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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Reactive transport modelling of cement paste leaching in brines

We propose and analyse a unified reactive transport model for leaching of cement paste in brines, with and without CO{sub 2}. We investigate the impact of the boundary conditions on the rate of propagation of the reaction. In agreement with experiments, we observe distinct mechanisms as a function of the pH and the CO{sub 2} concentration of the leaching brine. In particular, clogging is observed at intermediate concentration of CO{sub 2} while higher concentration accelerates the reaction. In addition, we leverage the flexibility of the simulator to explore the impact of different models on the simulations. In particular, aqueous species, phase assemblage and diffusion coefficient model are varied. We demonstrate that in order to be able to obtain quantitative predictions, it is important to accurately capture the feedback between chemical reactions, microstructure and macroscopic transport parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Pressure dependence of carbonate exchange with [NpO 2 (CO 3 ) 3 ] 4– in aqueous solutions

Here, the rates of ligand exchange into the geochemically important [NpO 2 (CO 3 ) 3 ] 4– aqueous complex are measured as a function of pressure in order to complement existing data on the isostructural [UO 2 (CO 3 ) 3 ] 4– complex. Experiments are conducted at pH conditions where the rate of exchange is independent of the proton concentration. Unexpectedly, the experiments show a distinct difference in the pressure dependencies of rates of exchange for the uranyl and neptunyl complexes.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2018

Fluid Flow, Dissolution, and Mixing Phenomena in Argon-Stirred Steel Ladles

In the current study, the multiphase fluid flow in argon-stirred steel ladles is simulated using an Eulerian–Lagrangian two-phase approach. The momentum source and the turbulent kinetic energy source due to the motion of the bubble are considered for the liquid phase. Argon bubbles are treated as discrete phase particles, and the interfacial forces between the bubbles and the liquid phase; the dependence of the gas density and the bubble diameter on the temperature and the static pressure; and the bubble size distribution are considered. When the fluid flow reaches the quasi-steady state, the ferroalloy melting and mixing phenomena is also modeled. The melting time and the trajectory length of each ferroalloy particle are recorded using a user-defined function (UDF). Local mixing time is predicted in the entire computational domain by checking the mixing criteria in every cell. The effects of gas flow rate, porous plug location, and separation angle of two porous plugs on the fluid flow and the mixing phenomena are investigated. The results show that the flow intensity increases, and the mixing time decreases with the increasing gas flow rate. The optimal porous plug’s radial position with one porous plug is 0.50R for its best mixing condition. When two porous plugs are adopted, the separation angle of 90 deg is recommended to improve the flow field and mixing phenomena.

42 ENGINEERING↗
NASA NTRS1995

Secular variation of activity in comets 2P/Encke and 9P/Tempel 1

We compare production rates of H20 derived from International Ultraviolet Explorer (IUE) spectra from multiple apparitions of 2 comets, 2P/Encke and 9P/Tempel 1, whose orbits are in near-resonance with that of the Earth. Since model-induced errors are primarily a function of observing geometry, the close geometrical matches afforded by the resonance condition results in the cancellation of such errors when taking ratios of production rates. Giving careful attention to the variation of model parameters with solar activity, we find marginal evidence of change in 2P/Encke: a 1-sigma pre-perihelion decrease averaging 4%/revolution over 4 apparitions from 1980-1994, and a 1-sigma post-perihelion increase of 16%/revolution for 2 successive apparitions in 1984 and 1987. We find for 9P/Tempel 1, however, a 7-sigma decrease of 29%/revolution over 3 apparitions from 1983-1994, even after correcting for a tracking problem which made the fluxes systematically low. We speculate on a possible association of the character of long-term brightness variations with physical properties of the nucleus, and discuss implications for future research.

Haken, Michael↗
DOE OSTI2015

Impact of deposition conditions on the crystallization kinetics of amorphous GeTe films

The speed at which phase change memory devices can operate depends strongly on the crystallization kinetics of the amorphous phase. To better understand factors that affect the crystallization rate, we have investigated in this paper crystallization of GeTe films as a function of their deposition temperatures and deposition rates, using X-ray synchrotron radiation and Raman spectroscopy. As-deposited films were found to be fully amorphous under all conditions, even though films deposited at higher temperatures and lower rates experienced lower effective quench rates. Non-isothermal transformation curves show that the apparent crystallization temperature of GeTe films decreases with increasing deposition temperature and decreasing deposition rate. It was found that this correlates with a decrease in the activation energy for nucleation (calculated using Kissinger’s analysis), while the activation energy for crystal growth remained unaffected. Finally, from Raman spectroscopy measurements, it was found that increasing the deposition temperature or decreasing the deposition rate, and therefore the effective quench rate, reduces the number of homopolar Te–Te bonds and thereby reduces the barrier to crystal nucleation.

36 MATERIALS SCIENCE↗
NASA NTRS2024

Relation Between Magnetopause Position and Reconnection Rate Under Quasi‑Steady Solar Wind Dynamic Pressure

The lunar environment heliospheric X-ray imager (LEXI) and solar wind–magnetosphere–ionosphere link explorer (SMILE) will observe the magnetopause motion in soft X-rays to understand dayside reconnection modes as a function of solar wind conditions after their respective launches in the near future. To support their successful science mission, we investigate the relationship between the magnetopause position and the dayside reconnection rate by utilizing super dual auroral radar network (SuperDARN) observations and widely used empirical models of magnetopause position (Shue et al. in J Geophys Res 103:17691–17700. https://doi.org/10.1029/98JA01103, 1998 and Lin et al. in J Geophys Res 115:A04207. https://doi.org/10.1029/2009JA014235, 2010). We select three cases when the interplanetary magnetic field rotates during periods of quasi-steady solar wind dynamic pressure. We first estimate the dayside reconnection rate by calculating the electric field along the open–closed magnetic field boundary (OCB) in the OCB moving reference frame. Then, we estimate the magnetopause position near the local noon by inputting NASA OMNI solar wind data into the empirical magnetopause models. The reconnection rate shows anti-correlation with the magnetopause position that it generally increases as the magnetopause located closer to Earth and vice versa. Our result also confirms that the reconnection rate increases as the empirical coupling efficiency between solar wind and the magnetosphere increases.

Hyangpyo Kim↗
DOE OSTI2019

Multiscale modeling of fission gas behavior in U 3 Si 2 under LWR conditions

In this work, we present a model of fission gas behavior in U 3 Si 2 under light water reactor (LWR) conditions for application in engineering fuel performance codes. The model includes components for intra-granular and inter-granular behavior of fission gases. The intra-granular component is based on cluster dynamics and computes the evolution of intra-granular fission gas bubbles and swelling coupled to gas diffusion to grain boundaries. The inter-granular component describes the evolution of grain-boundary fission gas bubbles coupled to fission gas release. Given the lack of experimental data for U 3 Si 2 under LWR conditions, the model is informed with parameters calculated via atomistic simulations. In particular, we derive fission gas diffusivities through density functional theory calculations, and the re-solution rate of fission gas atoms from intra-granular bubbles through binary collision approximation calculations. Further, the developed model is applied to the simulation of an experiment for U 3 Si 2 irradiated under LWR conditions available from the literature. Results point out a credible representation of fission gas swelling and release in U 3 Si 2 . Finally, we perform a sensitivity analysis for the various model parameters. Based on the sensitivity analysis, indications are derived that can help in addressing future research on the characterization of the physical parameters relative to fission gas behavior in U 3 Si 2 . The developed model is intended to provide a suitable infrastructure for the engineering scale calculation of fission gas behavior in U 3 Si 2 that exploits a multiscale approach to fill the experimental data gap and can be progressively improved as new lower-length scale calculations and validation data become available.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1987

Non-equilibrium freezing of water-ice in sandy basaltic regoliths and implications for fluidized debris flows on Mars

Many geomorphic features on Mars were attributed to Earth-analogous, cold-climate processes involving movement of water or ice lubricated debris. Clearly, knowledge of the behavior of water in regolith materials under Martian conditions is essential to understanding the postulated geomorphic processes. Experiments were performed with sand-sized samples of natural basaltic regoliths in order to further elucidate how water/regolith interactions depend upon grain size and mineralogy. The data reveal important contrasts with data for clay-mineral substrates and suggest that the microphysics of water/mineral interactions might affect Martian geomorphic processes in ways that are not fully appreciated. Sand and silt sized fractions of two soils from the summit of Mauna Kea were used as Mars-analogous regolith materials. Temperatures were measured for water/ice phase transitions as wet slurries of individual soil fractions which were cooled or heated at controlled rates under a carbon dioxide atmosphere. Freezing and melting of ice was studied as a function of water/soil mass ratio, soil particle size, and thermal-cycle rate. Comparison tests were done under the same conditions with U.S. Geological Survey standard rock powders.

Gooding, J. L.↗
DOE OSTI2021

Performance Analysis and Limiting Parameters of Cross-flow Membrane-based Liquid-desiccant Air Dehumidifiers

We report that to dehumidify a humid air stream, existing air conditioning (AC) systems substantially overcool the outdoor humid air below its dew point, thereby significantly reducing energy efficiency. Directly capturing humidity, membrane-based liquid-desiccant dehumidification systems separate sensible and latent cooling (SSLC) loads and thus offer a promising pathway for a high-performance AC solution. Design of an energy-efficient SSLC-AC system, however, rests largely on detailed understating of the dehumidification process. While some studies have identified the dehumidification process mainly depends on membrane characteristics, other studies have argued that the process is limited by desiccant liquid or alternatively air thermo-hydraulic physics for typical humid climate conditions. The present study examines performance and physics of the membrane-based liquid-desiccant dehumidification process over a wide range of climate conditions through a novel 3D, two-phase, multi-species CFD model. Decoupling the thermodynamic and hydraulic effects, the study reveals that the dehumidification rate is a linear function of the water vapor pressure potential ($J=α ΔP$) summarizing the system's thermodynamic state. The slope of the curve (i.e., α) depends on hydraulic transport characteristics of the membrane pores, air stream, and desiccant solution. More importantly, it was found that the air dehumidification process is mainly limited by the air-side transport physics for thin liquid-desiccant films and commonly used porous superhydrophobic membranes. Additionally, results show that, depending on ambient/desiccant conditions and physical dehumidifier characteristics, energy effectiveness and dehumidification rate vary from 13 to 34% and from 0.13 to 1.4 g m -2 s -1 , respectively. Therefore, the present study allows to efficiently design future SSLC-based AC systems exhibiting high performance energy metrics.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2019

Small-scale flow topologies in decaying isotropic turbulence laden with finite-size droplets

The topology of the fine-scale motions in decaying isotropic turbulence laden with droplets of super-Kolmogorov size is investigated using results from direct numerical simulations. The invariants of the velocity-gradient, rate-of-strain, and rate-of-rotation tensors are computed in the carrier phase. The joint probability density functions of the invariants are calculated and conditioned on different distances from the droplet surface. The results show that outside the viscous region near the interface, the flow topologies favor stable focus/stretching and unstable node/saddle/saddle structures, which is in agreement with those found in canonical homogeneous isotropic turbulence. Inside the viscous layer at the droplet surface, the flow topologies shift from a preference for high-enstrophy/low-dissipation motions to favoring low-enstrophy/high-dissipation. At the droplet surface, there is a strong tendency for boundary-layer-like and vortex-sheet flow topologies in which the strain and rotation rates are positively correlated. Furthermore, an interesting observation is that the shapes of the invariant distributions at the droplet surface are remarkably similar to those reported in the viscous sublayer of turbulent wall-bounded flows. Also, the results show that the smallest hydrodynamic length scale of the carrier fluid turbulence is located at the droplet interface and that this length scale is two to three times smaller than that of the surrounding bulk flow. From a computational viewpoint, this suggests a more stringent spatial resolution requirement for the direct numerical simulation of finite-size droplets in isotropic turbulence than its single-phase counterpart.

42 ENGINEERING↗
DOE OSTI2019

Metalearners for estimating heterogeneous treatment effects using machine learning

There is growing interest in estimating and analyzing heterogeneous treatment effects in experimental and observational studies. We describe a number of metaalgorithms that can take advantage of any supervised learning or regression method in machine learning and statistics to estimate the conditional average treatment effect (CATE) function. Metaalgorithms build on base algorithms—such as random forests (RFs), Bayesian additive regression trees (BARTs), or neural networks—to estimate the CATE, a function that the base algorithms are not designed to estimate directly. We introduce a metaalgorithm, the X-learner, that is provably efficient when the number of units in one treatment group is much larger than in the other and can exploit structural properties of the CATE function. For example, if the CATE function is linear and the response functions in treatment and control are Lipschitz-continuous, the X-learner can still achieve the parametric rate under regularity conditions. We then introduce versions of the X-learner that use RF and BART as base learners. In extensive simulation studies, the X-learner performs favorably, although none of the metalearners is uniformly the best. In two persuasion field experiments from political science, we demonstrate how our X-learner can be used to target treatment regimes and to shed light on underlying mechanisms. A software package is provided that implements our methods.

42 ENGINEERING↗
NASA NTRS1991

Thermal modeling of a Ni-H2 battery cell

The nickel-hydrogen secondary battery has many desirable features which make it attractive for satellite power systems. It can provide a significant improvement over the energy density of present spacecraft nickel-cadnium batteries, combined with longer life, tolerance to overcharge and possibility of state-of-charge indication. However, to realize these advantages, accurate thermal modeling of nickel-hydrogen cells is required in order to properly design the battery pack so that it operates within a specified temperature range during the operation. Maintenance of a low operating temperature and a uniform temperature profile within the cell will yield better reliability, improved cycle life and better charge/discharge efficiencies. This research has the objective of developing and testing a thermal model which can be used to characterize battery operation. Primarily, temperature distribution with the heat generation rates as a function of position and time will be evaluated for a Ni-H2 cell in the three operating modes: (1) charge cycle, (2) discharge cycle, and (3) overcharge condition, if applicable. Variables to be examined include charging current, discharge rates, state of charge, pressure and temperature. Once the thermal model has been developed, this resulting model will predict the actual operating temperature and temperature gradient for the specific cell geometry to be used.

Ryu, Si-Ok↗
DOE OSTI2023

Tailoring the Near-Surface Environment of Rh Single-Atom Catalysts for Selective CO 2 Hydrogenation

For this study, we used a combination of experimental spectroscopies, density functional theory calculations, and CO 2 hydrogenation studies to investigate the effects of modifying single-atom Rh 1 /TiO 2 catalysts with functionalized phosphonic acid monolayers. We found that the deposition of specific amine-functionalized ligands resulted in an ~8× increase in site-specific CO 2 reduction turnover frequency at 150 °C and a ~2× increase at 250 °C. On-stream stability also improved following ligand deposition. The effect of the modifier on reactivity was highly sensitive to the proximity of the amine functional group to the surface, which was controlled by adjusting the length of the phosphonic acid tail. Furthermore, deposition of alkyl phosphonic acids without an amine functional group resulted in blocked CO 2 adsorption and a near-complete loss of catalytic activity. Infrared spectroscopy studies suggested that the amine group provided binding sites for CO 2 that enabled hydrogenation when the amine was positioned near a Rh1 site. Phosphonic acid-modified catalysts also exhibited high selectivity to CO over the series product methane; the selectivity effect was traced to modification of the Rh1 sites to favor CO desorption. Phosphonic acid deposition resulted in 80–90% loss of accessible Rh1 sites, likely due to blocking by tail groups. However, even with the loss of sites, under low-temperature reaction conditions, the rates of CO 2 hydrogenation were improved with the coatings, indicating that the remaining sites are highly efficient. Organic functionalization of the supports for atomically dispersed catalysts offers the opportunity to precisely control the positioning of functional groups in the vicinity of a well-defined active site, potentially enabling an additional level of control over active site design.

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

Mechanisms and Kinetics of Reduction of Solid NiO in CO/CO{sub 2} and CO/Ar Gas Mixtures

Experimental studies have been carried out on the reduction of dense nickel oxide in CO/CO{sub 2} and CO/Ar gas mixtures at temperatures between 873 K and 1273 K (600 °C and 1000 °C). Examination of the nickel product microstructures of partially reduced samples has been undertaken using high-resolution scanning electron microscopy. It has been shown that the reduction can result in the formation of a dense nickel layer at the sample surface, continuous gas pore growth in the NiO, or the discontinuous growth of the porous nickel product. The product morphologies formed, and the microstructures of the gas/metal oxide/metal interfaces, are functions of reaction temperature and gas conditions. The microstructural and kinetic evidence indicates direct links between the reduction rates, nickel product growth mechanisms, and product microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Compact in-vacuum gamma-ray spectrometer for high-repetition rate PW-class laser–matter interaction

With the advent of high repetition rate laser facilities, novel diagnostic tools compatible with these advanced specifications are required. This paper presents the design of an active gamma-ray spectrometer intended for these high repetition rate experiments, with particular emphasis on functionality within a PW level laser-plasma interaction chamber’s extreme conditions. The spectrometer uses stacked scintillators to accommodate a broad range of gamma-ray energies, demonstrating its adaptability for various experimental setups. In addition, it has been engineered to maintain compactness, electromagnetic pulse resistance, and ISO-5 cleanliness requirements while ensuring high sensitivity. The spectrometer has been tested in real conditions inside the PW-class level interaction chamber at the BELLA center, LBNL. The paper further details the calibration process, which utilizes a 60 Co radioactive source, and describes the unfolding technique implemented through a stochastic minimization method.

47 OTHER INSTRUMENTATION↗
NASA NTRS2011

Ascent Heating Thermal Analysis on Spacecraft Adaptor Fairings

When the Crew Exploration Vehicle (CEV) is launched, the spacecraft adaptor (SA) fairings that cover the CEV service module (SM) are exposed to aero heating. Thermal analysis is performed to compute the fairing temperatures and to investigate whether the temperatures are within the material limits for nominal ascent aeroheating case. The ascent heating is analyzed by using computational fluid dynamics (CFD) and engineering codes at Marshall Space Flight Center. The aeroheating environment data used for this work is known as Thermal Environment 3 (TE3) heating data. One of the major concerns is with the SA fairings covering the CEV SM and the SM/crew launch vehicle (CLV) flange interface. The TE3 heating rate is a function of time, wall temperature, and the spatial locations. The implementation of the TE3 heating rate as boundary conditions in the thermal analysis becomes challenging. The ascent heating thermal analysis on SA fairings and SM/CLV flange interface are performed using two commercial software packages: Cullimore & Ring (C&R) Thermal Desktop (TD) 5.1 and MSC Patran 2007r1 b. TD is the pre-and post-processor for SINDA, which is a finite-difference-based solver. In TD, the geometry is built and meshed, the boundary conditions are defined, and then SINDA is used to compute temperatures. MSC Pthermal is a finite-element- based thermal solver. MSC Patran is the pre- and post-processor for Pthermal. Regarding the boundary conditions, the convection, contact resistance, and heat load can be imposed in different ways in both programs. These two software packages are used to build the thermal model for the same analysis to validate each other and show the differences in the modeling details.

Wang, Xiao Yen↗
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.↗