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Results for “Conditional rate functions”

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 235 records · Page 13

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NASA NTRS1972

Breathing metabolic simulator

The development of a breathing metabolic simulator (BMS) is reported. This BMS simulates all of the breathing and metabolic parameters required for complete evaluation and test of life support and resuscitation equipment. It is also useful for calibrating and validating mechanical and gaseous pulmonary function test procedures. Breathing rate, breathing depth, breath velocity contour, oxygen uptake, and carbon dioxide release are all variable over wide ranges simulating conditions from sleep to hard work with respiratory exchange ratios covering the range from hypoventilation. In addition, all of these parameters are remotely controllable to facilitate use of the device in hostile or remote environments. The exhaled breath is also maintained at body temperature and a high humidity. The simulation is accurate to the extent of having a variable functional residual capacity independent of other parameters.

Bartlett, R. G.↗

DOE OSTI2016

Inference of reaction rate parameters based on summary statistics from experiments

Here, we present the results of an application of Bayesian inference and maximum entropy methods for the estimation of the joint probability density for the Arrhenius rate para meters of the rate coefficient of the H 2 /O 2 -mechanism chain branching reaction H + O 2 → OH + O. Available published data is in the form of summary statistics in terms of nominal values and error bars of the rate coefficient of this reaction at a number of temperature values obtained from shock-tube experiments. Our approach relies on generating data, in this case OH concentration profiles, consistent with the given summary statistics, using Approximate Bayesian Computation methods and a Markov Chain Monte Carlo procedure. The approach permits the forward propagation of parametric uncertainty through the computational model in a manner that is consistent with the published statistics. A consensus joint posterior on the parameters is obtained by pooling the posterior parameter densities given each consistent data set. To expedite this process, we construct efficient surrogates for the OH concentration using a combination of Pad'e and polynomial approximants. These surrogate models adequately represent forward model observables and their dependence on input parameters and are computationally efficient to allow their use in the Bayesian inference procedure. We also utilize Gauss-Hermite quadrature with Gaussian proposal probability density functions for moment computation resulting in orders of magnitude speedup in data likelihood evaluation. Despite the strong non-linearity in the model, the consistent data sets all res ult in nearly Gaussian conditional parameter probability density functions. The technique also accounts for nuisance parameters in the form of Arrhenius parameters of other rate coefficients with prescribed uncertainty. The resulting pooled parameter probability density function is propagated through stoichiometric hydrogen-air auto-ignition computations to illustrate the need to account for correlation among the Arrhenius rate parameters of one reaction and across rate parameters of different reactions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Mass transfer coefficients, kL, and air-CO2 ingassing rates in 3.4 m2 and 1-acre raceway ponds.

The US DOE 2016 Billion Ton Update (Langholtz 2016) projected that CO2 in flue-gas from power plants or similar sources would limit U.S. algal biofuel potential to under 5 billion gallons gasoline equivalent (gge) per year, due to lack of sufficient land, water and other requirements near such flue gas sources. 2nd generation carbon capture technologies are proposed to overcome this constraint (Davis 2017), and could expand this resource potential nearly 10-fold, assuming CO2 costs near the future, 2025 DOE NETL, goal of $40/metric ton CO2. An alternative pathway is the direct uptake of air CO2 into the algal ponds through an increase in the air-CO2 transfer rate resulting from the reaction of CO2 with hydroxide ions. However, such a ‘chemical enhancement’ in mass transfer depends on a high pH in the culture, and, by extension, the ability of microalgae to maintain high rates of carbon assimilation under such conditions. Abiotic experiments characterized the air-CO2 mass-transfer rate in 1-acre and 3.4 m2 raceway ponds as a function of pH, with rates approaching 10 g C/m2-day at pH 12 in the brackish water tested, equivalent to a biomass productivity potential of near 20 g AFDW/m2-day (@ 0.47 g C/g AFDW). The mass transfer rate was found to be nearly independent of the mass-transfer coefficient, indicating that at turbulence levels achievable in typical raceway ponds, the system is reaction rate, rather than diffusion limited. In biotic trials with an unknown green microalga, biomass productivity in ponds receiving CO2 from only direct surface air-CO2 exchange averaged 5 +/- 0.5 g AFDW/m2-day in August - September central California conditions, about half-that of experimental controls fertilized with supplemental CO2. pH in the air-only treatment reached a maximum of 10.5, supporting a model predicted air-CO2 ingassing rate between 2-3 g C/m2-day, consistent with the observed biomass carbon assimilation rate. Results suggest that unique alkaliphilic strains are required if reliant on direct in-pond air-CO2 transfer for algal inorganic carbon supply, and that reaching an economically viable biomass productivity will require strains that thrive at pH 11 and above.

09 BIOMASS FUELS↗

NASA NTRS1991

Calculations of transmission functions in the infrared CO2 and O3 bands

An efficient method for computing the transmission function in the 15-micron CO2 and the 9.6-micron O3 bands is presented. An inhomogeneous atmospheric path is treated as homogeneous by applying simple pressure and temperature scaling approximations. The transmission functions are then derived from small precomputed tables. Because the atmospheric cooling rate is primarily contributed from adjacent layers, the simple scaling approximations can be used to accurately compute transmission functions in both the middle and lower atmosphere. Applying the parameterization to vastly different atmospheric conditions, the difference with line-by-line calculations is small. In the region between 0.01 mbar and the earth's surface, the cooling rate difference is less than 0.3 C/d in the 15-micron CO2 band and less than 0.1 C/d in the 9.6-micron O3 band.

Chou, Ming-Dah↗

DOE OSTI2015

Stellar and gas dynamical model for tidal disruption events in a quiescent galaxy

A detailed model of the tidal disruption events (TDEs) has been constructed using stellar dynamical and gas dynamical inputs that include black hole (BH) mass M{sub •}, specific orbital energy E and angular momentum J, star mass M{sub ⋆} and radius R{sub ⋆,} and the pericenter of the star orbit r{sub p}(E, J, M{sub •}). We solved the steady state Fokker–Planck equation using the standard loss cone theory for the galactic density profile ρ (r) ∝ r{sup −γ} and stellar mass function ξ(m) where m = M{sub ⋆}/M{sub ⊙} and obtained the feeding rate of stars to the BH integrated over the phase space as N-dot {sub t}∝M{sub ∙}{sup β}, where β=−0.3±0.01 for M{sub •} > 10{sup 7}M{sub ⊙} and ∼6.8 × 10{sup −5} Yr{sup −1} for γ = 0.7. We use this to model the in-fall rate of the disrupted debris, M-dot (E,J,m,t), and discuss the conditions for the disk formation, finding that the accretion disk is almost always formed for the fiduciary range of the physical parameters. We also find the conditions under which the disk formed from the tidal debris of a given star with a super Eddington accretion phase. We have simulated the light curve profiles in the relevant optical g band and soft X-rays for both super and sub-Eddington accretion disks as a function of M-dot (E,J,t). Using this, standard cosmological parameters, and mission instrument details, we predict the detectable TDE rates for various forthcoming surveys as a function of γ.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Achieving industrial ammonia synthesis rates at near-ambient conditions through modified scaling relations on a confined dual site

The production of ammonia through the Haber–Bosch process is regarded as one of the most important inventions of the 20th century. Despite significant efforts in optimizing the process, it still consumes 1 to 2% of the worldwide annual energy for the high working temperatures and pressures. The design of a catalyst with a high activity at milder conditions represents another challenge for this reaction. Herein, we combine density functional theory and microkinetic modeling to illustrate a strategy to facilitate low-temperature and -pressure ammonia synthesis through modified energy-scaling relationships using a confined dual site. Our results suggest that an ammonia synthesis rate two to three orders of magnitude higher than the commercial Ru catalyst can be achieved under the same reaction conditions with the introduction of confinement. Such strategies will open pathways for the development of catalysts for the Haber–Bosch process that can operate at milder conditions and present more economically viable alternatives to current industrial solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Supramolecular Arene‐Perfluoroarene Assembly Enhances Photoiniferter Polymerization Kinetics

Ultra-high-molecular-weight (UHMW, >106 Da) polymers have unique thermomechanical properties due to their large number of physical entanglements. Producing UHMW styrenic polymers is challenging because of their prohibitively slow homopolymerization kinetics. In this report, we show that alternating photoiniferter copolymerization between methoxy-functionalized styrenic monomers and pentafluorostyrene can circumvent this limitation under conditions where arene–perfluoroarene (AP) interactions contribute to favorable monomer association and accelerate copolymerization. Increasing methoxy substitution on the styrene arene ring leads to pronounced rate enhancements that correlate with electronic complementarity between the styrenic comonomers. Density functional theory calculations reveal increasingly favorable AP interaction energies across the series, consistent with monomer association contributing to faster propagation. The result is up to 2000% enhancement in propagation rate in copolymerizations compared to styrene homopolymerization. Despite these rate enhancements, the resulting materials retain broadly similar glass-transition temperatures and network-like thermomechanical behavior, with only modest softening across the series. Here, we then leverage the approach to produce UHMW trialkoxystyrene copolymers bearing sterically encumbered pendants, which are ultrasoft (Young's modulus of 8 kPa) and highly extensible (560%). These results establish that designed supramolecular association between styrenics is a powerful tool for controlling reactivity in radical polymerization and generating otherwise difficult-to-obtain materials.

Marquez, Joshua D. [University of Florida, Gainesv↗

DOE OSTI2018

Microstructural Characterization and High Strain Rate Plastic Flow Behavior of SMAW Armox500T Steel Joints from Spherical Indentation Experiments

Static indentation and uniaxial compression tests have been conducted on Armox500T steel and its weldments to predict the constraint factor (CF), i.e., ratio of Meyer’s hardness to uniaxial flow stress. Series of dynamic indentation experiments were carried out at impact velocities ranging from 5 to 300 m/s to estimate dynamic hardness as a function of average strain. Subsequently, dynamic indentation (DI) test data and CF determined under static indentation conditions have been used to study the high strain rate plastic flow behavior of Armox500T weldments in comparison with the base metal. It was observed that flow stress for Armox500T and its weldments under dynamic loading conditions (10{sup 4} s{sup −1}) are significantly higher than flow stress measured under static loading conditions (10{sup −3} s{sup −1}). The plastic flow behavior computed from DI is in good agreement with the data evaluated through conventional split Hopkinson pressure bar technique. Further, the study of the microstructure of base metal and weldments by optical microscopy and SEM revealed a considerable variation in the microstructure.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Reduced order modeling of mechanical degradation induced performance decay in lithium-ion battery porous electrodes

In this paper, a one-dimensional computational framework is developed that can solve for the evolution of voltage and current in a lithium-ion battery electrode under different operating conditions. A reduced order model is specifically constructed to predict the growth of mechanical degradation within the active particles of the carbon anode as a function of particle size and C-rate. Using an effective diffusivity relation, the impact of microcracks on the diffusivity of the active particles has been captured. Reduction in capacity due to formation of microcracks within the negative electrode under different operating conditions (constant current discharge and constant current constant voltage charge) has been investigated. At the beginning of constant current discharge, mechanical damage to electrode particles predominantly occurs near the separator. As the reaction front shifts, mechanical damage spreads across the thickness of the negative electrode and becomes relatively uniform under multiple discharge/charge cycles. Mechanical degradation under different drive cycle conditions has been explored. It is observed that electrodes with larger particle sizes are prone to capacity fade due to microcrack formation. Finally, under drive cycle conditions, small particles close to the separator and large particles close to the current collector can help in reducing the capacity fade due to mechanical degradation.

25 ENERGY STORAGE↗

DOE OSTI2024

Unraveling the adsorption-limited hydrogen oxidation reaction at palladium surface via in situ electron microscopy

Palladium (Pd) catalysts have been extensively studied for the direct synthesis of H 2 O through the hydrogen oxidation reaction at ambient conditions. This heterogeneous catalytic reaction not only holds considerable practical significance but also serves as a classical model for investigating fundamental mechanisms, including adsorption and reactions between adsorbates. Nonetheless, the governing mechanisms and kinetics of its intermediate reaction stages under varying gas conditions remain elusive. This is attributed to the intricate interplay between adsorption, atomic diffusion, and concurrent phase transformation of catalyst. Herein, the Pd-catalyzed, water-forming hydrogen oxidation is studied in situ, to investigate intermediate reaction stages via gas cell transmission electron microscopy. The dynamic behaviors of water generation, associated with reversible palladium hydride formation, are captured in real time with a nanoscale spatial resolution. Our findings suggest that the hydrogen oxidation rate catalyzed by Pd is significantly affected by the sequence in which gases are introduced. Through direct evidence of electron diffraction and density functional theory calculation, we demonstrate that the hydrogen oxidation rate is limited by precursors’ adsorption. These nanoscale insights help identify the optimal reaction conditions for Pd-catalyzed hydrogen oxidation, which has substantial implications for water production technologies. The developed understanding also advocates a broader exploration of analogous mechanisms in other metal-catalyzed reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2001

Dynamic regulation of heart rate during acute hypotension: new insight into baroreflex function

To examine the dynamic properties of baroreflex function, we measured beat-to-beat changes in arterial blood pressure (ABP) and heart rate (HR) during acute hypotension induced by thigh cuff deflation in 10 healthy subjects under supine resting conditions and during progressive lower body negative pressure (LBNP). The quantitative, temporal relationship between ABP and HR was fitted by a second-order autoregressive (AR) model. The frequency response was evaluated by transfer function analysis. Results: HR changes during acute hypotension appear to be controlled by an ABP error signal between baseline and induced hypotension. The quantitative relationship between changes in ABP and HR is characterized by a second-order AR model with a pure time delay of 0.75 s containing low-pass filter properties. During LBNP, the change in HR/change in ABP during induced hypotension significantly decreased, as did the numerator coefficients of the AR model and transfer function gain. Conclusions: 1) Beat-to-beat HR responses to dynamic changes in ABP may be controlled by an error signal rather than directional changes in pressure, suggesting a "set point" mechanism in short-term ABP control. 2) The quantitative relationship between dynamic changes in ABP and HR can be described by a second-order AR model with a pure time delay. 3) The ability of the baroreflex to evoke a HR response to transient changes in pressure was reduced during LBNP, which was due primarily to a reduction of the static gain of the baroreflex.

Clinical Trial↗

DOE OSTI2025

Relative phase stability of L1 2 and DO 22 /DO 23 structures in Al 3 Nb, Al 3 Zr and Al 3 V compounds

The relative stability of the different tri-aluminide (Al 3 M) phases in three binary systems (M = Zr, Nb and V) was assessed for their potential to form fine cubic L1 2 precipitates in additively manufactured alloys. Supersaturated thin films of Al-(8–30) at% M were sputtered and heat treated during in-situ x-ray diffraction (XRD) measurements to observe the temperature ranges of stability for each phase. As-sputtered films were then processed with laser tracks simulating additive manufacturing solidification conditions, and the formation of phases in the laser tracks was correlated with density functional theory (DFT) and nucleation rate calculations. We found that the metastable L1 2 structure is highly competitive with the stable DO 23 structure in the Al-Zr system, but much less stable than the DO 22 structure in the Al-Nb system, and both the DO 22 and Al 8 V 5 structure in the Al-V system. Furthermore, these experimental results were found to be in good agreement with the DFT and kinetic calculations, as we determined that the metastable L1 2 in Al-Zr only requires a small amount of undercooling to favor its nucleation over the stable DO 23 , suggesting additive manufacturing can be a viable pathway to develop Al-Zr alloys strengthened by a high volume fraction of L1 2 Al 3 Zr phase.

Perrin, Alice E. [Oak Ridge National Laboratory (O↗

DOE OSTI2015

Dual-mode characteristics of the Buneman instability in a bounded slab plasma

The dual-mode characteristics of the Buneman instability are investigated in a slab plasma, including the geometric effects. The dual symmetric and anti-symmetric dispersion modes of the Buneman instability are obtained by the plasma dielectric function with the spectral reflection conditions for the slab geometry. The result shows that the magnitudes of the growth rate for the symmetric mode are always greater than those for the anti-symmetric mode. It is also found that the geometric effect suppresses the position of the maximum growth rate for the Buneman instability in bounded slab plasmas since the maximum conditions for the symmetric and anti-symmetric modes of the Buneman instability are given by 0.60<k{sub z}v{sub 0}/ω{sub pe}<0.65. The physical characteristics and properties of the dual modes of the Buneman instability are also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Vertical GaN Superjunction Diode on Sapphire with Kilovolt Dynamic Breakdown Voltage

The development of superjunction structures for use in vertical wide bandgap power devices promise to break the 1-D material limits. Additionally, the possibility of utilizing heteroepitaxial GaN-on-Sapphire wafer for vertical devices can significantly trim the material and device cost. This work introduces a quasi-vertical GaN-on-Sapphire superjunction PN diode design utilizing sputtered p-NiO on the etched GaN fins for superjunction formation. DC breakdown voltage is shown to vary with superjunction charge imbalance and significantly exceed the expected 1-D planar limit of 350V given the epilayer design used. A maximum breakdown voltage of 840 V is extracted for near charge balance conditions limited by leakage current. Dynamic breakdown of the device is characterized as a function of reverse voltage slew rate. A maximum dynamic breakdown voltage of 1160 V under a reverse voltage slew rate of 2000 V/μs is found.

Porter, Matthew↗

NASA NTRS1971

Tolerence for work-induced heat stress in men wearing liquidcooled garments

An investigation of the heat tolerance in men unable to dispose of metabolic heat as fast as it is produced within the body is discussed. Examinations were made of (a) the effect of work rate (metabolic rate) on tolerance time when body heat storage rate is a fixed quantity, and (b) tolerance time as a function of metabolic rate when heat loss is terminated after a thermal quasi-equilibrium was attained under comfortable conditions of heat transfer. The nature of the physiological mechanisms involved in such heat stress situations, and the possibility of using prediction techniques to establish standard procedures in emergencies involving cooling system failures are also discussed.

Blockley, W. V.↗

NASA NTRS1972

Studies of thermionic materials for space power applications

The effect of microstructures of tungsten cladding on the transport rates of carbide fuel components was studied at 2073 K. hyperstoichiometric 90UC-10ZrC containing 4 wt% tungsten was clad with six types of tungsten material of 40 mil thickness. Screening tests of 1000 hours were carried out, and then selected samples were subjected to long-term tests up to 10,000 hours. The results indicate that the microstructures strongly affect the transport rates of carbide fuel components. The conditions for preparing (110) oriented cylindrical chloride tungsten emitters of high vacuum work functions were also investigated. Specimen sets were deposited on fluoride tungsten substrates for evaluating the effects of various deposition parameters on the degree and uniformity of the (110) preferred orientation and the vacuum work function. Long-term tests showed that the high vacuum work function of a cylindrical emitter was stable and the chloride tungsten to fluoride tungsten bond remained in excellent shape after 4850 hours at 2073 K.

Source record↗

NASA NTRS1983

Tradeoff studies in multiobjective insensitive design of airplane control systems

A computer aided design method for multiobjective parameter-insensitive design of airplane control systems is described. Methods are presented for trading off nominal values of design objectives against sensitivities of the design objectives to parameter uncertainties, together with guidelines for designer utilization of the methods. The methods are illustrated by application to the design of a lateral stability augmentation system for two supersonic flight conditions of the Shuttle Orbiter. Objective functions are conventional handling quality measures and peak magnitudes of control deflections and rates. The uncertain parameters are assumed Gaussian, and numerical approximations of the stochastic behavior of the objectives are described. Results of applying the tradeoff methods to this example show that stochastic-insensitive designs are distinctly different from deterministic multiobjective designs. The main penalty for achieving significant decrease in sensitivity is decreased speed of response for the nominal system.

Schy, A. A.↗

NASA NTRS1990

Mid- and low-latitude model of thermospheric emissions. I - O(+) (2P) 7320 A and N2 (2P) 3371 A

This paper presents an interhemispherically coupled model of airglow emissions of the O(+) (2P) metastable state (7320 A) and the 0-0 band of the N2 second positive system (3371 A), covering mid- and low-latitudes. The model produces volume emission rates as a function of altitude, latitude, longitude, and local time for any selected data and solar and magnetic conditions, and, thus, can be used to provide three-dimensional maps of the selected emission for comparison with data obtained from orbiting vehicles. The semiglobal graphical maps of the 7320 A and 3371 A emissions illustrate the seasonal, diurnal, and solar cyclic variations on a scale that covers mid- and low-latitudes, as well as the effects of interhemispheric coupling (conjugate photoelectrons). It is shown that, in both cases, conjugate photoelectrons result in excitation at mid- to high- nighttime-latitudes in the winter hemisphere.

Torr, Marsha R.↗