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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

RELATIVE CONTRIBUTION OF THE MAGNETIC FIELD BARRIER AND SOLAR WIND SPEED IN ICME-ASSOCIATED FORBUSH DECREASES

We study 50 cosmic-ray Forbush decreases (FDs) from the Oulu neutron monitor data during 1997–2005 that were associated with Earth-directed interplanetary coronal mass ejections (ICMEs). Such events are generally thought to arise due to the shielding of cosmic rays by a propagating diffusive barrier. The main processes at work are the diffusion of cosmic rays across the large-scale magnetic fields carried by the ICME and their advection by the solar wind. In an attempt to better understand the relative importance of these effects, we analyze the relationship between the FD profiles and those of the interplanetary magnetic field (B) and the solar wind speed (V {sub sw}). Over the entire duration of a given FD, we find that the FD profile is generally (anti)correlated with the B and V {sub sw} profiles. This trend holds separately for the FD main and recovery phases too. For the recovery phases, however, the FD profile is highly anti-correlated with the V {sub sw} profile, but not with the B profile. While the total duration of the FD profile is similar to that of the V {sub sw} profile, it is significantly longer than that of the B profile. Using the convection–diffusion model, a significant contribution of advection by solar wind is found during the recovery phases of the FD.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Modeling the corrosion of steel casing and the damage of well cement in a borehole system

This work presents the effect of chloride-induced corrosion in an underground borehole system, specifically considering the steel casing and further damage to the surrounding cement. In the past four decades, oil well cement has been successfully used for underground construction. However, high concentrations of chloride ions gradually degrade the functionality and durability of well cement. Gasses and liquids can leak from deterioration caused by chloride ions, and thus motivate this study. The chemo-mechanical coupling diffusion model and a classical fracture mechanics model are applied. The model is validated with OPC concrete corrosion data from literature, and then applied to well cement using experimentally obtained material property data. The time when crack initiation, peak pressure, and complete fracture is reached in the model of the cement sheath provides a quantification of the expected service life of the borehole system.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Modeling the Simultaneous Dropout of Energetic Electrons and Protons by Magnetopause Shadowing

Abstract Magnetopause shadowing (MPS) effect could drive a concurrent dropout of radiation belt electrons and ring current protons. However, its relative role in the dropout of both plasma populations has not been well quantified. In this work, we study the simultaneous dropout of MeV electrons and 100s keV protons during an intense geomagnetic storm in May 2017. A radial diffusion model with an event‐specific last closed drift shell is used to simulate the MPS loss of both populations. The model well captures the fast shadowing loss of both populations at L * > 4.6, while the loss at L * < 4.6, possibly due to the electromagnetic ion cyclotron wave scattering, is not captured. The observed butterfly pitch angle distributions of electron fluxes in the initial loss phase are well reproduced by the model. The initial proton losses at low pitch angles are underestimated, potentially also contributed by other mechanisms such as field line curvature scattering.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Cu Migration in Polycrystalline CdTe Solar Cells

An impurity reaction-diffusion model is applied to Cu defects and related intrinsic defects in polycrystalline CdTe for a better understanding of Cu’s role in the cell level reliability of CdTe PV devices. The simulation yields transient Cu distributions in polycrystalline CdTe during solar cell processing and stressing. Preliminary results for Cu migration using available diffusivity and solubility data show that Cu accumulates near the back contact, a phenomena that is commonly observed in devices after back-contact processing or stress conditions.

14 SOLAR ENERGY↗
NASA NTRS1993

Modeling of turbulent supersonic H2-air combustion with a multivariate beta PDF

Recent calculations of turbulent supersonic reacting shear flows using an assumed multivariate beta PDF (probability density function) resulted in reduced production rates and a delay in the onset of combustion. This result is not consistent with available measurements. The present research explores two possible reasons for this behavior: use of PDF's that do not yield Favre averaged quantities, and the gradient diffusion assumption. A new multivariate beta PDF involving species densities is introduced which makes it possible to compute Favre averaged mass fractions. However, using this PDF did not improve comparisons with experiment. A countergradient diffusion model is then introduced. Preliminary calculations suggest this to be the cause of the discrepancy.

Baurle, R. A.↗
NASA NTRS1989

Jupiter's radiation belt ions - A comparison of theory and observation

Radial profiles are constructed for the Jovian radiation belt flux-tube content Y-asterisk from the reported phase-space density of energetic particles obtained from Voyager 1 data over the range L = 6 to L = 9. These experimental profiles are compared with theoretical solutions for Y-asterisk from an interchange-diffusion model of the coupled radiation belt and Iogenic ion populations. Subject to certain limitations of the Voyager 1 data, the model solutions are found to be consistent with the data for a variety of input parameters. Model solutions are also found corresponding to radiation belt ions that are expected to be mainly responsible for the auroral energy input. Comparison of the present theoretical profiles with the data implies that the energetic radiation belt ions should have a peak loss rate within a factor of three of that for strong diffusion scattering.

Summers, Danny↗
DOE OSTI2016

Quantification of ionic transport within thermally-activated batteries using electron probe micro-analysis

The transient transport of electrolytes in thermally-activated batteries is studied in this paper using electron probe micro-analysis (EPMA), demonstrating the robust capability of EPMA as a useful tool for studying and quantifying mass transport within porous materials, particularly in difficult environments where classical flow measurements are challenging. By tracking the mobility of bromine and potassium ions from the electrolyte stored within the separator into the lithium silicon anode and iron disulfide cathode, we are able to quantify the transport mechanisms and physical properties of the electrodes including permeability and tortuosity. Due to the micron to submicron scale porous structure of the initially dry anode, a fast capillary pressure driven flow is observed into the anode from which we are able to set a lower bound on the permeability of 10 -1 mDarcy. The transport into the cathode is diffusion-limited because the cathode originally contained some electrolyte before activation. Finally, using a transient one-dimensional diffusion model, we estimate the tortuosity of the cathode electrode to be 2.8 ± 0.8.

25 ENERGY STORAGE↗
DOE OSTI2022

Double Paddle‐Wheel Enhanced Sodium Ion Conduction in an Antiperovskite Solid Electrolyte

Abstract Antiperovskite structure compounds (X 3 AB, where X is an alkali cation and A and B are anions) have the potential for highly correlated motion between the cation and a cluster anion on the A or B site. This so‐called “paddle‐wheel” mechanism may be the basis for enhanced cation mobility in solid electrolytes. Through combined experiments and modeling, the first instance of a double paddle‐wheel mechanism, leading to fast sodium ion conduction in the antiperovskite Na 3− x O 1− x (NH 2 ) x (BH 4 ), is shown. As the concentration of amide (NH 2 − ) cluster anions is increased, large positive deviations in ionic conductivity above that predicted from a vacancy diffusion model are observed. Using electrochemical impedance spectroscopy, powder X‐ray diffraction, synchrotron X‐ray diffraction, neutron diffraction, ab initio molecular dynamics simulations, and NMR, the cluster anion rotational dynamics are characterized and it is found that cation mobility is influenced by the rotation of both NH 2 − and BH 4 − species, resulting in sodium ion conductivity a factor of 10 2 higher at x = 1 than expected for the vacancy mechanism alone. Generalization of this phenomenon to other compounds could accelerate fast ion conductor exploration and design.

25 ENERGY STORAGE↗
DOE OSTI2020

Reducing dielectric loss and enhancing electrical insulation for multilayer polymer films by nanoconfined ion transport under high poling electric fields

High temperature polar polymers have demonstrated potential for good thermal stability and high dielectric constant at the same time. However, polarization of contaminated impurity ions in polar polymers, even at the ppm level, can significantly increase the dielectric loss at high temperature and low frequencies. One effective strategy to mitigate this problem is to multilayer them with a high temperature nonpolar dielectric polymer to confine impurity ion transport at the nanometer scale. In this study, confined ion transport in high temperature polycarbonate (HTPC)/poly(vinylidene fluoride) (PVDF) multilayer films under high AC electric fields was studied using a direct analytical simulation method. Different from the ion transport under low fields, the ion diffusion model failed to describe the ion transport under high electric fields. An exponential ion distribution profile, which was observed for the DC poling situation, was employed to implement the direct analytical simulation. Confined impurity ion transport under high AC fields was quantitatively understood. As the AC field increased, the mobile ion concentration decreased whereas the diffusion coefficient increased. The decrease of mobile ion concentration was explained by the blockage of impurity ions by the HTPC layers. This knowledge helped in the determination of optimal conditions to polarize impurity ions from the PVDF layers into the HTPC layers. After cooling below the glass transition temperature of HTPC, polarized impurity ions were locked inside the HTPC layers. As a result, increased discharge efficiency and enhanced electrical insulation (i.e., increased dielectric breakdown strength) were achieved for the polarized multilayer films.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Newberry EGS Demonstration: Phase 2.2 Report

The Newberry Volcano EGS Demonstration is a five year field project designed to demonstrate recent technological advances for engineered geothermal systems (EGS) development. Advances in reservoir stimulation, diverter, and monitoring are being tested in a hot (>300 ºC), dry well (NWG 55-29) drilled in 2008. In the fall of 2014, 9,500m3 (2.5 million gallons) of groundwater were injected at a maximum wellhead pressure of 195 bar (2850 psi) over 4 weeks of hydraulic stimulation. Injectivity changes, thermal profiles and seismicity indicate that fracture permeability in well NWG 55-29 was enhanced. The fifteen-station microseismic array (MSA) located 398 seismic events, ranging in magnitude from M 0 to M 2.26. The next step is to drill a production well into the EGS reservoir. Advanced analysis of the microseismic data including hand picking of first arrivals, moment tensors, relative relocations, and velocity model improvements have resulted new higher-quality microseismic catalogs. These catalogs have been combined by relative weighting and gridding of seismic densities, resulting in probability-based maps and cross-sections, which have been used to plan a production well trajectory. The microseismic locations and times were also used to develop a reservoir diffusivity model, which can be used to evaluate stimulation plans such as dual-well stimulation.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Performance characterization of nanofiltration, reverse osmosis, and ion exchange technologies for acetic acid separation

A major obstacle to widespread implementation of bio-based fuels and chemicals is the lack of efficient and costeffective separation methods. To purify acetic acid produced by biochemical conversion of biomass via anaerobic digestion, this work employs two commonly used separation technologies: (1) ion-exchange (IX) resin and (2) pressure-driven membranes. This study tested five commercially available strong- and weak-base anion-exchange resins and five commercially available nanofiltration (NF) and reverse osmosis (RO) membranes. The pH of the feed solution significantly affected adsorption capacity. At pH 6.3, a strong-base IX resin (IRN-78) performed best (95.1% acetate removal). With strong-base IX resins, the Langmuir isotherm model fit well, whereas for weak-base IX resins, the Freundlich isotherm provided a better fit. A pseudo-second-order kinetic model fit well for both IRN-78 and IRA-67. Regarding membrane separation, RO (BW30XFR membrane) achieved the highest rejection (98.6% acetate rejection), whereas an NF membrane (NF*) achieved the best combination of permeate flux (105 L/(h∙m 2 )) and rejection (83.1% acetate rejection). For membrane performance, the experimental data were fit using the solution diffusion model. Increased pH in the feed solution lowered permeate flux but increased acetic acid rejection. Finally, then the acetic acid concentration in the feed solution increased, both permeate flux and acetic acid rejection decreased for membrane NF*.

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

Accumulation of Antifreeze Proteins on Ice Is Determined by Adsorption

Antifreeze proteins (AFPs) enable the survival of organisms in freezing environments by binding to ice crystals and suppressing their growth. The rate at which AFPs accumulate on ice is determined by an interplay between their diffusion from the aqueous solution and their adsorption to the ice crystal. To interrogate the relative importance of these two processes, we combined fluorescence experiments with reaction–diffusion modeling. We found that as AFPs accumulate on ice, their concentration in the aqueous solution does not develop a gradient but remains equal to its bulk concentration throughout our experiments. Furthermore, these findings led us to conclude that AFP accumulation on ice crystals, which are smaller than 100 μm in radius, is not limited by the diffusion of AFPs, but by the kinetics of AFP adsorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Development of morphogen gradient: The role of dimension and discreteness

The fundamental processes of biological development are governed by multiple signaling molecules that create non-uniform concentration profiles known as morphogen gradients. It is widely believed that the establishment of morphogen gradients is a result of complex processes that involve diffusion and degradation of locally produced signaling molecules. We developed a multi-dimensional discrete-state stochastic approach for investigating the corresponding reaction-diffusion models. It provided a full analytical description for stationary profiles and for important dynamic properties such as local accumulation times, variances, and mean first-passage times. The role of discreteness in developing of morphogen gradients is analyzed by comparing with available continuum descriptions. It is found that the continuum models prediction about multiple time scales near the source region in two-dimensional and three-dimensional systems is not supported in our analysis. Using ideas that view the degradation process as an effective potential, the effect of dimensionality on establishment of morphogen gradients is also discussed. In addition, we investigated how these reaction-diffusion processes are modified with changing the size of the source region.

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

From disorganized data to emergent dynamic models: Questionnaires to partial differential equations

Starting with sets of disorganized observations of spatially varying and temporally evolving systems, obtained at different (also disorganized) sets of parameters, we demonstrate the data-driven derivation of parameter dependent, evolutionary partial differential equation (PDE) models capable of generating the data. This tensor type of data is reminiscent of shuffled (multidimensional) puzzle tiles. The independent variables for the evolution equations (their “space” and “time”) as well as their effective parameters are all emergent , i.e. determined in a data-driven way from our disorganized observations of behavior in them. We use a diffusion map based questionnaire approach to build a smooth parametrization of our emergent space/time/parameter space for the data. This approach iteratively processes the data by successively observing them on the “space,” the “time” and the “parameter” axes of a tensor. Once the data become organized, we use machine learning (here, neural networks) to approximate the operators governing the evolution equations in this emergent space. Our illustrative examples are based (i) on a simple advection–diffusion model; (ii) on a previously developed vertex-plus-signaling model of Drosophila embryonic development; and (iii) on two complex dynamic network models (one neuronal and one coupled oscillator model) for which no obvious smooth embedding geometry is known a priori. This allows us to discuss features of the process like symmetry breaking, translational invariance, and autonomousness of the emergent PDE model, as well as its interpretability.

generative models↗
DOE OSTI2016

Phase space effects on fast ion distribution function modeling in tokamaks

Integrated simulations of tokamak discharges typically rely on classical physics to model energetic particle (EP) dynamics. However, there are numerous cases in which energetic particles can suffer additional transport that is not classical in nature. Examples include transport by applied 3D magnetic perturbations and, more notably, by plasma instabilities. Focusing on the effects of instabilities, ad-hoc models can empirically reproduce increased transport, but the choice of transport coefficients is usually somehow arbitrary. New approaches based on physics-based reduced models are being developed to address those issues in a simplified way, while retaining a more correct treatment of resonant wave-particle interactions. The kick model implemented in the tokamak transport code TRANSP is an example of such reduced models. It includes modifications of the EP distribution by instabilities in real and velocity space, retaining correlations between transport in energy and space typical of resonant EP transport. The relevance of EP phase space modifications by instabilities is first discussed in terms of predicted fast ion distribution. Results are compared with those from a simple, ad-hoc diffusive model. It is then shown that the phase-space resolved model can also provide additional insight into important issues such as internal consistency of the simulations and mode stability through the analysis of the power exchanged between energetic particles and the instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Modelling Tritium Production and Release at High-Energy Proton Accelerators

Tritium is a well-known byproduct of particle accelerator operations. To keep levels of tritium below regulatory limits, tritium production is actively monitored and managed at Fermilab. We plan to study tritium production in the targets, beamline components, and shielding elements of the Fermilab facilities such as NuMI, BNB, and MI-65. To facilitate the analysis, we construct a simple model and use three Monte Carlo radiation codes, FLUKA, MARS, and PHITS, to estimate the amount of tritium produced in these facilities. The analysis could also serve as an intercomparison between these code results related to tritium production. To assess the actual amounts of tritium that would be released from various materials, we employ a semi-empirical diffusion model. The results of this analysis are compared to experimental data whenever possible. This approach also helps to optimize proposed target materials with respect to the tritium production and release.

Georgobiani, Dali [Fermilab]↗
NASA NTRS2009

New Results from Fermi-LAT and Their Implications for the Nature of Dark Matter and the Origin of Cosmic Rays

The measured spectrum is compatible with a power law within our current systematic errors. The spectral index (-3.04) is harder than expected from previous experiments and simple theoretical considerations. "Pre-Fermi" diffusive model requires a harder electron injection spectrum (by 0.12) to fit the Fermi data, but inconsistent with positron excess reported by Pamela if it extends to higher energy. Additional component of electron flux from local source(s) may solve the problem; its origin, astrophysical or exotic, is still unclear. Valuable contribution to the calculation of IC component of diffuse gamma radiation.

Moiseev, Alexander↗
DOE OSTI2014

Magneto-transport and microstructure of Co{sub 2}Fe(Ga{sub 0.5}Ge{sub 0.5})/Cu lateral spin valves prepared by top-down microfabrication process

Heusler alloy-based lateral spin valves with ohmic contacts are prepared for the Co{sub 2}Fe(Ga{sub 0.5}Ge{sub 0.5})/Cu system by means of the top-down microfabrication process. The magneto-transport and microstructure are characterized to investigate the influence of the microfabrication route on the spin dependent transport of lateral spin valves systematically. A large non-local spin signal (△R{sub S}) of 17.3 mΩ is observed at room temperature, which is attributed to the highly spin-polarized Co{sub 2}Fe(Ga{sub 0.5}Ge{sub 0.5}) ferromagnet and the clean Co{sub 2}Fe(Ga{sub 0.5}Ge{sub 0.5})/Cu interfaces confirmed by transmission electron microscopy. Based on the general expression of one-dimensional spin diffusion model, we discuss the importance of interfacial spin polarization in Heusler alloy-based lateral spin valves.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗