initio electronic structure calculations and ab initio molecular dynamics (AIMD) simulations, ethynylallene (p1) is expected to represent the dominant product in the reaction of the methylidyne (CH; X 2 Π) radical with vinylacetylene (H 2 CCHCCH; X 1 A').

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Theoretical Investigation of the Adsorbate and Potential–Induced Stability of Cu Facets During Electrochemical CO 2 and CO Reduction

The activity and product selectivity of electrocatalysts for reactions like the carbon dioxide reduction reaction (CO 2 RR) are intimately dependent on the catalyst's structure and composition. While engineering catalytic surfaces can improve performance, discovering the key sets of rational design principles remains challenging due to limitations in modeling catalyst stability under operating conditions. Herein, we perform first-principles density functional calculations adopting implicit solvation methods with potential control to study the influence of adsorbates and applied potential on the stability of different facets of model Cu electrocatalysts. Using coverage dependencies extracted from microkinetic models, we describe an approach for calculating potential and adsorbate-dependent contributions to surface energies under reaction conditions, where Wulff constructions are used to understand the morphological evolution of Cu electrocatalysts under CO 2 RR conditions. Here we identify that CO*, a key reaction intermediate, exhibits higher kinetically and thermodynamically accessible coverages on (100) relative to (111) facets, which can translate into an increased relative stabilization of the (100) facet during CO 2 RR. Our results support the known tendency for increased (111) faceting of Cu nanoparticles under more reducing conditions and that the relative increase in (100) faceting observed under CO 2 RR conditions is likely attributed to differences in CO* coverage between these facets.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Type-I ELM mitigation by continuous lithium granule gravitational injection into the upper tungsten divertor in EAST

Large edge-localized modes (ELMs) were mitigated by gravitational injection of lithium granules into the upper X-point region of the experimental advanced superconducting tokamak (EAST) device with tungsten plasma-facing components. The maximum ELM size was reduced by ~70% in high β N H-mode plasmas. Large ELM stabilization was sustained for up to about 40 energy confinement times, with constant core radiated power and no evidence of high-Z or low-Z impurity accumulation. The lithium granules injection reduced the edge plasma pedestal density and temperature and their gradients, due to increased edge radiation and reduced recycling from the plasma-facing components. Ideal stability calculations using the ELITE code indicate that the stabilization of large ELMs correlates with improved stability of intermediate-n peeling-ballooning modes, due to reduced edge current resulting from the profile changes. The pedestal pressure reduction was partially offset by a core density increase, which resulted in a modest ~7% drop in core stored energy and normalized energy confinement time. We surmise that the remnant small ELMs are triggered by the penetration of multiple Li granules just past the separatrix, similar to small ELMs triggered by deuterium pellet Futatani et al (2014 Nucl. Fusion 54 073008). This study extends previous ELM elimination with Li powder injection Maingi et al (2018 Nucl. Fusion 58 024003) in EAST because (1) use of small, dust-like powder and the related potential health hazards were eliminated, and (2) use of macroscopic granules should be more applicable to future devices, due to deeper penetration than dust particles, e.g. inside the separatrix with velocities ~10 m s -1 in EAST.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Type-I ELM mitigation by continuous lithium granule gravitational injection into the upper tungsten divertor in EAST

Large edge-localized modes (ELMs) were mitigated by gravitational injection of lithium granules into the upper X-point region of the EAST device with tungsten plasma-facing components. The maximum ELM size was reduced by ~ 70% in high βN H-mode plasmas. Large ELM stabilization was sustained for up to about 40 energy confinement times, with constant core radiated power and no evidence of high-Z or low-Z impurity accumulation. The lithium granules injection reduced the edge plasma pedestal density and temperature and their gradients, due to increased edge radiation and reduced recycling from the plasma-facing components. Ideal stability calculations using the ELITE code indicate that the stabilization of large ELMs correlates with improved stability of intermediate-n peeling-ballooning modes, due to reduced edge current resulting from the profile changes. The pedestal pressure reduction was partially offset by a core density increase, which resulted in a modest ~ 7% drop in core stored energy and normalized energy confinement time. We surmise that the remnant small ELMs are triggered by the penetration of multiple Li granules just past the separatrix, similar to small ELMs triggered by deuterium pellet [S. Futatani et al., Nucl. Fusion 54 (2014) 073008]. This study extends previous ELM elimination with Li powder injection [R. Maingi et al., Nucl. Fusion 58 (2018) 024003] in EAST because 1) use of small, dust-like powder and the related potential health hazards were eliminated, and 2) use of macroscopic granules should be more applicable to future devices, due to deeper penetration than dust particles, e.g. inside the separatrix with velocities ~ 10 m/s in EAST.

EAST↗