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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Mechanistic and kinetic relevance of hydrogen and water in CO 2 hydrogenation on Cu-based catalysts

Here, we ally steady-state kinetics, kinetic isotope effects, and density functional theory (DFT) calculations to illustrate that Cu-based catalysts remain saturated by H-adatoms (H*) and molecular formic acid (HCOOH**) during CO 2 hydrogenation. High H* coverage under methanol synthesis conditions is evidenced by reverse water-gas shift (RWGS) rates that exhibit positive H 2 reaction orders only at P H2 ≲ 0.5 bar, above which methanol synthesis and RWGS rates exhibit first and zeroth order dependence on P H2 , respectively. HCOOH** also accumulates on the surface with increasing P CO2 as informed by the Langmuir-type dependence on P CO2 (0.25-23 bar) for both methanol synthesis and RWGS. As both HCOOH** and H* have one H-atom per site occupied, the two species share the same P H2 dependence and give rise to CO 2 reaction orders that are independent of P H2 . Surface coverages determined based on kinetic analyses are further corroborated with DFT-derived adsorption energies that show favorable HCOOH** adsorbate-adsorbate interactions as well as repulsive interactions for bidentate formate (HCOO**) on H*-saturated surfaces. Methanol selectivity remains invariant with P CO2 and P CO despite CO inhibiting reaction rates, thereby demonstrating methanol synthesis and RWGS occur on the same active site. In contrast, water preferentially inhibits methanol synthesis rates, increases methanol synthesis H 2 reaction order from 1.0 to 1.5, and alters the methanol synthesis H 2 /D 2 kinetic isotope effect; the inhibitory effect of H 2 O thus cannot be attributed to competitive adsorption alone and instead reflects a change in the rate-determining step for methanol synthesis. The disparate kinetics of methanol synthesis and RWGS evince a branching pathway where methanol is formed from formates and CO is formed from carboxylates. The presented work thus identifies the relevant surface species, underscores the distinct catalytic role of water in branching methanol synthesis and RWGS pathways, and, in doing so, details a mechanistic picture that yields predictable rates and reaction orders for both methanol synthesis and RWGS on Cu-based CO 2 hydrogenation catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Machine learning bridges local static structure with multiple properties in metallic glasses

A long-standing challenge in the metallic glass (MG) community has been how to quantitatively gauge the influence of the intricate local packing environment on the response (such as the propensity for atomic rearrangement) of the atomic configuration to external stimuli. Here we establish this structure–property relation by representing the complex amorphous structure using a single, flexibility-orientated structural quantity. This structural flexibility (SF) couples to a bona fide structural representation, the pair distribution function (PDF) of individual atoms, through a weighting function that reflects what matters in the static atomic configuration to dynamic responses. Machine learning is used, employing microscopic flexibility volume as the supervisory signal, to establish via direct regression an optimized weighting vector, which is proven robust for all quenching rates, deformation conditions, and different compositions in a given (e.g., Cu x Zr 100-x ) alloy system. Additionally, the SF is evaluated solely from the particle positions (PDF), for any structure variation, from the atomic scale up to sample average. Strong correlations are demonstrated between SF and a broad range of properties, including vibrational, diffusional, as well as elastic and plastic relaxation responses.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Database-wide hazard modelling of the onset of DIII-D tearing modes with field features

The rate of onset (hazard) of tearing modes is modelled probabilistically using statistical learning algorithms. Axisymmetric energy-density equilibrium fields are taken as raw high-dimensional input features which are reduced with principal component analysis. Signal processing of non-axisymmetric magnetics fluctuation array data provides the target information from which to learn. Model selection, visualization and calibration assessment procedures are detailed. Here, the analysis is deployed at large scale across the DIII-D tokamak database. Standard model selection criteria suggest that the energy-density post-processed feature is a better choice for modelling the onset rate compared to the non-processed equilibrium reconstruction solution. Two example applications of the learned rate function are demonstrated: (i) proximity-to-onset discharge monitoring and (ii) database analysis showing an (expected) observational global trend that the general hazard increases as a plasma performance metric increases. An important connection between the hazard function and its use as a conditional probability generator is reviewed in the Appendix.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Vapor phase nucleation of the short-chain n -alkanes ( n -pentane, n -hexane and n -heptane): Experiments and Monte Carlo simulations

We measured the nucleation rates of n-pentane through n-heptane in a supersonic nozzle at temperatures ranging from ca. 109 K to 168 K. For n-pentane and n-hexane, these are the first nucleation rate measurements that have been made, and the trends in the current data agree well with those in the earlier work of Ghosh et al. for longer chain alkanes. Complementary Monte Carlo simulations, using the transferable potentials for phase equilibria-united atom potentials, suggest that despite the high degree of supercooling, the critical clusters remain liquid like under experimental conditions for n-pentane through n-heptane, but adopt more ordered structures for n-octane and n-nonane. For all three alkanes, the experimental and simulated nucleation rates are offset by ~3 orders of magnitude when plotted as a function of ln S/(T c /T – 1) 1.5 . Explicitly accounting for the surface tension difference between the real and model substances, or alternatively using the Hale scaling parameter, Ω, consistent with the model potential, increases the offset to ~6 orders of magnitude.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Adaptation of fan motor and VFD efficiency correlations using Bayesian inference

Energy performance contracts (EPC) are types of agreements in which a service provider guarantees that customers’ buildings will achieve a specified energy performance (i.e., minimum energy savings) to reduce the risk of their investment in energy efficiency improvements. EPC requires prediction of future energy consumption of the building, at the design stage, before construction or major retrofit. To this end, building energy simulations taking into account all the major energy-using components are performed. In particular, fans can contribute significantly to the total building consumption. The overall efficiency of fans is the combination of three factors: mechanical, motor, and variable frequency drive (VFD). Manufacturers usually provide fan mechanical efficiency curves for a broad operating range. In contrast, motor and VFD efficiencies are generally given at rating conditions only. To represent part-load conditions, correlations are typically used to estimate motor and VFD efficiency variations, to evaluate the overall electricity consumption. The first aim of this study is to evaluate existing correlations for motor and VFD efficiency as a function of load and speed, by comparison with manufacturer data, for a vendor that has shared its detailed test data. While VFD efficiency correlations from the literature provide reasonable accuracy against real data, motor correlations under predict actual motor efficiency at low loads. Finally, the second aim of the paper is to improve such correlations using Bayesian inference to fit the available data.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1971

Flow field measurements for cylindrical configurations in a hypersonic wind tunnel: Windward and leeward flow fields

Windward and leeward measurements were made for a variety of simulated infinite cylinders exposed to hypersonic streams over an angle of attack from 30 deg to 90 deg. For the range of conditions included in the study, the following conclusions are made: (1) Swept cylinder theory provides a reasonable correlation of the measured laminar heat transfer rates from the plane of symmetry. (2) The boundary layer transition criteria in the plane of symmetry are a function of the transverse curvature. (3) Relaminarization of the circumferential boundary layer for a right circular cylinder was observed at the highest Reynolds number tested. (4) The effect of leeside geometry on the average heat transfer rate can be correlated with a single geometric parameter which is dependent on the location of separation. (5) The relationship of leeward heating to angle of attack is virtually linear for each cross section. (6) No systematic effect of free stream Reynolds number was observed.

Bertin, J. J.↗
NASA NTRS1976

Long-life mission reliability for outer planet atmospheric entry probes

The results of a literature analysis on the effects of prolonged exposure to deep space environment on the properties of outer planet atmospheric entry probe components are presented. Materials considered included elastomers and plastics, pyrotechnic devices, thermal control components, metal springs and electronic components. The rates of degradation of each component were determined and extrapolation techniques were used to predict the effects of exposure for up to eight years to deep space. Pyrotechnic devices were aged under accelerated conditions to an equivalent of eight years in space and functionally tested. Results of the literature analysis of the selected components and testing of the devices indicated that no severe degradation should be expected during an eight year space mission.

Mccall, M. T.↗
NASA NTRS1983

Estimation of parameters involved in high angle-of-attack aerodynamic theory using spin flight test data

The difficulty in applying parameter estimation techniques to spinning airplanes is due in part to the unwieldy number of possible combinations of terms in the equations of motion, when the model structure is unknown. The combination of high angle of attack and high rotation rate results in aerodynamic functions which are quite complex. For wing dominated configurations it is advantageous to use aerodynamic theory to generate the model structure. In this way, the number of unknown parameters is reduced and the model accuracy may be increased. Under conditions for which the theory is inadequate, however, model accuracy may be reduced. Strip theory, for example, is incapable of predicting autorotative rolling moments indicated by wind tunnel tests at angles of attack exceeding 40 degrees. An improved aerodynamic theory would be necessary to successfully apply the technique advanced for such regions.

Taylor, L. W., Jr.↗
NASA NTRS1984

Forest Environments

The application of remote sensing measurement techniques to scientific questions involving forests is a necessity because of the extent of forests, their variability, and the need to measure their interaction with environmental processes. The synoptic view given by remote sensing data of the extent, variability, and relation to environmental processes involving energy balances, disposition of water, and tree growth in relation to elemental storage of carbon, nitrogen and other essential elements is essential to understanding the forest in a scientific way. The ability to make comparisons in these properties at various intervals allows the determination of process functions and rates where the forest affects environmental properties. The ultimate objective in using these data is to define the extent of the forest and wildland resource, to determine the changes that are occurring in the resource due to utilization by man under conditions of changing market and population demands, and to evaluate the correlated changes occurring in various environmental properties influenced by forest vegetation on a local as well as global scale.

Zinke, P.↗
NASA NTRS1993

Vibrational nonequilibrium effects on diatomic dissociation rates

The collision-induced dissociation rate of diatomic molecules from a ladder of rotational and anharmonic vibrational states is developed, and the correction for vibrational nonequilibrium is considered. The result is similar to an analytic correction derived by Hammerling et al. (1959) for harmonic oscillators. An empirical correction algorithm suggested by Park (1987, 1990) gives similar results when vibrational temperature is comparable to kinetic temperature but underestimates the dissociation rate when vibrational temperature is small compared with the kinetic temperature. This algorithm uses an effective temperature in the experimentally determined Arrhenius expression for the rate coefficient, which is a weighted average of the vibrational and kinetic temperature, whereas theory indicates that kinetic temperature should appear only in the exponential term of the Arrhenius expression. Nevertheless, an effective temperature can always be found that will numerically duplicate the proper rate coefficient at any given condition, but a constant weighting factor cannot be expected to provide this. However, the algorithm can he adjusted to give reasonable results over a range of conditions if the geometric weighting factor is taken to be a simple linear function of the ratio of vibrational to kinetic temperature in the gas.

Hansen, C. F.↗
NASA NTRS1994

Charge efficiency of Ni/H2 cells during transfer orbit of Telstar 4 satellites

The TELSTAR 4 communication satellites being manufactured by Martin Marietta Astro Space (Astro Space) for AT&T are three axis stabilized spacecraft scheduled to be launched on expendable vehicles such as the Atlas or Ariane rockets. Typically, these spacecraft consist of a box that holds the electronics and supports the antenna reflectors and the solar array wings. The wings and reflectors are folded against the sides of the box during launch and the spacecraft is spun for attitude control in that phase; they are then deployed after achieving the final orbit. The launch phase and transfer orbits required to achieve the final geosynchronous orbit typically take 4 to 5 days during which time the power required for command, telemetry, attitude control, heaters, etc., is provided by two 50 AH nickel hydrogen batteries augmented by the exposed outboard solar panels. In the past, this situation has presented no problem since there was a considerable excess of power available from the array. In the case of large high powered spacecraft such as TELSTAR 4, however, the design power levels in transfer orbit approach the time-averaged power available from the exposed surface area of the solar arrays, resulting in a very tight power margin. To compound the difficulty, the array output of the spinning spacecraft in transfer orbit is shaped like a full wave rectified sine function and provides very low charging rates to the batteries during portions of the rotation. In view of the typically low charging efficiency of alkaline nickel batteries at low rates, it was decided to measure the efficiency during a simulation of the TELSTAR 4 conditions at the expected power levels and temperatures on three nickel hydrogen cells of similar design. The unique feature of nickel hydrogen cells that makes the continuous measurement of efficiency possible is that hydrogen is one of the active materials and thus, cell pressure is a direct measure of the state of charge or available capacity. The pressure is measured with a calibrated strain gage mounted on the outside of the pressurized cell.

Fang, W. C.↗
NASA NTRS1999

The Effect of Velocity on the Extinction Behavior of a Diffusion Flame during Transient Depressurization

Current fire suppression plans for the International Space Station include the use of venting (depressurization) as a method for extinguishing a fire. Until recently this process had only been examined as part of a material flammability experiment performed on Skylab in the early 1970's. Due to the low initial pressure (0.35 Atm) and high oxygen concentration (65%), the Skylab experimental results are not applicable for understanding the effects of venting on a fire in a space station environment (21%O2, 1 Atm). Recent research examined the extinction behavior of a diffusion flame over a polymethyl methacrylate (PMMA) cylinder during a transient depressurization in low-gravity. The numerical model was used to examine extinction limits as a function of depressurization rate, forced flow velocity, and initial solid phase temperature. The experimental and numerically predicted extinction data indicated that as the solid phase temperature increased the pressure required to extinguish the flame decreased. The numerical model was also used to examine conditions not obtainable in the low-gravity experiments. From these simulations, a series of extinction boundaries were generated that showed a region of increased flammability existed at a forced flow of 10 cm/s. Analysis of these extinction boundaries indicated that they were quasi-steady in nature, and that the final extinction conditions were independent of the transient process. The velocity range in the previous study was limited and thus the results did not examine the effects of velocities less than 1 cm/s or greater than 20 cm/s. This study utilized low-gravity experiments performed on NASA's Reduced-gravity Research Aircraft Laboratory and numerical simulations to examine conditions applicable to the Space Station environment. This paper extends the analysis of the previous study to a comprehensive examination of the effect of increased velocity on extinction behavior and extinction limits during a transient depressurization in low-gravity. This is achieved by examining extinction data from buoyant (normal-gravity) and low-buoyant (low-gravity) depressurization. experiments, as well as from numerical predictions of flame behavior during depressurization in a non-buoyant (zero-gravity) environment.

Goldmeer, Jeffrey S.↗
NASA NTRS1999

Electron-cytochemical study of Ca2+ in cotyledon cells of soybean seedlings grown in microgravity

Microgravity and horizontal clinorotation are known to cause the rearrangement of the structural-functional organization of plant cells, leading to accelerated aging. Altered gravity conditions resulted in an increase in the droplets volume in cells and the destruction of chloroplast structure in Arabidopsis thaliana plants, an enhancement of cytosolic autophagaous processes, an increase in the respiration rate and a greater number of multimolecular forms of succinate- and malate dehydrogenases in cells of the Funaria hygrometrica protonema and Chlorella vulgaris, and changes in calcium balance of cells. Because ethylene is known to be involved in cell aging and microgravity appears to speed the process, and because soybean seedlings grown in space produce higher ethylene levels we asked: 1) does an acceleration of soybean cotyledon cell development and aging occur in microgravity? 2) what roles do Ca2+ ions and the enhanced ethylene level play in these events? Therefore, the goal of our investigation was to examine of the interaction of microgravity and ethylene on the localization of Ca2+ in cotyledon mesophyll of soybean seedlings.

Flight Experiment↗
NASA NTRS2002

Synthesis and thermoeletric properties of Co(sub (1-x)ni)(sub X)P(sub 3) and CoAs((sub 3-x))P(sub x) skutterudites

Two types of promising phosphide skutterudite materials, Co(1-x)NixP3 (x= 0.025 to 0.70) and CoAs(3-x)Px (x=0.5 to 0.10), have been synthesized and their transport properties measured. These compounds were prepared using a direct synthesis technique. The samples were hot pressed and analyzed by electron microprobe microscopy. Hall Effect measurements were conducted to determine the electrical conductivity, mobility and carrier concentration. In addition, Seebeck voltage and thermal conductivity measurements were performed. The thermoelectric properties are presented anddiscussed as a function of temperature up to 1273 K. The thermal stability of the primary CoP3 was examined in a static vacuum under isothermal and in-gradient conditions. The effect of the presence of 1 atm of a cover gas on the material loss rate was analyzed.

thermoelectric↗
NASA NTRS2018

Investigation of Transient Gas Phase Column Density Due to Droplet Evaporation

Analytical expressions are developed for estimating column density near a rapidly evaporating droplet along general paths. The influence for instantaneous evaporation is created first as a limiting case, where the peak value occurs at the time it takes a wave of vapor to reach the closest point along the optical path traveling at its most probable thermal speed. Next the case for finite-period evaporation is evaluated for constant conditions. Compared to the instantaneous case, peak column density occurs shortly after droplet extinction at a lower intensity. A new mathematical function is discovered that solves the integrals associated with this case. Finally, ways to account for droplet motion and changes in evaporation rate with size and temperature are discussed.

transient↗
NASA NTRS2018

Investigation of Transient Gas Phase Column Density Due to Droplet Evaporation

Analytical expressions are developed for estimating column density near a rapidly evaporating droplet along general paths. The influence for instantaneous evaporation is created first as a limiting case, where the peak value occurs at the time it takes a wave of vapor to reach the closest point along the optical path traveling at its most probable thermal speed. Next the case for finite-period evaporation is evaluated for constant conditions. Compared to the instantaneous case, peak column density occurs shortly after droplet extinction at a lower intensity. A new mathematical function is discovered that solves the integrals associated with this case. Finally, ways to account for droplet motion and changes in evaporation rate with size and temperature are discussed.

Column Density↗
NASA NTRSDate not supplied

The Influence of Smoke Particle Properties and Cabin Characteristics on Smoke Detection in Lunar Gravity

Spacecraft fires pose a threat to the success of future Lunar, Martian, and deep space exploration missions. As NASA plans to return humans to the Moon in the next decade, novel mission requirements will present new fire safety challenges. For example, materials that are fire resistant on Earth are expected to burn under planned habitat conditions (elevated oxygen concentrations and reduced cabin pressure) and partial gravity (0.16g). Optimal smoke detector placement will depend on a combination of buoyant plume velocities, induced by partial gravity, and Environmental Control and Life Support Systems (ECLSS) parameters, including particle filtration rates, supply and return placement within the cabin, and forced air velocities. These ECLSS parameters must also address the need for rapid Lunar dust removal, as Lunar dust exposure poses a risk to crew health and hardware functionality. Here, we present progress toward a computational fluid dynamics model to evaluate smoke transport in a Lunar habitat. Recent work has demonstrated that if air supplies are placed on ceilings and returns on the floor, a buoyant smoke layer at the ceiling may disperse over the order of minutes even under low forced flow conditions. We expand upon these results to examine the influence of different supply and return configurations on smoke plume development. Additionally, we also address differences in the transport of smoke particles and Lunar dust by varying particle parameters like size, density, and shape factor. Finally, we discuss ongoing and future experimental efforts to measure smoke particle properties and transport under partial gravity, elevated oxygen, and reduced pressure conditions.

Claire Fortenberry↗