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Results for “Yield function”

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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

Small scale wind perturbation analysis for vertically rising launch vehicles

This paper discusses the determination of small-scale vertical wind spectra used with space flight and ballistic technology. In particular, Jimsphere, a precision balloon wind sensor with high radar reflectivity is considered. Gross wind velocity data is analyzed to subtract the steady-state wind and wind change-shear effects. A residue of small wind perturbations is left in the horizontal (scalar) along the vertical direction. An analysis leading to formulation of the covariance function with altitude is presented. The function is decoupled to yield an almost periodic representation of the vertical wind perturbations. Forcing functions are determined when the representation is coupled with the vehicle velocity characteristics.

Chenoweth, H. B.↗
NASA NTRS1992

Orbit-determination performance of Doppler data for interplanetary cruise trajectories. Part 2: 8.4-GHz performance and data-weighting strategies

A consider error covariance analysis was performed in order to investigate the orbit-determination performance attainable using two-way (coherent) 8.4-GHz (X-band) Doppler data for two segments of the planned Mars Observer trajectory. The analysis includes the effects of the current level of calibration errors in tropospheric delay, ionospheric delay, and station locations, with particular emphasis placed on assessing the performance of several candidate elevation-dependent data-weighting functions. One weighting function was found that yields good performance for a variety of tracking geometries. This weighting function is simple and robust; it reduces the danger of error that might exist if an analyst had to select one of several different weighting functions that are highly sensitive to the exact choice of parameters and to the tracking geometry. Orbit-determination accuracy improvements that may be obtained through the use of calibration data derived from Global Positioning System (GPS) satellites also were investigated, and can be as much as a factor of three in some components of the spacecraft state vector. Assuming that both station-location errors and troposphere calibration errors are reduced simultaneously, the recommended data-weighting function need not be changed when GPS calibrations are incorporated in the orbit-determination process.

Ulvestad, J. S.↗
DOE OSTI2024

High Char Yield and Flowable Preceramic Resin Enabled with the Monomer Functionalized SiC Particle

Ceramic matrix composites (CMCs) are used in diverse high temperature applications; however, manufacturing CMCs is highly time consuming and costly. We address this challenge by introducing a methodology for fabricating CMCs using an innovative composite preceramic resin. This composite resin contains 40% mass loading of SiC particles, which are chemically functionalized with a resin monomer. The functionalization facilitates a homogenous dispersion of SiC particles within the resin matrix, resulting in high char yield (83.6%) and enhanced impregnation efficiency through reduced melt viscosity, ~10 Pa.s for relevant shear rates. This breakthrough represents a significant stride towards developing a more economically viable and efficient manufacturing process for CMCs.

14 SOLAR ENERGY↗
DOE OSTI2023

Measurements of J/ ψ Production vs. Event Multiplicity in Forward Rapidity in p + p Collisions in the PHENIX Experiment

J / Ψ, a charmonium bound state made of a charm and an anti-charm quark, was discovered in the 1970s and confirmed the quark model. Because the mass of charm quarks is significantly above the quantum chromodynamics (QCD) scale Λ QCD , charmonia are considered excellent probes to test perturbative quantum chromodynamics (pQCD) calculations. In recent decades, they have been studied extensively at different high-energy colliders. However, their production mechanisms, which involve multiple scales, are still not very well understood. Recently, in high-multiplicity p + p collisions at RHIC and at the LHC, a significant enhancement of J / Ψ production yield has been observed, which suggests a strong contribution of multi-parton interaction (MPI). This is different from the traditional pQCD picture, where charm quark pairs are produced from a single hard scattering between partons in p + p collisions. In this work, we will report the J / Ψ normalized production yield as a function of normalized charged particle multiplicity over a board range of rapidity and event multiplicity in the J / Ψ → μ + μ – channel with PHENIX Run 15 p + p data at $\sqrt s$ =200 GeV. The results are compared with PYTHIA 8 simulations with the MPI option turned on and off. Finally, the outlooks of J / Ψ in p + Au and Au + p collisions, along with color glass condensate (CGC) predictions and the multiplicity-dependent Ψ(2S) /J / Ψ ratio in p + p data, will be briefly discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1980

AgRISTARS: Yield model development/soil moisture. Interface control document

The interactions and support functions required between the crop Yield Model Development (YMD) Project and Soil Moisture (SM) Project are defined. The requirements for YMD support of SM and vice-versa are outlined. Specific tasks in support of these interfaces are defined for development of support functions.

Source record↗
DOE OSTI2018

Diffusion quantum Monte Carlo and density functional calculations of the structural stability of bilayer arsenene

We have studied the structural stability of monolayer and bilayer arsenene (As) in the buckled (b) and washboard (w) phases with diffusion quantum Monte Carlo (DMC) and density functional theory (DFT) calculations. DMC yields cohesive energies of 2.826(2) eV/atom for monolayer b-As and 2.792(3) eV/atom for w-As. In the case of bilayer As, DMC and DFT predict that AA-stacking is the more stable form of b-As, while AB is the most stable form of w-As. The DMC layer-layer binding energies for b-As-AA and w-As-AB are 30(1) and 53(1) meV/atom, respectively. The interlayer separations were estimated with DMC at 3.521(1) Å for b-As-AA and 3.145(1) Å for w-As-AB. A comparison of DMC and DFT results shows that the van der Waals density functional method yields energetic properties of arsenene close to DMC, while the DFT + D3 method closely reproduced the geometric properties from DMC. The electronic properties of monolayer and bilayer arsenene were explored with various DFT methods. The bandgap values vary significantly with the DFT method, but the results are generally qualitatively consistent. Finally, we expect the present work to be useful for future experiments attempting to prepare multilayer arsenene and for further development of DFT methods for weakly bonded systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Evaporative Assembly: Dual-Scale Nanostructures via Evaporative Assembly (Adv. Mater. Interfaces 7/2020)

In article number 1901954, Sunita Srivastava, Surita R. Bhatia, and co-workers demonstrate that evaporative assembly of functionalized nanoparticles can yield striking dual-scale hierarchical structures. Regular microscale stripes of nanoparticle monolayers with hexagonal nanoscale order are obtained on physically and chemically homogeneous substrates through evaporation of a suspension of DNAfunctionalized nanoparticles with a charged shell. The stripe width, spacing and nanoparticle ordering can be controlled by varying nanoparticle concentration and can be described by a simple analytical model. The results indicate that the interplay between “stick-slip” motion of the droplet contact line and Coulombic and steric nanoparticle interactions control the formation of the observed structures. Finally, this work demonstrates a simple cost-effective mask-free method for fabricating nanostructured 2D materials and metasurfaces for applications ranging from energy conversion/storage to optoelectronics and nanophotonics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Lossless Currents at High Temperatures

Is superconductivity necessary for zero-resistance currents? We investigate the possibility of designing wires with non-superconducting, but nevertheless dissipation-free current flow at room temperature. Guided by a set of constraints for states carrying currents in thermodynamic equilibrium, we suggest using quantum mechanical interference and collapse processes to produce devices that yield the desired function. Two proposals for such devices are presented as examples and their function is discussed also with respect to the second law of thermodynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Nonthermal hydrogen plasma-enabled ambient, fast lignin hydrogenolysis to valuable chemicals and bio-oils

The reduction of fossil fuel resources and the ongoing surge in global energy demand have captured the interest of researchers worldwide, prompting a focus on developing renewable energy sources. For this reason, biomass conversion has emerged as a crucial pathway for renewable fuel production. Lignin, constituting 10–35% of woody biomass, represents a significant and largely untapped sustainable feedstock. Despite the potential of lignin, a substantial portion of this lignocellulosic residue remains unused, with approximately 60% considered waste. This study addresses the challenge of underutilized lignin by introducing an innovative approach to its hydrogenolysis. Despite their potential, existing hydrogenolysis methods face obstacles such as complexity, high cost, and the need for high temperatures or pressures. Herein we report a noncatalytic nonthermal hydrogen plasma method for lignin hydrogenolysis, conducted under ambient temperature and pressure conditions. Our method proves to be highly effective in breaking lignin bonds, achieving complete conversion, and generating valuable gaseous and bio-oil products including methane and aromatic dimers and monomers obtained from guaiacyl and syringyl units within the lignin structure. Our results showed an increase in gaseous products, especially methane, and aromatic monomer yields, as well as a reduction in total bio-oil and biochar yields and lignin functional groups by increasing reaction time, input power, and H2 partial pressure. This research confirms the considerable promise of utilizing noncatalytic nonthermal hydrogen plasma-assisted hydrogenolysis as an effective technique for producing gaseous and liquid fuels from lignin.

Pishva, Parsa↗
DOE OSTI2022

Anion exchange and extraction chromatography tandem column isolation of zirconium-89 ( 89 Zr) from cyclotron bombarded targets using an automated fluidic platform

The long-lived positron emitter 89 Zr is a highly promising nuclide employed in diagnostic Positron Emission Tomography (PET) imaging. Methods of radiochemical processing to obtain 89 Zr for clinical use are traditionally performed with a single hydroxamate resin column. In this work, we present a tandem column purification method for the preparation of high-purity 89 Zr from cyclotron bombarded Y metal foils. The primary column is a macroporous, strongly basic anion exchange resin on styrene divinylbenzene co-polymer. The secondary microcolumn, with an internal volume of 33 µL, is packed with an extraction chromatography resin (ExCR) loaded with HDEHP. A condition of “inverted selectivity” is presented, wherein the 89 Zr elution from the primary column is synonymous with the load condition on the secondary column. The ability to transfer 89 Zr from one column to the next allows two sequential column clean-up methods to be performed prior to the final elution of the 89 Zr product. This approach assures delivery of very high purity 89 Zr . The tandem column purification process has been implemented into a prototype automated fluidic system. Optimization of the method is presented, followed by evaluation of the process using seven cyclotron bombarded Y metal foil targets. Once optimized, we found that 93.7±2.3% of the 89 Zr present in the foils was recovered in the secondary column elution fraction (0.8 M oxalic acid). Radiochromatograms of the product elution peaks enabled determination of full width at half-maximum (FWHM) and 89 Zr collection yields as a function of volume. Because of the small size of the secondary microcolumn, a 89 Zr product volume of ~0.28 mL is reported, which provides a substantially increased nuclide concentration over traditional methods. Finally, we evaluated the transchelation of the resulting 89 Zr oxalate product to deferoxamine mesylate (DFOM) salt. We observed effective specific activities (ESA) and bindable metals concentrations ([M B ]) that exceed those reported by the traditional single hydroxamate column method.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Commissioning a time-gated camera for fast neutron beamline spatial-energy characterization at LANSCE-WNR spallation source

An energy-resolved fast neutron beam imaging diagnostic has been successfully commissioned at the Weapons Neutron Research (WNR) spallation source within the Los Alamos Neutron Science Center (LANSCE) facility. This diagnostic replaces the existing analog phosphor image plates, which integrate across all neutron energies, as well as other particles, with a near-real-time energy-sensitive imaging capability. The system uses a fast plastic scintillator coupled with an intensified CCD camera. Specifically, the Teledyne Pi-MAX4 camera is coupled with either a 4 mm thick Eljen (EJ) 204 or 228 plastic scintillator. These scintillators are most sensitive to the fast neutrons (0.8-800 MeV) directly from the spallation source rather than low energy background radiation. Experimentally, these plastic scintillators were shown to have sufficiently fast decay to differentiate the bright gamma flash from the spallation neutrons. The spatial resolution is dominated by neutron beam divergence, with minimal additional contributions from scatter and light divergence. The system successfully resolved changes in neutron beam characteristics caused by intentional proton steering variations. Additionally, simulations of scintillator light yield as a function of thickness conducted using PHITS (with Scinful-QMD package) found that increasing scintillator thickness from 4 mm to 6 or 8 mm could potentially increase brightness ~ 3x. This may be explored if there is a need to reduce image acquisition time from several minutes to under one minute.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

A 17 O paramagnetic NMR study of Sm 2 O 3 , Eu 2 O 3 , and Sm/Eu-substituted CeO 2

We report that paramagnetic solid-state NMR of lanthanide ( Ln ) containing materials can be challenging due to the high electron spin states possible for the Ln ƒ electrons, which result in large paramagnetic shifts, and these difficulties are compounded for 17 O due to the low natural abundance and quadrupolar character. In this work, we present examples of 17 O NMR experiments for lanthanide oxides and strategies to overcome these difficulties. In particular, we record and assign the 17 O NMR spectra of monoclinic Sm 2 O 3 and Eu 2 O 3 for the first time, as well as performing density functional theory (DFT) calculations to gain further insight into the spectra. The temperature dependence of the Sm 3+ and Eu 3+ magnetic susceptibilities are investigated by measuring the 17 O shift of the cubic sesquioxides over a wide temperature range, which reveal non-Curie temperature dependence due to the presence of low-lying electronic states. This behaviour is reproduced by calculating the electron spin as a function of temperature, yielding shifts which agree well with the experimental values. Using the understanding of the magnetic behaviour gained from the sesquioxides, we then explore the local oxygen environments in 15 at% Sm- and Eu-substituted CeO 2 , with the 17 O NMR spectrum exhibiting signals due to environments with zero, one and two nearest neighbour Ln ions, as well as further splitting due to oxygen vacancies. Finally, we extract an activation energy for oxygen vacancy motion in these systems of 0.35 ± 0.02 eV from the Arrhenius temperature dependence of the 17 O T1 relaxation constants, which is found to be independent of the Ln ion within error. Finally, the relation of this activation energy to literature values for oxygen diffusion in Ln -substituted CeO 2 is discussed to infer mechanistic information which can be applied to further develop these materials as solid-state oxide-ion conductors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of Temperature on the Pilot-Scale Catalytic Pyrolysis of Loblolly Pine

A pilot-scale biomass catalytic pyrolysis unit with a nominal throughput of one tonne of biomass per day (1TPD) has been in operation since 2013 to investigate the process parameters that have the largest influence on biocrude yield, oxygen content, and chemical composition. A parametric study was conducted to investigate the effect of pyrolysis temperature, ranging from 433 to 581 °C, on biocrude yield and quality. A locally sourced loblolly pine feedstock and a commercially available, spray dried, nonzeolitic γ-Al 2 O 3 catalyst were used in individual experiments conducted at each pyrolysis temperature to achieve a minimum of 4 h of steady-state continuous operation. Typically, 600–800 kg of biomass was fed over a 12-h period, with one experiment extended to almost 29 h (1144-kg biomass fed) and one experiment interrupted by a process upset after just 7 h (411-kg biomass fed). Comprehensive analysis of collected gas, liquid, and solid products were used to calculate carbon balances (77% to 107%) for each experiment. The biocrude yield ranged from 12 to 18 wt % C and, in general, decreased with increasing pyrolysis temperature. The average steady-state biocrude yield as a function of temperature translated to a biocrude production rate between 40 and 50 gallons per dry ton. The biocrude oxygen content varied between 21 and 31 wt %, on a dry basis, and as expected, decreased with increasing pyrolysis temperature. The identified components in the semivolatile biocrude products are mostly methoxyphenols and other multiphenolic compounds. The multiphenolic compounds are demethoxylated at pyrolysis temperatures above 500 °C, producing biocrudes with higher concentrations of monophenols and polycyclic aromatic hydrocarbons. The concentration of anhydrosugars, like levoglucosan in the biocrudes, decreased with increasing pyrolysis temperature from ∼15 to ∼1 vol %.

biofuels↗
DOE OSTI2020

Quantum Accurate Prediction of Plutonium–Plutonium Dihydride Phase Equilibrium Using a Lattice Gas Model

Plutonium-based materials are vital for use as nuclear fuels and as portable power sources for space vehicles. However, elucidating their sensitivity to hydriding corrosion represents an extreme challenge because of the toxicity of Pu as well as their anomalous magnetic properties. In this work, we develop a lattice gas model of plutonium–plutonium dihydride (Pu–PuH 2 ) phase equilibrium that retains the accuracy of density functional theory, while yielding many orders of magnitude improvement in computational efficiency. Using Monte Carlo and free-energy sampling algorithms, we compute a number of Pu–PuH 2 equilibrium properties that are difficult to probe experimentally, including equilibrium pressures and phase compositions and the PuH 2 heat of formation. In conclusion, our method will have particular impact on these types of materials studies, where there is a strong need for computationally efficient approaches to bridge time and length scale gaps between quantum calculations and experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Enhanced Selectivity for C 2 H 4 Production from C 2 H 6 on Partially Chlorinated IrO 2 (110) Surfaces

Modifying metal oxide surfaces to limit their oxidizing activity can provide a means of improving catalytic selectivity toward the partial oxidation of light alkanes. Here, in this study, we investigated the oxidation of C 2 H 6 on Cl-modified IrO 2 (110) surfaces using temperature-programmed reaction spectroscopy (TPRS) and first-principles microkinetic modeling. We find that substituting Cl for O in the IrO 2 (110) surface enhances the selectivity for C 2 H 6 conversion to C 2 H 4 during TPRS by suppressing extensive oxidation to CO x products, while also either enhancing C 2 H 4 production or altering it to a lesser extent, depending on the initial C 2 H 6 coverage. The C 2 H 4 selectivity increased with increasing C 2 H 6 and Cl coverage, but reached a limiting value below 50%. The Cl coverage changed negligibly during C 2 H 6 oxidation, and the surface reactivity decreased only marginally for Cl coverages up to 0.5 ML (monolayer). TPRS simulations using a microkinetic model predict C 2 H 4 and CO x product yields as a function of the Cl coverage that agree closely with the experimental results. According to the simulations, C 2 H 6 conversion to C 2 H 4 occurs on Cl-IrO 2 (110) by the hydrogenation of C 2 H 3 * species adsorbed in blocked states, in which neighboring sites are occupied only by unreactive HO and Cl species. The microkinetic modeling shows that H-hopping away from surface HO groups provides a relatively efficient route for C 2 H 3 * to escape blocked configurations and dehydrogenate, and that this process can limit the C 2 H 4 selectivity on Cl-IrO 2 (110) under the conditions studied. Overall, our results demonstrate that Cl-substitution into IrO 2 (110) enhances the selectivity for C 2 H 4 production from C 2 H 6 and provides insights into the reaction mechanism that can guide strategies to further improve the C 2 H 4 selectivity.

IrO2↗
DOE OSTI2023

Symmetry-Breaking Dendrimer Synthons in Colloidal Crystal Engineering with DNA

Breaking symmetry in colloidal crystals is challenging due to the inherent chemical and structural isotropy of many nanoscale building blocks. If a non-particle component could be used to anisotropically encode such building blocks with orthogonal recognition properties, one could expand the scope of structural and compositional possibilities of colloidal crystals beyond what is thus far possible with purely particle-based systems. In this work, we report the synthesis and characterization of novel DNA dendrimers that function as symmetry-breaking synthons, capable of programming anisotropic and orthogonal interactions within colloidal crystals. When the DNA dendrimers have identical sticky ends, they hybridize with DNA-functionalized nanoparticles to yield three distinct colloidal crystals, dictated by dendrimer size, including a structure not previously reported in the field of colloidal crystal engineering, Si 2 Sr. When used as symmetry-breaking synthons (when the sticky ends deliberately consist of orthogonal sequences), the synthesis of binary and ternary colloidal alloys with structures that can only be realized through directional interactions is possible. Furthermore, by modulating the extent of shape anisotropy within the DNA dendrimers, the local distribution of the nanoparticles within the crystals can be directed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Holographic codes from hyperinvariant tensor networks

Holographic quantum-error correcting codes are models of bulk/boundary dualities such as the anti-de Sitter/conformal field theory (AdS/CFT) correspondence, where a higher-dimensional bulk geometry is associated with the code’s logical degrees of freedom. Previous discrete holographic codes based on tensor networks have reproduced the general code properties expected from continuum AdS/CFT, such as complementary recovery. However, the boundary states of such tensor networks typically do not exhibit the expected correlation functions of CFT boundary states. In this work, we show that a new class of exact holographic codes, extending the previously proposed hyperinvariant tensor networks into quantum codes, produce the correct boundary correlation functions. This approach yields a dictionary between logical states in the bulk and the critical renormalization group flow of boundary states. Furthermore, these codes exhibit a state-dependent breakdown of complementary recovery as expected from AdS/CFT under small quantum gravity corrections.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Au 3 -to-Ag 3 coordinate-covalent bonding and other supramolecular interactions with covalent bonding strength

An efficient strategy for designing charge-transfer complexes using coinage metal cyclic trinuclear complexes (CTCs) is described herein. Due to opposite quadrupolar electrostatic contributions from metal ions and ligand substituents, [Au(m-Pz-(i-C 3 H7) 2 )] 3 ∙[Ag(m-Tz-(n-C 3 F 7 ) 2 )] 3 (Pz = pyrazolate, Tz = triazolate) has been obtained and its structure verified by single crystal X-ray diffraction – representing the 1st crystallographically-verified M 3 @M' 3 stacked adduct of monovalent coinage metal CTCs. Abundant supramolecular interactions with aggregate covalent bonding strength arise from a combination of M–M' (Au / Ag), metal–π, π–π interactions and hydrogen bonding in this charge-transfer complex, according to density functional theory analyses, yielding a computed binding energy of 66 kcal mol -1 between the two trimer moieties – a large value for intermolecular interactions between adjacent d 10 centres (nearly doubling the value for a recently claimed Au(I) / Cu(I) polar-covalent bond: Proc. Natl. Acad. Sci. U.S.A., 2017, 114, E5042) – which becomes 87 kcal mol -1 with benzene stacking. Surprisingly, DFT analysis suggests that: (a) some other literature precedents should have attained a stacked M 3 @M' 3 product akin to the one herein, with similar or even higher binding energy; and (b) a high overall intertrimer bonding energy by inferior electrostatic assistance, underscoring genuine orbital overlap between M and M' frontier molecular orbitals in such polar-covalent M–M' bonds in this family of molecules. The Au / Ag bonding is reminiscent of classical Werner-type coordinate-covalent bonds such as H 3 N: → Ag in [Ag(NH 3 ) 2 ] + , as demonstrated herein quantitatively. Solidstate and molecular modeling illustrate electron flow from the p-basic gold trimer to the p-acidic silver trimer with augmented contributions from ligand-to-ligand’ (LL'CT) and metal-to-ligand (MLCT) charge transfer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗