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DOE OSTI2020

effect of ambient pressure on the behavior of single-component fuels in a gasoline multi-hole injector

The injection characteristics of neat ethanol and pure isooctane are studied under different ambient pressure and temperature conditions. Injection underflash-boiling conditions can enhance liquid atomization and evaporation, providing the possibility of improvement in the fuel/air mixing. These superheated conditions often introduce phenomena that are not taken into account in the standard modeling of sprays for engine applications. The present work proposes a numerical investigation of the behavior of Engine Combustion Network's 8-hole spray-G injector, starting at the subcooled nominal condition and reducing the ambient pressure at constant low temperature to reach the flare flash-boiling condition. To initialize the properties of the injected fuel, the flow in the nozzle is simulated with a Eulerian approach, handling the two phases with a mixture model and the phase change, due to cavitation and flash boiling, with the Homogenous Relaxation Model. A map of the mixture's kinematic and thermal behavior is obtained at the interface between the injector and the chamber to initialize the Lagrangian simulations. A literature-based vaporization model is implemented to obtain the proper description of the characteristic features of a multi-hole spray under super-heated conditions, like plume-plume interaction. The numerical representation of the spray is validated in terms of penetration and radial spreading on DBI images, reproducing the light attenuation profiles caused by the presence of the liquid spray. Simulations show that coupled nozzle flow and spray calculations capture the spray morphology and shape better compared to calculations performed without considering the nozzle flow simulation details, especially under flare flash conditions.

Nocivelli, Lorenzo↗

NASA NTRS1986

Ion-neutral coupling in the high latitude thermosphere, part 2

On the 24th November, 1982, The North-South (Bz) component of the Interplanetary Magnetic Field (IMF) became positive for a period of about 11 hours reaching a relatively large and steady value of approximately 25 nT. During this rare occurrence, the Dynamics Explorer-2 (DE-2) spacecraft was in a configuration that enabled the dynamics of both ionic and neutral species of the high latitude F region to be measured simultaneously along the track of the polar orbiting satellite. Results from two Northern (winter) polar passes of DE-2, extracted from a larger data set, are shown to illustrate the response of the neutral F region to ion drag forcing arising from a configuration of ion convection characteristics of strongly northward IMF. The measured neutral winds differ appreciably from those more commonly observed for periods of southward IMF. The multi-cellular ion drift pattern associated with positive Bz is observed to drive a similar but less structured and weaker neutral wind configuration in the winter polar cap. Major features of the ion drift pattern are mimicked by the neutral circulation but smaller scale and more irregular sturctures of ion flow are not. This is ascribed to the relatively long time constant (few hours) for momentum exchange between the ion and neutral gases. The results demonstrate that sunward flow of neutral gas can be established and maintained by ion drag in the central polar cap for positive Bz.

Killeen, T. L.↗

DOE OSTI2024

Design and Performance Evaluation of a Resistive Control Using a Hydraulic PTO System for the TALOS Wave Energy Converter

This study is focused on developing a numerical model to evaluate the performance of a hydraulic PTO system for the TALOS Wave Energy Converter. The WEC device is described and the architecture of the hydraulic PTO system is presented with detail. The WEC is modeled using WEC-Sim, and the PTO is modeled using the Simscape Fluids library from Simulink. The hydraulic PTO is based on a constant pressure configuration that is suitable for WEC passive control. The hydraulic system is composed by a set of rectifying valves and two hydraulic accumulators that reduce the stiffness of the system and also serve as energy storage devices. One of the advantages of this hydraulic PTO architecture is the possibility of controlling the electric generator to operate around the optimal efficiency operating point. The main components of the hydraulic PTO are off-the-shelf devices that are commercially available, which will facility a future deployment of the designed system. The design variables used for this study are the accumulator size, the maximum pressure in the accumulators, the hydraulic motor maximum displacement, and the shaft speed in the electric generator. The performance of the system is evaluated individually, using sinusoidal inputs that replicates regular wave conditions. In addition to this, the numerical model of the PTO is coupled to a WEC-Sim simulation of the TALOS Wave Energy Converter with six PTOs to generate a wave-to-wire model. The main objective of this work is to present a comprehensive design methodology that could serve as a guideline for future research efforts focused on implementing control algorithms on multi degree of freedom WECs.

hydraulic systems↗

DOE OSTI2026

Structured electrolytes facilitate Grotthuss-type transport for enhanced proton-coupled electron transfer reactions

Concentrated hydrogen-bonded electrolytes (CoHBEs) are structured, electrochemically stable, less-volatile alternatives to aqueous and dilute nonaqueous electrolytes, however, with high viscosities that limit molecular diffusion. This work provides an understanding of the proton conduction mechanism in CoHBEs based on mixtures of acids and azoles and establishes a link between the structurally dictated transport properties and the proton-coupled electron transfer (PCET) reaction rates that can be leveraged for enhancing electrochemical reactions. Diffusion and relaxation NMR studies suggest a breaking of the viscosity–conductivity tradeoff, where at high azole concentrations (>45 mol%), Grotthuss transport is more likely with lowered proton transfer energy barriers between the azole and the acid according to the machine learning (ML) accelerated ab initio path integral MD (AI-PIMD) simulations. Proton conduction pathways are found to be switchable between the hydrogen bonding networks of the acid and the azole, with imidazole chain forming structures better facilitating Grotthuss hopping. Supported by small-angle neutron scattering studies, the chains are found to have six member molecules on average with maximum of 3 to 4 imidazole/imidazoliums at 50 to 60 mol%. Despite their high viscosities, the measured PCET rates for quinones and phenazines measured in the protic CoHBEs present relatively high electron transfer rate constants (k 0 ~ 10 −4 cm/s), validated by rotating disc electrode and scanning electrochemical microscopy measurements. The results demonstrate that strategic tuning of hydrogen-bond donor–acceptor interactions enables the decoupling of proton transport and viscosity, thereby impacting PCET reactions.

electrokinetics↗

NASA NTRS1985

Viscoplasticity based on overstress with a differential growth law for the equilibrium stress

Two coupled, nonlinear differential equations are proposed for the modeling of the elastic and rate (time) dependent inelastic behavior of structural metals in the absence of recovery and aging. The structure of the model is close to the unified theories but contains essential differences. It is shown that the model reproduces almost elastic regions upon initial loading and in the unloading regions of the hysteresis loop. Under loading, unloading and reloading in strain control the model simulated the experimentally observed sharp transition from nearly elastic to inelastic behavior. When a formulation akin to existing unified theories is adopted the almost elastic regions reduce the points and the transition upon reloading is very gradual. For different formulations the behavior under sudden in(de)creases of the strain rate by two orders of magnitude is simulated by numerical experiments and differences are noted. The model represents cyclically neutral behavior and contains three constants and two positive, decreasing functions. The determination of constants and functions from monotonic loading with strain rate changes and relaxation periods is described.

Krempl, E.↗

NASA NTRS1986

Viscoplasticity based on overstress with a differential growth law for the equilibrium stress

Krempl, E.↗

NASA NTRS2013

A Waveguide-coupled Thermally-isolated Radiometric Source

The design and validation of a dual polarization source for waveguide-coupled millimeter and sub-millimeter wave cryogenic sensors is presented. The thermal source is a waveguide mounted absorbing conical dielectric taper. The absorber is thermally isolated with a kinematic suspension that allows the guide to be heat sunk to the lowest bath temperature of the cryogenic system. This approach enables the thermal emission from the metallic waveguide walls to be subdominant to that from the source. The use of low thermal conductivity Kevlar threads for the kinematic mount effectively decouples the absorber from the sensor cold stage. Hence, the absorber can be heated to significantly higher temperatures than the sensor with negligible conductive loading. The kinematic suspension provides high mechanical repeatability and reliability with thermal cycling. A 33-50 GHz blackbody source demonstrates an emissivity of 0.999 over the full waveguide band where the dominant deviation from unity arises from the waveguide ohmic loss. The observed thermal time constant of the source is 40 s when the absorber temperature is 15 K. The specific heat of the lossy dielectric MF-117 is well approximated by Cv(T) = 0.12 T(exp 2.06) mJ/g/K between 3.5 K and 15 K.

Rostem, Karwan↗

DOE OSTI2019

Developing AlMn Films for Argonne TES Fabrication

The reference design for the next-generation cosmic microwave background (CMB) experiment, CMB-S4, relies on large arrays of transition-edge sensor (TES) bolometers coupled to Superconducting Quantum Interference Device (SQUID)-based readout systems. Mapping the CMB to near cosmic variance limits will enable the search for signatures of inflation and constrain dark energy and neutrino physics. AlMn TESes provide simple film manufacturing and highly uniform arrays over large areas to meet the requirements of the CMB-S 4 experiment. TES parameters such as critical temperature and normal resistance must be tuned to experiment specifications and can be varied based on geometry and steps in the fabrication process such as deposition layering, geometry, and baking time and temperature. Using four-terminal sensing, we measured T C and R N of AlMn 2000 ppm films and devices of varying thicknesses fabricated at Argonne National Laboratory to motivate device geometries and fabrication processes to tune T C to 150–200 mK and R N to ~10 mΩ. Furthermore, measurements of IV curves and time constants for the resulting devices of varying leg length were made using time-division SQUID multiplexing and determined TC, G, k, f 3db , and RN. We present the results of these tests along with the geometries and fabrication steps used to tune the device parameters to the desired limits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Quantum real-time evolution of entanglement and hadronization in jet production: Lessons from the massive Schwinger model

The possible link between entanglement and thermalization, and the dynamics of hadronization are addressed by studying the real-time response of the massive Schwinger model coupled to external sources. This setup mimics the production and fragmentation of quark jets, as the Schwinger model and quantum chromodynamics (QCD) share the properties of confinement and chiral symmetry breaking. By using simulations of quantum dynamics on classical hardware, we study the entanglement between the produced jets, and observe the growth of the corresponding entanglement entropy in time. This growth arises from the increased number of contributing eigenstates of the reduced density matrix with sufficiently large and close eigenvalues. We also investigate the physical nature of these eigenstates, and find that at early times they correspond to fermionic Fock states. We then observe the transition from these fermionic Fock states to mesonlike bound states as a function of time. In other words, we observe how hadronization develops in real time. At late times, the local observables at midrapidity (such as the fermion density and the electric field) approach approximately constant values, suggesting the onset of equilibrium and approach to thermalization. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Structure and electronic properties of CaAl 12₋x Fe x O19 hibonites

Dilution of iron in the AM 12 O 19 has shown promising coupling of magnetic and electric properties in the hexaferrites. In this study, we have prepared samples of low iron content in the isostructural hibonite, CaAl 12 -x Fe x O 19 , to investigate the structural effects of larger iron substitution into the aluminum sites and the resultant properties. We found a solid solution exists for CaAl 12 -x Fe x O 19 where x ≤ 5 . 5. Iron distributes into all sites with the tetrahedral M3 and octahedral M5 sites displaying nominally larger preference at higher Fe content. Paramagnetic behavior was observed for x = 1-3, while x = 4-5.5 displayed a broad ferromagnetic-like transition with increasing Curie temperature. Differences in field-cooled and zero-field-cooled magnetic susceptibility measurements and low magnetic moment indicate the presence of a frustrated antiferromagnetic structure as the source of the ferromagnetic-like behavior. Increasing Fe content also increases the dielectric constant up to 21 at room temperature with high dielectric loss.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

The energetics of Titan's ionosphere

We have developed a comprehensive model to study the dynamics and energetics of the ionosphere of Titan. We solved the one-dimensional, time-dependent, coupled continuity and momentum equations for several ion species, together with single ion and electron energy equations, in order to calculate density, velocity, and temperature profiles. Calculations were carried out for several cases corresponding to different local times and configurations of the Titan-Saturn system. In our model the effects of horizontal magnetic fields were assumed to be negligible, except for their effect on reducing the electron and ion thermal conductivities and inhibiting vertical transport in the subram region. The ionospheric density peak was found to be at an altitude of about 1100 km, in accordance with earlier model calculations. The ionosphere is chemically controlled below an altitude of about 1500 km. Above this level, ion densities differ significantly from their chemical equilibrium values due to strong upward ion velocities. Heat is deposited in a narrow region around the ionospheric peak, resulting in temperature profiles increasing sharply and reaching nearly constant values of 800-1000 deg K for electrons and 300 deg K for ions in the topside, assuming conditions appropriate for the wake region. In the subram region magnetic correction factors make the electron heat conductivities negligible, resulting in electron temperatures increasing strongly with altitude and reaching values in the order of 5000 deg K at our upper boundary located at 2200 km. Ion chemical heating is found to play an important role in shaping the ion energy balance in Titan's ionosphere.

Roboz, A.↗

NASA NTRS2017

Characterization of Biological Fallout Particles of Cleanrooms to Measure Spacecraft Cleanliness

NASA cleanrooms are humidity, temperature-regulated, and particle contaminant-controlled environments used for spacecraft assembly. Microorganisms, which are crucial contaminants shed from humans and transported through the environment, can adapt to the oligotrophic cleanroom conditions. These biogenic particles need to be identified to extend our knowledge of biological contamination for future NASA mission use. Here, we devised an aluminum coupon with polycarbonate filter setup to collect fallout particles from an ISO 5 and an ISO 7 cleanroom. We demonstrated the presence of microbial particles, as standalone entities and associated with inert particles in cleanroom environments. The contamination was confirmed as biogenic in virtue of estimating the elemental composition of individual and aggregated particles using an epifluorescence and Field Emission Scanning Electron Microscopy (FESEM) coupled with an energy dispersive X-ray analysis (EDX). Epifluorescence microscopy showed that the particles were stained less (25%) with SYTO 9 and more (75%) with propidium iodide, suggesting that the suspected biogenic particles are membrane-compromised. Remarkably, biological particles such as bacteria and fungal spores/hyphae were observed at sizes ranging from 2 to 70 µm, with abundant C and O elemental signatures and essential tracers (Na, Mg, K, Ca and Cl). Inert particles (2 to 500 µm) that were characterized included compositions such as silica (SiO2), aluminosilicates (Al, Si), and carbonaceous fibers. Furthermore, we designed and illustrated a unique correlative epifluorescence and FE-SEM method to strengthen this approach by acquiring the same biogenic particles in the same filter coupon for a one-to-one comparison. Interestingly, the SYTO 9 stained particles showed abundant C and O elemental signature implying that they are viable microbial particles. Constant evaluation of cleanroom biological and inert particles will help to characterize biological contamination for future NASA missions (e.g. Mars 2020).

Malli Mohan, Ganesh Babu↗

DOE OSTI2022

Leafweb: Dataset in Support of Coupled Modeling of Photophysics, Photochemistry, and Biochemistry of Photosynthesis, December 2022 Release

This data set contains measurements of leaf gas exchange and Pulse-Amplitude Modulated (PAM) fluorometry of light, carbon dioxide (CO2), oxygen (O2), and temperature responses from 26 C3 photosynthetic and four C4 photosynthetic species measured by independent researchers in Canada, China, Finland, Netherlands, and United States in the field, garden, or greenhouse. Data were collected between 1987 and 2021, however data for individual species only provide coverage over a few hours to one year. Species include three lianas, three shrubs, two boreal deciduous trees, two boreal evergreen needle-leaf tree, three temperate deciduous trees, four tropical deciduous trees, three tropical evergreen trees, one C3 grass, three C4 grasses, and six crop varieties. These measurements are conducted according to standard protocols in gas exchange (Long and Bernacchi 2003) and PAM fluorometry (Baker 2008). The Scots pine (Pinus sylvestris) dataset contains one-year continuous fluorometry observations made at intervals of 10 or 30 minutes in the field under natural environments using Walz monitoring PAM. Measurements from all other 29 species include simultaneous PAM fluorometry and gas exchange observations. Among these 29 species, seven species were measured with light response curves only (i.e., light intensity varied systematically with ambient CO2 concentration controlled at a constant level, e.g., 400 ppm). All the other 22 species were measured with both the light response and CO2 response (i.e., ambient CO2 concentration varied systematically with light intensity controlled at a constant level, e.g., 1200 µmolm-2s-1). For most species, measurements were made with temperature controlled at ~ 25 degrees Celsius (C) with the exceptions of Scots pine (natural diurnal and seasonal variations), tomato cultivar Basket Vee (~ 21 degrees C), and cotton which contained temperature stress experiments (9 to 40 degrees C). All measurements were made at ambient O2 concentration except for the tomato cultivar Basket Vee and cotton which used two O2 levels (2 and 21%) and rice and tomato cultivar Growdena which used five O2 levels (2, 10, 21, 35, and 50%). This dataset supports the complete modeling of photosynthesis at the leaf scale, including photophysical, photochemical, and biochemical reactions. It will support research in the applications of remotely sensed solar induced chlorophyll fluorescence and the responses of energy dissipation pathways to environmental variations across species and climates. This dataset contains 260 data files in comma separate (.csv) format contained inside 11 compressed (*.zip) files. Additional metadata are provided: one data dictionary, a species information table, and a file-level metadata file in comma separate (.csv) format and a user guide in PDF (*.pdf) format.

air temperature↗

DOE OSTI2023

Seismoacoustic Explosion Yield and Depth Estimation: Insights from the Large Surface Explosion Coupling Experiment

The Large Surface Explosion Coupling Experiment (LSECE) is a chemical explosion experiment conducted in Yucca Flat at the Nevada National Security Site in 2020. The experiment included two surface detonations of ~1000 kg trinitrotoluene equivalent. The main goal of this experiment was to provide the ground-truth data for seismoacoustic wave excitation by large chemical explosions near the ground surface. The seismic and acoustic energy partitioning between the surface is strongly governed by the depth or height of explosions, and either seismic or acoustic-only analysis may have inherent ambiguity in determining explosion yield and depth simultaneously. Previous studies suggested that joint seismoacoustic analysis can resolve the trade-off and reduce the uncertainty of yield and depth estimation dramatically. Here we demonstrate the capability of seismoacoustic analysis to improve the accuracy of explosion yield and depth estimation with the LSECE data. Local acoustic wave propagation in the atmosphere can be substantially affected by constantly varying weather conditions. Consisting of two detonations before dawn and in the afternoon, LSECE provides unique data to evaluate the model accuracy of acoustic wave propagation and seismoacoustic energy partitioning depending on local atmospheric conditions. We quantitatively evaluate the accuracy of yield and depth estimation depending on atmospheric variability and the improvement achieved by the joint seismoacoustic approach.

58 GEOSCIENCES↗

NASA NTRS1993

On the spectral stability of time integration algorithms for a class of constrained dynamics problems

Incomplete field formulations have recently been the subject of intense research because of their potential in coupled analysis of independently modeled substructures, adaptive refinement, domain decomposition, and parallel processing. This paper discusses the design and analysis of time-integration algorithms for these formulations and emphasizes the treatment of their inter-subdomain constraint equations. These constraints are shown to introduce a destabilizing effect in the dynamic system that can be analyzed by investigating the behavior of the time-integration algorithm at infinite and zero frequencies. Three different approaches for constructing penalty-free unconditionally stable second-order accurate solution procedures for this class of hybrid formulations are presented, discussed and illustrated with numerical examples. The theoretical results presented in this paper also apply to a large family of nonlinear multibody dynamics formulations. Some of the algorithms outlined herein are important alternatives to the popular technique consisting of transforming differential/algebraic equations into ordinary differential equations via the introduction of a stabilization term that depends on arbitrary constants and that influences the computed so1ution.

Farhat, Charbel↗

NASA NTRS2007

Development of a Linear Stirling System Model with Varying Heat Inputs

The linear model of the Stirling system developed by NASA Glenn Research Center (GRC) has been extended to include a user-specified heat input. Previously developed linear models were limited to the Stirling convertor and electrical load. They represented the thermodynamic cycle with pressure factors that remained constant. The numerical values of the pressure factors were generated by linearizing GRC's nonlinear System Dynamic Model (SDM) of the convertor at a chosen operating point. The pressure factors were fixed for that operating point, thus, the model lost accuracy if a transition to a different operating point were simulated. Although the previous linear model was used in developing controllers that manipulated current, voltage, and piston position, it could not be used in the development of control algorithms that regulated hot-end temperature. This basic model was extended to include the thermal dynamics associated with a hot-end temperature that varies over time in response to external changes as well as to changes in the Stirling cycle. The linear model described herein includes not only dynamics of the piston, displacer, gas, and electrical circuit, but also the transient effects of the heater head thermal inertia. The linear version algebraically couples two separate linear dynamic models, one model of the Stirling convertor and one model of the thermal system, through the pressure factors. The thermal system model includes heat flow of heat transfer fluid, insulation loss, and temperature drops from the heat source to the Stirling convertor expansion space. The linear model was compared to a nonlinear model, and performance was very similar. The resulting linear model can be implemented in a variety of computing environments, and is suitable for analysis with classical and state space controls analysis techniques.

Regan, Timothy F.↗

DOE OSTI2025

ATR-SEIRAS Reveals Potential Inversion and Associated Electron Transfer Kinetics in the Reduction of Surface-Confined Anthraquinone

The detection of stable semiquinone radicals on an anthraquinone (AQ) layer chemically grafted to an electrode surface in aqueous electrolytes has been elucidated by using attenuated total reflection surface enhanced infrared absorption spectroscopy (ATR-SEIRAS). In very alkaline conditions (pH 13), the reduction of the AQ involves no proton transfer, but surface sensitive infrared spectroscopy reveals that the anthraquinone dianion forms a strong hydrogen bonding network with coadsorbed water, leading to irreversible features in the voltammetry. The potential dependence of the IR band assigned to the AQ radical is consistent with the enhanced hydrogen bonding network causing increased stabilization of the quinone radical and supports the predicted response of a system under mild potential inversion, whereby the formal potential for the reduction of the anthraquinone radical is positive of the reduction potential of the neutral AQ molecule. Time-resolved ATR-SEIRAS is used to measure the transient formation of the AQ •– radical, from which rate constant information can be extracted using the Butler–Volmer model involving two one-electron transfers without a direct disproportionation reaction. The potential dependence of the rate constants is consistent with the potential inversion and can be used to qualitatively simulate the measured cyclic voltammograms. In conclusion, the thermodynamic and kinetic analyses re-emphasize long established deficiencies associated with using one-electron reaction formalisms to characterize multi-electron systems.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗

NASA NTRS2007

Development of a Linear Stirling Model with Varying Heat Inputs

The linear model of the Stirling system developed by NASA Glenn Research Center (GRC) has been extended to include a user-specified heat input. Previously developed linear models were limited to the Stirling convertor and electrical load. They represented the thermodynamic cycle with pressure factors that remained constant. The numerical values of the pressure factors were generated by linearizing GRC s non-linear System Dynamic Model (SDM) of the convertor at a chosen operating point. The pressure factors were fixed for that operating point, thus, the model lost accuracy if a transition to a different operating point were simulated. Although the previous linear model was used in developing controllers that manipulated current, voltage, and piston position, it could not be used in the development of control algorithms that regulated hot-end temperature. This basic model was extended to include the thermal dynamics associated with a hot-end temperature that varies over time in response to external changes as well as to changes in the Stirling cycle. The linear model described herein includes not only dynamics of the piston, displacer, gas, and electrical circuit, but also the transient effects of the heater head thermal inertia. The linear version algebraically couples two separate linear dynamic models, one model of the Stirling convertor and one model of the thermal system, through the pressure factors. The thermal system model includes heat flow of heat transfer fluid, insulation loss, and temperature drops from the heat source to the Stirling convertor expansion space. The linear model was compared to a nonlinear model, and performance was very similar. The resulting linear model can be implemented in a variety of computing environments, and is suitable for analysis with classical and state space controls analysis techniques.

Regan, Timothy F.↗