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DOE OSTI2023

Kernel Buffer Volume Fraction Margin of the AGR Designed Fuel Particle

Modeling results used to assess the fuel performance of the TRISO-coated fuel particles as a function of kernel/buffer volume fraction include SiC tangential stress, formation of the buffer/IPyC gap, particle temperature profile, internal particle pressure, fission gas released from the kernel, probability of fuel particle failure, and fission product diffusion. These results were evaluated at two burnup levels and irradiation temperatures to bound expected steady-state irradiation conditions. In general, increasing the kernel/buffer volume fraction increases the SiC stress and subsequently the failure probability of a fuel particle when compared to the AGR designed particle. There was little impact on the fission product diffusion through the particle as the kernel/buffer volume fraction increased.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1991

Thermal annealing of GaAs concentrator solar cells

Isochronal and isothermal annealing tests were performed on GaAs concentrator cells which were irradiated with electrons of various energies to fluences up to 1 x 10(exp 16) e/sq cm. The results include: (1) For cells irradiated with electrons from 0.7 to 2.3 MeV, recovery decreases with increasing electron energy. (2) As determined by the un-annealed fractions, isothermal and isochronal annealing produce the same recovery. Also, cells irradiated to 3 x 10(exp 15) or 1 x 10(exp 16) e/sq cm recover to similar un-annealed fractions. (3) Some significant annealing is being seen at 150 C although very long times are required.

Curtis, H. B.↗

NASA NTRS1991

Annealing characteristics of amorphous silicon alloy solar cells irradiated with 1.00 MeV protons

Amorphous Si:H and amorphous Si sub x, Ge sub (1-x):H solar cells were irradiated with 1.00 MeV proton fluences in the range of 1.00E14 to 1.25E15 cm (exp -2). Annealing of the short circuit current density was studied at 0, 22, 50, 100, and 150 C. Annealing times ranged from an hour to several days. The measurements confirmed that annealing occurs at 0 C and the initial characteristics of the cells are restored by annealing at 200 C. The rate of annealing does not appear to follow a simple nth order reaction rate model. Calculations of the short-circuit current density using quantum efficiency measurements and the standard AM1.5 global spectrum compare favorably with measured values. It is proposed that the degradation in J sub sc with irradiation is due to carrier recombination through the fraction of D (o) states bounded by the quasi-Fermi energies. The time dependence of the rate of annealing of J sub sc does appear to be consistent with the interpretation that there is a thermally activated dispersive transport mechanism which leads to the passivation of the irradiation induced defects.

Abdulaziz, Salman S.↗

DOE OSTI2021

AGR-5/6/7 Irradiation As Run Predictions Using PARFUME

The PARticle FUel ModEl (PARFUME), a fuel performance modeling code used for high-temperature gas-cooled reactors, was used to model the Advanced Gas Reactor (AGR)-5/6/7 irradiation test using as-run physics and thermal data. The AGR-5/6/7 irradiation test consists of the combined fifth, sixth, and seventh planned irradiations of the AGR Fuel Development and Qualification Program. The AGR-5/6/7 test train is a multi-capsule, instrumented experiment that is designed for irradiation in the 133.4-mm diameter northeast flux trap position of the Advanced Test Reactor (ATR) at Idaho National Laboratory. Each capsule contains compacts filled with uranium oxycarbide unaltered fuel particles. This report documents the calculations performed to predict the failure probability of tristructural isotropic (TRISO)-coated fuel particles during the AGR-5/6/7 experiment. In addition, this report documents the calculated fission product release fraction from the fuel. The calculations include modeling of the AGR 5/6/7 irradiation that occurred from February 2018 to July 2020 over nine ATR cycles, including six normal cycles and three power axial locator mechanism cycles, for a total of approximately 376 effective full power days (EFPD). The irradiation conditions and material properties of the AGR-5/6/7 test predicted zero fuel particle failures in Capsules 1, 3, and 4. Fuel particle failures were predicted in two of the compacts in Capsule 2 and one particle failure is predicted in each one of the compacts in Capsule 5. All compacts that exhibited fuel particle failures predicted by PARFUME were caused by localized stress concentrations in the silicon carbide (SiC) layer caused by cracking in the inner pyrolytic (IPyC) layer. In addition, shrinkage of the buffer and IPyC layer during irradiation resulted in formation of a buffer-IPyC gap. Compacts with a lower irradiation temperature and fluence experienced the smallest buffer-IPyC gap formation. Conversely, higher irradiated temperature compacts with a high fluence experienced the largest buffer-IPyC gap formation. Compact 3-6-3 experienced the largest buffer IPyC gap formation of just under 21.7 µm. The release fraction of fission products silver (Ag), cesium (Cs), and strontium (Sr) vary depending on capsule location and irradiation temperature. The maximum release fraction of Ag occurs in Capsule 3, reaching up to 59.5% for the TRISO fuel particles (compact 3-6-3). The release fraction of the other two fission products, Cs and Sr, are much smaller. A maximum Cs release fraction of 1.1% occurred in compact 3-4-3 and 4.4% for Sr in compact 3-6-3.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Using lifetime of point defects for dislocation bias in bcc Fe

The interaction between dislocations and point defects is key to deformation processes and microstructural evolution of structural materials. In this work, we compute the lifetime of point defects to describe their interaction with dislocations. This approach can accurately account for the effects of the dislocation core and anisotropic defect dynamics to accumulatively determine the capture efficiency, sink strength, and dislocation bias at different temperatures and dislocation densities. Particularly, the absorption of point defects by straight screw and edge dislocations in a model bcc iron system is studied. The maximum swelling rates based on the obtained bias factors are in close agreement with a variety of experimental measurements, including both neutron and ion-irradiation data, especially when considering the survival fraction for point defects from displacement cascades. Further, this approach applies to many other processes and sinks, such as dislocation loops and interfaces, providing a powerful means to develop fundamental insights critical for improving radiation resistance and mechanical properties of structural materials through controlling defect interaction and evolution.

36 MATERIALS SCIENCE↗

DOE OSTI2021

An efficient method to identify uncertainties of WRF-Solar variables in forecasting solar irradiance using a tangent linear sensitivity analysis

Uncertainty in predicting solar energy resources introduces major challenges in power system management and necessitates the development of reliable probabilistic solar forecasts. As the first part of the development of probabilistic forecasts based on the Weather Research and Forecasting model with solar extensions (WRF-Solar), this study presents a tangent linear approach to identify input variables responsible for the largest uncertainties in predicting surface solar irradiance and clouds. A tangent linear analysis is capable of efficiently investigating sensitivities of output variables with respect to various input variables of WRF-Solar because this approach avoids the computational burden of perturbing the initial conditions of individual input variables. We develop tangent linear models (TLMs) for six WRF-Solar physics packages that control the formation and dissipation of clouds and solar radiation, and we evaluate the validity of TLMs using a linearity test. The tangent linear sensitivity analysis is conducted under various scenarios based on satellite observations and model simulations to consider realistic input conditions. A simple method is used to quantify the impact of the uncertainty of input variables on the output variables from the TLMs. The results demonstrate that uncertainties in the output variables that are the focus of this study—including global horizontal irradiance, direct normal irradiance, cloud mixing ratio, cloud tendency, cloud fraction, and sensible and latent heat fluxes—are highly sensitive to uncertainties in 14 input variables. This study indicates that the tangent linear method can identify key variables of physics modules in WRF-Solar that can be stochastically perturbed to generate ensemble-based probabilistic forecasts.

14 SOLAR ENERGY↗

NASA NTRS1974

Radiation effects control: Eyes, skin

Adverse effects on the lens of the eye and the skin due to exposure to proton radiation during manned space flight were evaluated. Actual proton irradiation which might be encountered in space was simulated. Irradiation regimes included single acute exposures, daily fractionated exposures, and weekly fractionated exposures. Animals were exposed and then maintained and examined periodically until data sufficient to meet the objective were obtained. No significant skin effects were noted and no serious sight impairment was exhibited.

Hightower, D.↗

NASA NTRS1995

Physics of systems containing neutron stars

This grant deals with several topics related to the dynamics of systems containing a compact object. Most of our research in 1994 dealt with systems containing Neutron Stars (NS's), but we also addressed systems containing a Black Hole (BH) or a White Dwarf (WD) in situations relevant to NS systems. Among the systems were isolated regular pulsars, Millisecond Pulsars (MSP's) that are either Single (SMP's) or in a binary (BMP's) Low Mass X-Ray Binaries (LMX's) and Cataclysmic Variables (CV's). We also dealt with one aspect of NS structure, namely NS superfluidity. A large fraction of our research dealt with irradiation-driven winds from companions. These winds turned out to be of some importance in the evolution of LMXB's and MSP's, be they SMP's or BMP's. While their role during LMXB evolution (i.e. during the accretion phase) is not yet clear, they may play an important role in turning BMP's into SMP's and also in bringing about the formation of planets around MSP's.

Shaham, Jacob↗

NASA NTRS1996

Physics of systems containing neutron stars

This grant dealt with several topics related to the dynamics of systems containing a compact object. Most of the research dealt with systems containing Neutron Stars (NS's), but a Black Hole (BH) or a White Dwarf (WD) in situations relevant to NS systems were also addressed. Among the systems were isolated regular pulsars, Millisecond Pulsars (MSP's) that are either Single (SMP's) or in a binary (BMP's), Low Mass X-Ray Binaries (LMXB's) and Cataclysmic Variables (CV's). Also dealt with was one aspect of NS structure, namely NS superfluidity. A large fraction of the research dealt with irradiation-driven winds from companions which turned out to be of importance in the evolution of LMXB's and MSP's, be they SMP's or BMP's. While their role during LMXB evolution (i.e. during the accretion phase) is not yet clear, they may play an important role in turning BMP's into SMP's and also in bringing about the formation of planets around MSP's. Work was concentrated on the following four problems: The Windy Pulsar B197+20 and its Evolution; Wind 'Echoes' in Tight Binaries; Post Nova X-ray Emission in CV's; and Dynamics of Pinned Superfluids in Neutron Stars.

Ruderman, Malvin↗

NASA NTRS2008

The Time Series Technique for Aerosol Retrievals over Land from MODIS: Algorithm MAIAC

Atmospheric aerosols interact with sun light by scattering and absorbing radiation. By changing irradiance of the Earth surface, modifying cloud fractional cover and microphysical properties and a number of other mechanisms, they affect the energy balance, hydrological cycle, and planetary climate [IPCC, 2007]. In many world regions there is a growing impact of aerosols on air quality and human health. The Earth Observing System [NASA, 1999] initiated high quality global Earth observations and operational aerosol retrievals over land. With the wide swath (2300 km) of MODIS instrument, the MODIS Dark Target algorithm [Kaufman et al., 1997; Remer et al., 2005; Levy et al., 2007] currently complemented with the Deep Blue method [Hsu et al., 2004] provides daily global view of planetary atmospheric aerosol. The MISR algorithm [Martonchik et al., 1998; Diner et al., 2005] makes high quality aerosol retrievals in 300 km swaths covering the globe in 8 days. With MODIS aerosol program being very successful, there are still several unresolved issues in the retrieval algorithms. The current processing is pixel-based and relies on a single-orbit data. Such an approach produces a single measurement for every pixel characterized by two main unknowns, aerosol optical thickness (AOT) and surface reflectance (SR). This lack of information constitutes a fundamental problem of the remote sensing which cannot be resolved without a priori information. For example, MODIS Dark Target algorithm makes spectral assumptions about surface reflectance, whereas the Deep Blue method uses ancillary global database of surface reflectance composed from minimal monthly measurements with Rayleigh correction. Both algorithms use Lambertian surface model. The surface-related assumptions in the aerosol retrievals may affect subsequent atmospheric correction in unintended way. For example, the Dark Target algorithm uses an empirical relationship to predict SR in the Blue (B3) and Red (B1) bands from the 2.1 m channel (B7) for the purpose of aerosol retrieval. Obviously, the subsequent atmospheric correction will produce the same SR in the red and blue bands as predicted, i.e. an empirical function of 2.1. In other words, the spectral, spatial and temporal variability of surface reflectance in the Blue and Red bands appears borrowed from band B7. This may have certain implications for the vegetation and global carbon analysis because the chlorophyll-sensing bands B1, B3 are effectively substituted in terms of variability by band B7, which is sensitive to the plant liquid water. This chapter describes a new recently developed generic aerosol-surface retrieval algorithm for MODIS. The Multi-Angle Implementation of Atmospheric Correction (MAIAC) algorithm simultaneously retrieves AOT and surface bi-directional reflection factor (BRF) using the time series of MODIS measurements.

Lyapustin, Alexei↗

DOE OSTI2023

Organosulfur Aerosols Likely Carried Sulfur MIF Signatures in the Early Earth’s Atmosphere

Signatures of mass-independent fractionation (MIF) of sulfur in Archean sulfide and sulfate minerals are widely thought to record an anoxic early Earth’s atmosphere. While experiments of ultraviolet irradiation of SO 2 produce significant sulfur mass-independent fractionation (S-MIF) in reaction products (elemental sulfur and residual sulfur dioxide), they have not been able to reproduce the isotope patterns, in particular Δ 36 S/Δ 33 S ratios, observed in the geologic rock record. Studies that focused on organic sulfur gases and hazes in Archean did not report organosulfur aerosol photoproducts as major contributors to Archean S-MIF chemistry. Here we show, for the first time, that photochemical reactions of SO 2 in the presence of gaseous hydrocarbons (CH 4 , C 2 H 2 , and C 2 H 4 ) produce haze-like organosulfur aerosols bearing S-MIF with variable Δ 36 S/Δ 33 S ratios. The isotope trends for the organosulfur photoproducts produced in our experiments suggest that in addition to elemental sulfur, organosulfur compounds—in particular methanesulfonic acid—are a key component of S-MIF signals from the atmosphere to the ocean and sediments with possible links to Archean atmosphere warmed by a methane greenhouse.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Revealing a Pathway for Low-Temperature Recrystallization in Germanium

Thermally activated annealing in semiconductors faces inherent limitations, such as dopant diffusion. Here, a nonthermal pathway is demonstrated for a complete structural restoration in predamaged germanium via ionization-induced recovery. By combining experiments and modeling, this study reveals that the energy transfer of only 2.4 keV nm −1 from incident ions to target electrons can effectively annihilate pre-existing defects and restore the original crystalline structure at room temperature. Moreover, it is revealed that the irradiation-induced crystalline-to-amorphous (c/a) transformation in Ge is reversible, a phenomenon previously considered unattainable without additional thermal energy imposed during irradiation. For partially damaged Ge, the overall damage fraction decreases exponentially with increasing fluence. Surprisingly, the recovery process in preamorphized Ge starts with defect recovery outside the amorphous layer and a shrinkage of the amorphous thickness. After this initial stage, the remaining damage decreases slowly with increasing fluence, but full restoration of the pristine state is not achieved. These differences in recovery are interpreted in the framework of structural differences in the initial defective layers that affect recovery kinetics. This study provides new insights on reversing the c/a transformation in Ge using highly-ionizing irradiation and has broad implications across materials science, radiation damage mitigation, and fabrication of Ge-based devices.

athermal recovery↗

NASA NTRS1983

Electron Transport in Paracoccus Halodenitrificans and the Role of Ubiquinone

The membrane-bound NADH oxidase of Paracoccus halodenitrificans was inhibited by dicoumarol, 2-n-heptyl-4-hydroxyquinoline-N-oxide (HQNO), and exposure to ultraviolet light (at 366 nm). When the membranes were extracted with n-pentane, NADH oxidase activity was lost. Partial restoration was achieved by adding the ubiquinone fraction extracted from the membranes. Succinate oxidation was not inhibited by dicoumarol or HQNO but was affected by ultraviolet irradiation or n-pentane extraction. However, the addition of the ubiquinone fraction to the n-pentane-extracted membranes did not restore enzyme activity. These observations suggested the reducing equivalents from succinate entered the respiratory chain on the oxygen side of the HQNO-sensitive site and probably did not proceed through a quinone.

Hochstein, L. I.↗

NASA NTRS1984

Electron transport in Paracoccus halodenitrificans and the role of Ubiquinone

Hochstein, L. I.↗

DOE OSTI2022

Chemical Thermodynamic Modeling of Molten Salts to Support Off-Gas Abatement Systems

The reprocessing of used nuclear fuel by any means will liberate gaseous fission products, such as hydrogen ( 3 H), carbon ( 14 C), noble gases ( 85 Kr), and halogens ( 129 I), from the irradiated fuel. These elements will distribute through chemical processing operations and partition into process off-gas streams, and the specific volatile release fractions will be dictated by the chemical and physical properties of the system. A recent assessment found that there were significant knowledge gaps regarding the release quantities of volatile radionuclides from individual unit operations. These knowledge gaps limited the ability to determine what dedicated off-gas treatment technologies could be required for electrochemical-based reprocessing facilities. Unfortunately, experimental efforts to quantify release fractions are limited by the challenges associated with performing experiments using irradiated fuel. This report documents preliminary thermodynamic predictions of iodine and tritium release from chloride-based molten salts as part of an effort to better direct resources toward those experiments (both simulant and irradiated) that will be of the greatest impact. It was predicted that less than 0.5% of tritium was expected to be released and that nearly all of that amount would be released as H 2 . Thermochemical data for hydrogen (H 2 ) are of high fidelity, and no additional validation is recommended. Less than 0.05% of iodine was predicted to be released, with the primary volatile species being Cs 2 I 2 . Unlike the tritium predictions, the data underpinning the iodine release predictions are of low quality. It is recommended that a limited experimental program be dedicated to expanding the current physical property and thermodynamic property data for iodine in electrochemical processing and molten salt conditions, including vapor pressure measurements for the dimerized species predicted to comprise the majority of iodine release. Validating and improving the thermodynamic properties used in predictive modeling can reduce the need for expensive testing with irradiated fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Thermal Stability and Ion Irradiation Response of Refined Grained V – 4Cr – 4Ti

Since the 1960’s, there has been interest in V-4Cr-4Ti and similar alloys as candidates for low activation structural materials for advanced nuclear reactors. V-4Cr-4Ti was produced using arc melting and subsequently subjected to large strain extrusion machining to produce a multimodal microstructure largely composed of nanocrystalline and ultrafine grain sizes. In-situ thermal stability of the multimodal V-4Cr-4Ti to 800 °C shows the formation of vanadium carbides with negligible grain growth. In-situ dual-beam 16 KeV He+ and 1 MeV Kr2+ ion irradiation performed at 700 °C to a final dose of ~5 displacements per atom show the formation of small He cavities well distributed throughout the system, with preferential clustering at grain boundaries. This work provides insight into how the increased fraction of grain boundaries affect the simultaneous dual beam ion irradiation response of multimodal V – 4 wt.% Cr – 4 wt.% Ti at elevated temperatures. Analysis of the cavities reveal an areal density of 0.024±0.007 cavities/nm2 and swelling of 0.236% after the dual-beam ion irradiation. Nanoindentation shows a ~50% increase in hardening after the ion irradiation at 700 °C.

TEM↗

NASA NTRS1992

Comparison of high-resolution solar irradiance spectra and the solar luminosity in the period 1980-1989

In this research, we aim to determine to what extent the solar irradiance changes measured through the 1980's from orbiting vehicles are accompanied by spectroscopic irradiance changes observable from the ground. We describe fractional changes in line absorption as 'blanketing'. In section 2, we briefly review results obtained in an earlier project and which have been published. Section 3 describes the data of this investigation; section 4 describes the data reduction; section 5 describes the observational results in terms of blanketing; and section 6 describes the interpretation of the measured changes. Section 7 contains an outline of possible uses for Doppler-shift data that emerges with the measurements of the blanketing variations. Section 8 is an outline for future research suggested by our results in this project.

Mitchell, Walter E., Jr.↗

DOE OSTI2020

Sensitivity Study for Forecasting Variables of WRF-Solar Using a Tangent Linear Approach

Integrating solar generation in recent years has highlighted the need for improved accuracy in predicting solar power. Confidence in solar power forecasting can be achieved by designing an ensemble that provides reliable probabilistic information for solar radiation with reduced uncertainty and error. Ideally, ensemble members are created through the optimized perturbation of the initial conditions in numerical weather prediction (NWP) models. Tangent linear models are capable of efficiently investigating the sensitivity of solar radiation to model input parameters because they do not require individual perturbation of each variable. This sensitivity study using tangent linear models provide us the capability to identify the right variables to perturb in an ensemble prediction system. In this study, we developed tangent linear models for WRF-Solar modules that directly impact the computation of solar radiation and the simulation of cloud formation and dissipation including the Fast All-sky Model for Solar Applications (FARMS), the Noah land surface model (LSM), the Thompson microphysics, the Mello-Yamada-Nakanishi-Niino (MYNN) boundary layer parameterization, and the Deng scheme for a shallow-convection parameterization. A sensitivity analysis was conducted under various scenarios based on satellite observations and model simulations from the National Solar Radiation Data Base (NSRDB) and WRF-Solar, respectively. Critical forecasting variables that are highly sensitive to the forecasting of global horizontal irradiance (GHI), direct normal irradiance (DNI), cloud mixing ratio, cloud tendency, cloud fraction, and sensible and latent heat fluxes were determined using the relevant WRF-Solar module. This study will be used as a guidance on future research leading to high-quality probabilistic solar forecasting. In this presentation, we discuss the validation of tangent linear approach for WRF-Solar modules and illustrate how the sensitivity results are valuable in the improvement of probabilistic solar prediction.

24 POWER TRANSMISSION AND DISTRIBUTION↗