Results for “Conditional rate functions” — Page 81

DOE OSTI2017

Uncertainty and Sensitivity Analysis of TREAT Transient Test #15

The U.S. Department of Energy (DOE) is preparing for the resumption of transient testing using the Transient Reactor Test Facility (TREAT) located at the Idaho National Laboratory (INL). In order to support the analysis of TREAT operation and experiment planning, the MAMMOTH reactor physics team has recently begun development of uncertainty and sensitivity analysis for the TREAT core simulated via MAMMOTH. MAMMOTH is a high-fidelity three-dimensional transient multi-physics code developed at INL under the DOE-NE Advanced Modeling and Simulation program (NEAMS) [1]. This research is part of the development presenting some initial uncertainty and sensitivity analysis of TREAT Transient Test #15 [2]. In this summary, we employ the Sobol sampling strategy implemented in RAVEN [3] to efficiently perform the sensitivity and uncertainty analysis. The idea is using Sobol functional decomposition with generalized polynomial chaos (gPC) expansions to estimate the responses of interest [4]. The gPC coefficients are then computed via the spectral projection method with sparse grid approach. In addition, this strategy includes evaluation of the second or higher order sensitivity indices, allowing the study of interactions between several input variables. The principal focus of this analysis is to quantify the uncertainties in the total power and maximum fuel temperatures with respect to uncertainties in the initial transient conditions, such as rated power, fuel temperature, graphite fuel density and control rod boron concentration. In addition, both the first order and second order time-dependent sensitivity indices are computed and analyzed. The results show that the interactions between initial control rod boron concentration and the rated power will contribute at most 1% to the total uncertainty of the power peak.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2017

Impact of Boron Additions in Marginal Soils for Growth of Corn, Wheat, Soybean, and Switchgrass

Expansion of agricultural production in marginal or poor nutrient status soils would necessitate calibration of the various nutrients to support plant growth. Boron (B) is an important micronutrient required by plants for regulating many functions including seed and fruit development. Few studies have compared the effectiveness of different types (refined vs crushed ore) of B source on the growth of plants. We hypothesize that addition of refined granulated B fertilizer as well as granulated ores will increase plant available Ca and B in the marginal and sandy soils. A greenhouse experiment was carried out to mimic a poor soil condition, using potting media created by mixing 20 % potting mix and 80% sand. Nitrogen was applied at recommended rates. Pots were watered evenly throughout the growing season. Plant tissues were harvested, biomass recorded, dried and ground for analysis. There was no significant difference on biomass yield due to either rate or source. Here, the four B sources showed different rates of availability to corn, soybean, wheat and switchgrass. Highly soluble B source seems to be the effective among B sources. Etigran-21 was found to be toxic to soybean plants, most likely due to its high solubility.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Manufacturability of U{sub 3}Si{sub 2} and its high temperature oxidation behaviour

High density fuels, such as uranium silicide (U{sub 3}Si{sub 2}), are being considered alongside improved cladding materials to develop new fuels which are both economic to manufacture and demonstrate enhanced accident tolerance. Through a collaborative programme led by Westinghouse and involving national laboratories in the US and UK, efforts are being made to establish a viable route by which U{sub 3}Si{sub 2} can be manufactured and to test its suitability as a fuel. In the UK work has focused on routes to convert UF{sub 6} and UF{sub 4} to U{sub 3}Si{sub 2} directly, without needing to reduce the uranium to its metallic state. Experimental observations of reactions between UF{sub 4} and Si indicate the formation of a USi{sub 2-x} phase at a temperature of 1000 C. degrees, consistent with thermodynamic assessments. Work on the construction of a rig which will pass UF{sub 6} heated to 1000 C. degrees through a bed of finely divided Si powder, is also reported. At Westinghouse, U{sub 3}Si{sub 2} fabricated by the arc-melting process has been subjected to high temperature steam and synthetic air tests and the reaction rate measured as a function of temperature using differential scanning calorimetry. The rates are compared to UO{sub 2} and UN (Uranium mononitride). At Idaho National Laboratory irradiation testing of U{sub 3}Si{sub 2} fuel is in progress. Fuel specimens were prepared by conventional arc melting process to formulate the U{sub 3}Si{sub 2} followed by conventional powder metallurgy processes to create pellets. These irradiation tests are intended to help resolve questions concerning the swelling of U{sub 3}Si{sub 2} under conditions representative of LWR fuel. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2015

Evaluation of High Temperature Elastomers for Geothermal Wells

This report describes the extension of a performance screening study of elastomers for geothermal well applications. Elastomeric O-rings were subjected to compression while submerged in water at elevated temperatures and pressure to determine performance under more aggressive conditions. Following the experiment, the elastic moduli of the O-ring cross-sections were assessed for any changes which may affect O-ring function down-hole. All materials showed susceptibility to thermo-oxidative degradation at high temperatures and pressures. Type I FKM had the least amount of compression set of all materials tested at 150ºC while Kalrez FFKM O-rings had the least amount of edge hardening of all materials, regardless of aging temperature. Prior visual observation of materials aged in simulated environments revealed an unusual trend with EPDM and FEPM materials: the degradation and disintegration of these polymers in an oxidative thermal cycle environment, but the ability to maintain mechanical performance and shape during oxidative thermal cycling in the presence of steam. EPDM and FEPM were subjected to additional testing at SNL in order to better understand this aging anomaly. No abnormalities were observed in the chemical (oxidation rates, FTIR spectra, solvent uptake, gel content, and weight loss vs. temperature) or physical (modulus profiles) measurements that could explain the visually observed aging differences. SNL validated this observation through a secondary controlled aging test using only EPDM, where, once again, it was shown that thermo-oxidative conditions appear to cause more degradative damage (enhanced embrittlement) than did thermo-oxidative coupled with hydrolytic environments. From these data we conclude that water may favorably interfere with normal thermo-oxidative degradation processes via some type of inhibition pathway which has yet to be identified.

15 GEOTHERMAL ENERGY↗

DOE OSTI2021

Directed energy deposition additive manufacturing of functionally graded Al-W composites

Directed energy deposition using laser heat sources (DED-L) is a metal additive manufacturing method that can be used to fabricate functionally graded materials by feeding multiple powder streams directly into a laser-generated melt pool. Additionally, the composition can be spatially varied by independent control of the materials feed rates. DED-L additive manufacturing is used in this work to create continuously graded Al/W composites that span 0–55 vol% W in Al over length scales from 0.6 to 1.2 mm with individual layers on the order of 0.1 mm and powder particle sizes on the order of 10 µm. The obtained composition and thickness ranges are comparable to those typically achieved using conventional powder metallurgy approaches and enables fabrication of composites to be used as a high impedance graded density impactor (GDI) in dynamic ramp compression experiments to study matter under extreme conditions. DED-L additive manufacturing of a GDI presents an opportunity to reduce GDI fabrication time to less than a day compared to many weeks by conventional methods. It is also possible to scale the deposition by DED-L to essentially unlimited dimensions in the lateral directions, whereas conventional methods become limited.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Electron scattering by magnetosonic waves in the inner magnetosphere

Here, we investigate the importance of electron scattering by magnetosonic waves in the Earth’s inner magnetosphere. A statistical survey of the magnetosonic wave amplitude and wave frequency spectrum, as a function of geomagnetic activity, is performed using the Van Allen Probes wave measurements and is found to be generally consistent with the wave distribution obtained from previous spacecraft missions. Outside the plasmapause the statistical frequency distribution of magnetosonic waves follows the variation of the lower hybrid resonance frequency, but this trend is not observed inside the plasmasphere. Drift and bounce averaged electron diffusion rates due to magnetosonic waves are calculated using a recently developed analytical formula. The resulting timescale of electron energization during disturbed conditions (when AE* > 300 nT) is more than 10 days. We perform a 2-D simulation of the electron phase space density evolution due to magnetosonic wave scattering during disturbed conditions. Outside the plasmapause, the waves accelerate electrons with pitch angles between 50° and 70° and form butterfly pitch angle distributions at energies from ~100 keV to a few MeV over a timescale of several days; whereas inside the plasmapause, the electron acceleration is very weak. Our study suggests that intense magnetosonic waves may cause the butterfly distribution of radiation belt electrons especially outside the plasmapause, but electron acceleration due to magnetosonic waves is generally not as effective as chorus wave acceleration.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Benchmark of the KGMf with a coupled Boltzmann equation solver

The Kinetic Global Model framework (KGMf) is an open-source general-purpose global model (spatially averaged) simulation code developed to explore the reaction kinetics and pathways in plasma discharge systems. It contains species continuity and electron energy balance equations, with a time-dependent evaluated electron energy distribution function (EEDF) for electron impact reactions. The EEDF is utilized to determine the rate coefficients for electron impact reactions, which can have profound impact on the temporal evolutions of plasma parameters. Previously, the EEDF was commonly assumed as Maxwellian or an analytical function of the effective electron temperature. In this work, the KGMf is coupled with a Boltzmann equation (BE) solver to self-consistently compute the EEDF. The EEDF evolution frequency is determined based on relative changes of the reduced electric field. The KGMf is benchmarked with the ZDPlasKin code based on high-pressure low-temperature argon plasma discharge cases. Additionally, the temporal evolutions of reduced electric field, electron temperature, EEDF, reaction rates, and species densities, are obtained and compared under different discharge conditions, showing good agreement between the KGMf and the ZDPlasKin simulations. The application of the KGMf for predicting breakdown times in high power microwave discharges is also presented, which shows qualitative agreement with particle-in-cell simulations. The KGMf can be further applied for more complicated plasma discharge systems, where the reaction kinetics are more intricate (e.g., plasma-assisted combustion systems).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Layer-by-layer epitaxial growth of defect-engineered strontium cobaltites

Here, control over structure and composition of (ABO 3 ) perovskite oxides offers exciting opportunities since these materials possess unique, tunable properties. Perovskite oxides with cobalt B-site cations are particularly promising, as the range of the cation’s stable oxidation states leads to many possible structural frameworks. Here, we report growth of strontium cobalt oxide thin films by molecular beam epitaxy, and conditions necessary to stabilize different defect concentration phases. In situ X-ray scattering is used to monitor structural evolution during growth, while in situ X-ray absorption near-edge spectroscopy is used to probe oxidation state and measure changes to oxygen vacancy concentration as a function of film thickness. Experimental results are compared to kinetically-limited thermodynamic predictions, in particular, solute trapping, with semi-quantitative agreement. Agreement between observations of dependence of cobaltite phase on oxidation activity and deposition rate, and predictions indicates that a combined experimental/theoretical approach is key to understanding phase behavior in the strontium cobalt oxide system.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Trapped energetic electron driven modes with second stable regime in tokamak plasmas

Features of fishbone-like trapped energetic electrons driven modes (TEEMs), which are a particular manifestation of the fishbone gap modes, are investigated taking into account model radial profile and the pitch angle distribution of the energetic electrons (EEs). The TEEMs are found unstable only when the beta values of EEs β{sub h} (=pressure of the energetic electrons/pressure of magnetic field) are higher than certain critical values which are proportional to perturbed energy δW{sup ^}{sub c} of background plasma and much lower than that for traditional fishbone modes. In addition, TEEMs become stable again and enter a second stable regime when β{sub h} values are higher than second critical values. Furthermore, the modes can only be excited in plasmas which are stable for MHD instabilities. The real frequency and growth rate of the modes are approximately linear and parabolic functions of β{sub h}, respectively. The real frequency is very low but not zero in the vicinity of lower beta region, whereas it is comparable to the toroidal precession frequency of the EEs in higher critical beta region. The numerical results show that the second stable regime is easy to form when q = 1 flux surface is close to the magnetic axis. Suitable density gradient of EEs and magnetic shear are other two necessary conditions for excitation of the TEEMs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Diamond neutral particle spectrometer for fusion reactor ITER

A compact diamond neutral particle spectrometer with digital signal processing has been developed for fast charge-exchange atoms and neutrons measurements at ITER fusion reactor conditions. This spectrometer will play supplementary role for Neutral Particle Analyzer providing 10 ms time and 30 keV energy resolutions for fast particle spectra in non-tritium ITER phase. These data will also be implemented for independent studies of fast ions distribution function evolution in various plasma scenarios with the formation of a single fraction of high-energy ions. In tritium ITER phase the DNPS will measure 14 MeV neutrons spectra. The spectrometer with digital signal processing can operate at peak counting rates reaching a value of 10{sup 6} cps. Diamond neutral particle spectrometer is applicable to future fusion reactors due to its high radiation hardness, fast response and high energy resolution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Numerical Simulations of Time-Resolved Photoluminescence in CdSexTe1-x/CdTe Solar Cells

We present initial time-resolved photoluminescence (TRPL) simulations in graded CdSexTe1-e thin-film solar cells to quantify the front-interface recombination velocity, S int,front . Our model includes several composition dependences: bandgap energy, absorption coefficient, electron affinity, and carrier lifetime. Cathodoluminescence spectrum imaging measurements on bevels provide an estimate of the bandgap and the CdSe x Te 1-x alloy composition through the absorber thickness. TRPL decays are simulated as a function of the laser power, S int,front , front-interface band offset, and bulk Shockley-Read-Hall lifetime. We find the impact of S intf,ront on the PL decay increases as the band offset shifts from a "spike" to a "cliff". Recombination rate analysis shows that back-interface recombination could potentially dictate the later part of the TRPL decay "t 2" in high-lifetime CdSe x Te 1-x cells. We briefly discuss ongoing work to determine TRPL measurement conditions that maximize sensitivity to S itnt,front.

CdTe solar cells↗

DOE OSTI2016

Study of Fast Instability in Fermilab Recycler

One of the factors which may limit the intensity in the Fermilab Recycler is a fast transverse instability. It develops within a hundred turns and, in certain conditions, may lead to a beam loss. Various peculiar features of the instability: its occurrence only above a certain intensity threshold, and only in horizontal plane, as well as the rate of the instability, suggest that its cause is electron cloud. We studied the phenomena by observing the dynamics of stable and unstable beam. We found that beam motion can be stabilized by a clearing bunch, which confirms the electron cloud nature of the instability. The findings suggest electron cloud trapping in Recycler combined function mag-nets. Bunch-by-bunch measurements of betatron tune show a tune shift towards the end of the bunch train and allow the estimation of the density of electron cloud and the rate of its build-up. The experimental results are in agreement with numerical simulations of electron cloud build-up and its interaction with the beam.

43 PARTICLE ACCELERATORS↗

NASA NTRS1972

Predicting spacecraft self-contamination in space and in a test chamber

The self-contamination of a spacecraft, defined as the return and deposition of outgassed molecules on its critical surfaces, was investigaed. Theoretical relations for the flux, density, and pressure of the emitted gas as a function of altitude, radius, and distance from the spacecraft surface were developed. The flux of these outgassed molecules which return to the emitting surface was also obtained and shown to be dependent on altitude, dimensions, and on the magnitude of outgassing. The rate of condensation and the time for the formation of a monolayer of the returning molecules can be calculated. The self-contamination of a spacecraft undergoing vacuum chamber test was also analyzed and compared to the equivalent parameters for the orbital conditions.

Scialdone, J. J.↗

NASA NTRSDate not supplied

A Dynamic Testing Approach for Particulate Erosion–Corrosion for Gas Turbine Coatings

Particle interactions in gas turbine engines can be multicomponent, complex phenomena leading to the degradation of thermal (TBCs) and environmental barrier coatings (EBCs) meant to protect engine components. Ingestion of particles into the engine can lead to recession of coatings due to particle erosion. Similarly, these same particles can become molten, adhere to coatings and result in thermochemical corrosion of coating materials. Particle erosion testing is often carried out where the particles are injected into a gas stream, accelerated within a nozzle, and impinge on sample. Conversely, most molten particle corrosion testing is often done in static laboratory furnaces, which does not capture the dynamic nature of deposition in application. Nevertheless, these damage mechanisms are often tested separately and no single standard exists to test both erosive and corrosive particle interactions with coating materials under relevant operating conditions for gas turbine engines. Understanding the synergies of particle interactions in engines is crucial in determining operating lifetimes of potential coating materials. Such considerations emphasize the need for realistic approaches in standardizing particle interaction testing in combustion environments. The current study outlines initial efforts at NASA Glenn’s Erosion Burner Rig Facility in improving dynamic erosion/corrosion testing methods by assessing the durability of state-of-the-art (SOA) TBC material 7 wt.% yttria stabilized zirconia (7YSZ) as a function of particle deposition rate, burner temperature, and particle size. Calibration data to determine particle deposition rate will be presented, and mass and optical profilometry measurements were utilized to estimate mass/volume loss versus deposition per increment of particulate used over time. Electron microscopy analyses were then carried out to assess coating damage after testing.

TBC↗

NASA NTRSDate not supplied

A Dynamic Testing Approach for Particulate Erosion–Corrosion for Gas Turbine Coatings

Particle interactions in gas turbine engines can be multicomponent, complex phenomena leading to the degradation of thermal (TBCs) and environmental barrier coatings (EBCs) meant to protect engine components. Ingestion of particles into the engine can lead to recession of coatings due to particle erosion. Similarly, these same particles can become molten, adhere to coatings and result in thermochemical corrosion of coating materials. Particle erosion testing is often carried out where the particles are injected into a gas stream, accelerated within a nozzle, and impinge on sample. Conversely, most molten particle corrosion testing is often done in static laboratory furnaces, which does not capture the dynamic nature of deposition in application. Nevertheless, these damage mechanisms are often tested separately and no single standard exists to test both erosive and corrosive particle interactions with coating materials under relevant operating conditions for gas turbine engines. Understanding the synergies of particle interactions in engines is crucial in determining operating lifetimes of potential coating materials. Such considerations emphasize the need for realistic approaches in standardizing particle interaction testing in combustion environments. The current study outlines initial efforts at NASA Glenn’s Erosion Burner Rig Facility in improving dynamic erosion/corrosion testing methods by assessing the durability of state-of-the-art (SOA) TBC material 7 wt.% yttria stabilized zirconia (7YSZ) as a function of particle deposition rate, burner temperature, and particle size. Calibration data to determine particle deposition rate will be presented, and mass and optical profilometry measurements were utilized to estimate mass/volume loss versus deposition per increment of particulate used over time. Electron microscopy analyses were then carried out to assess coating damage after testing.

TBC↗

NASA NTRSDate not supplied

A Dynamic Testing Approach for Particulate Erosion–Corrosion for Gas Turbine Coatings

Particle interactions in gas turbine engines can be multicomponent, complex phenomena leading to the degradation of thermal (TBCs) and environmental barrier coatings (EBCs) meant to protect engine components. Ingestion of particles into the engine can lead to recession of coatings due to particle erosion. Similarly, these same particles can become molten, adhere to coatings and result in thermochemical corrosion of coating materials. Particle erosion testing is often carried out where the particles are injected into a gas stream, accelerated within a nozzle, and impinge on sample. Conversely, most molten particle corrosion testing is often done in static laboratory furnaces, which does not capture the dynamic nature of deposition in application. Nevertheless, these damage mechanisms are often tested separately and no single standard exists to test both erosive and corrosive particle interactions with coating materials under relevant operating conditions for gas turbine engines. Understanding the synergies of particle interactions in engines is crucial in determining operating lifetimes of potential coating materials. Such considerations emphasize the need for realistic approaches in standardizing particle interaction testing in combustion environments. The current study outlines initial efforts at NASA Glenn’s Erosion Burner Rig Facility in improving dynamic erosion/corrosion testing methods by assessing the durability of state-of-the-art (SOA) TBC material 7 wt.% yttria stabilized zirconia (7YSZ) as a function of particle deposition rate, burner temperature, and particle size. Calibration data to determine particle deposition rate will be presented, and mass and optical profilometry measurements were utilized to estimate mass/volume loss versus deposition per increment of particulate used over time. Electron microscopy analyses were then carried out to assess coating damage after testing.

burner rig↗

DOE OSTI2014

Localized electron transfer rates and microelectrode-based enrichment of microbial communities within a phototrophic microbial mat

Phototrophic microbial mats frequently exhibit sharp, light-dependent redox gradients that regulate microbial respiration on specific electron acceptors as a function of depth. In this work, a benthic phototrophic microbial mat from Hot Lake, a hypersaline, epsomitic lake located near Oroville in north-central Washington, was used to develop a microscale electrochemical method to study local electron transfer processes within the mat. To characterize the physicochemical variables influencing electron transfer, we initially quantified redox potential, pH, and dissolved oxygen gradients by depth in the mat under photic and aphotic conditions. We further demonstrated that power output of a mat fuel cell was light-dependent. To study local electron transfer processes, we deployed a microscale electrode (microelectrode) with tip size ~20 μm. To enrich a subset of microorganisms capable of interacting with the microelectrode, we anodically polarized the microelectrode at depth in the mat. Subsequently, to characterize the microelectrode- associated community and compare it to the neighboring mat community, we performed amplicon sequencing of the V1-V3 region of the 16S gene. Differences in Bray-Curtis beta diversity, illustrated by large changes in relative abundance at the phylum level, suggested successful enrichment of specific mat community members on the microelectrode surface. The microelectrode-associated community exhibited substantially reduced alpha diversity and elevated relative abundances of Prosthecochloris, Loktanella, Catellibacterium, other unclassified members of Rhodobacteraceae, Thiomicrospira, and Limnobacter, compared with the community at an equivalent depth in the mat. Our results suggest that local electron transfer to an anodically polarized microelectrode selected for a specific microbial population, with substantially more abundance and diversity of sulfur-oxidizing phylotypes compared with the neighboring mat community.

electron transfer↗

DOE OSTI2016

An a priori DNS study of the shadow-position mixing model

In this study, the modeling of mixing by molecular diffusion is a central aspect for transported probability density function (tPDF) methods. In this paper, the newly-proposed shadow position mixing model (SPMM) is examined, using a DNS database for a temporally evolving di-methyl ether slot jet flame. Two methods that invoke different levels of approximation are proposed to extract the shadow displacement (equivalent to shadow position) from the DNS database. An approach for a priori analysis of the mixing-model performance is developed. The shadow displacement is highly correlated with both mixture fraction and velocity, and the peak correlation coefficient of the shadow displacement and mixture fraction is higher than that of the shadow displacement and velocity. This suggests that the composition-space localness is reasonably well enforced by the model, with appropriate choices of model constants. The conditional diffusion of mixture fraction and major species from DNS and from SPMM are then compared, using mixing rates that are derived by matching the mixture fraction scalar dissipation rates. Good qualitative agreement is found, for the prediction of the locations of zero and maximum/minimum conditional diffusion locations for mixture fraction and individual species. Similar comparisons are performed for DNS and the IECM (interaction by exchange with the conditional mean) model. The agreement between SPMM and DNS is better than that between IECM and DNS, in terms of conditional diffusion iso-contour similarities and global normalized residual levels. It is found that a suitable value for the model constant c that controls the mixing frequency can be derived using the local normalized scalar variance, and that the model constant a controls the localness of the model. A higher-Reynolds-number test case is anticipated to be more appropriate to evaluate the mixing models, and stand-alone transported PDF simulations are required to more fully enforce localness and to assess model performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗