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All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

The Iodine-Xenon System in Outer and Inner Portions of Chondrules from the Unnamed Antarctic LL3 Chondrite

Alteration processes may affect I-Xe system in unequilibrated ordinary chondrites. It was shown that at the edges, where a contribution is made by matrix material around the rim, *Xe-129/Xe-128 values are generally lower (later apparent ages) than in the main chondrule mass. In this work we attempted to investigate whether thermal metamorphism can affect the I-Xe system in LL3 chondrites which did not experienced aqueous alteration.

Meshik, A. P.↗
NASA NTRS2004

The Investigation Of Carbon Contamination And Sputtering Effects Of Xenon Ion Thrusters

The Electro-Physics Branch of the NASA Glenn Research Center investigates the effect of atomic oxygen, environmental durability of high performance power materials and surfaces, and low earth orbit. One of its current projects involves the analysis of ion thrusters. Ion thrusters are devices that initiate a beam of ions to a target area. The type of ion thruster that I have been working with this Summer of 2004 emits positively charged Xenon (Xe(+)) atoms through two grids, the screen grid and the accelerator grid, after it enters an ionization chamber. Insulators are used to mechanically hold and separate these two grids. A propellant isolator, an instrument that closely resembles insulators, is placed in front of the ionization chamber. Both the insulator and isolator are made with a ceramic compound and filled with insulating beads. The main difference between the two devices is that the propellant isolator allows gas to flow through, in this case, the gas is Xe(+) and the insulators do not. In order to avoid carbon deposits and other contaminating chemicals to settle on the insulators and propellant isolator, a metal shadow shield is placed around them. These shadow shields function as a protectant and can be shaped in numerous configurations. Part of my job responsibility this summer is to investigate the effectiveness of different shadow shields that are utilized on three different ion engines: the NSTAR (NASA Solar Electric Propulsion Technology Application Readiness), JIMO (Jupiter Icy Moons Orbiter), and NEXIS (Nuclear Electric Xenon Ion System). Using calculus and other mathematical tactics, I was asked to find the total flux of carbon contamination that was able to pass the protectant shadow shield. I familiarized myself with the software program, MathCad2004, to help perform some mathematical computations such as complex integration. Another method of studying the probability of contamination is by experimental simulation. After attaining the precise parameters of the actual shadow shields, I created replicas of three types of shadow shielding to be used to undergo testing. It will be placed in a machine that produces carbon atoms at a high temperature of 200 C. or beam is aimed at a targeted material. As a result of this collision, atoms and other particles are ejected out of the target surface. Another part of my internship consisted of research on sputter ejection, or the angle distribution of sputtered material. This research entailed finding the past results of sputter ejection investigation as well as creating another type of mock simulation. Other minor projects include calculating the path of Xe(+) gas through the insulating beads of the isolators and assisting my mentor in collecting data for his paper for the Joint Propulsion Conference & Exhibit to be held July 11-14,2004 in Fort Lauderdale, Florida.

Prak, Moline K.↗
NASA NTRS2012

Electric Propulsion Induced Secondary Mass Spectroscopy

A document highlights a means to complement remote spectroscopy while also providing in situ surface samples without a landed system. Historically, most compositional analysis of small body surfaces has been done remotely by analyzing reflection or nuclear spectra. However, neither provides direct measurement that can unambiguously constrain the global surface composition and most importantly, the nature of trace composition and second-phase impurities. Recently, missions such as Deep Space 1 and Dawn have utilized electric propulsion (EP) accelerated, high-energy collimated beam of Xe+ ions to propel deep space missions to their target bodies. The energies of the Xe+ are sufficient to cause sputtering interactions, which eject material from the top microns of a targeted surface. Using a mass spectrometer, the sputtered material can be determined. The sputtering properties of EP exhaust can be used to determine detailed surface composition of atmosphereless bodies by electric propulsion induced secondary mass spectroscopy (EPI-SMS). EPI-SMS operation has three high-level requirements: EP system, mass spectrometer, and altitude of about 10 km. Approximately 1 keV Xe+ has been studied and proven to generate high sputtering yields in metallic substrates. Using these yields, first-order calculations predict that EPI-SMS will yield high signal-to-noise at altitudes greater than 10 km with both electrostatic and Hall thrusters.

Amini, Rashied↗
NASA NTRS2012

First Detection of Krypton and Xenon in a White Dwarf

We report on the first detection of the noble gases krypton (Z = 36) and xenon (54) in a white dwarf. About 20 KrVI-VII and Xe VI-VII lines were discovered in the ultraviolet spectrum of the hot DO-type white dwarf RE 0503-289. The observations, performed with the Far Ultraviolet Spectroscopic Explorer, also reveal highly ionized photospheric lines from other trans-iron group elements, namely Ga (31), Ge (32), As (33), Se (34), Mo (42), Sn (50), Te (52), and I (53), from which gallium and molybdenum are new discoveries in white dwarfs, too. For Kr and Xe, we performed an NLTE analysis and derived mass fractions of log Kr = -4.3 plus or minus 0.5 and log Xe = -4.2 plus or minus 0.6, corresponding to an enrichment by factors of 450 and 3800, respectively, relative to the Sun. The origin of the large overabundances is unclear. We discuss the roles of neutron-capture nucleosynthesis in the-precursor star and radiation-driven diffusion. It is possible that diffusion is insignificant and thaI the observed metal abundances constrain the evolutionary history of the star. Its hydrogen deficiency may be the consequence of a late helium-shell nash or a binary white dwarf merger.

Werner, Klaus↗
NASA NTRS2013

Characterizing Uranus with an Ice giant Planetary Origins Probe (Ice-POP)

We now know from studies of planetary transits and microlensing that Neptune-mass planets are ubitquitous and may be the most common class of planets in the Galaxy. As such it is crucial that we understand the formation and evolution of the ice giant planets in our own solar system so that we can better understand planet formation throughout the galaxy. An entry probe mission to Uranus would help accomplish this goal. In fact the Planetary Decadal Survey recommended a Uranus orbiter with entry probe but did not explore in detail the specifications for the entry probe. NASA Ames is currently studying thermal protection system requirements for such a mission and this has led to questions regarding the minimum interesting science payload of such an entry probe. The single most important in-situ measurement for an ice giant entry probe is a measurement of atmospheric composition. For Uranus this would specifically include the methane and noble gas abundances. An in situ measurement of the methane abundance, from below the methane cloud, would constrain the atmospheric carbon abundance, which is believed to be roughly 30 to 50 times solar. There are hints from the transiting planets that extrasolar ice giants show comparable or even greater enhancements of heavy elements compared to their primary stars. However the origin of this carbon enhancement is controversial. Is Uranus a "failed core" of a larger gas giant or was the atmosphere enhanced by accretion of icy planetesimals' Constraining atmospheric abundances of C and perhaps S or even N from below 5 bars would provide badly needed data to address such issues. A measurement of the N abundance would provide clues on the origin of the planetesimals that formed Uranus. Low N-abundance indicates planetesimals from 'warmer' regions where N was mainly in form of NH3, whereas a strong enrichment could indicate planetesimals / cometary material from the colder outer regions of the nebula. Furthermore CO and HCN have been detected in Neptune but not in Uranus. A measurement of the abundance of either would constrain the source mechanisms for these molecules (exogenic or internal). A major surprise from the Galileo Entry Probe was that the heavier noble gases Ar, Kr, and Xe are enhanced in Jupiter's atmosphere at a level comparable to what was seen for the chemically active volatiles N, C, and S. It had been generally expected that Ar, Kr, and Xe would be present in solar abundances, as all were expected to accrete with hydrogen during the gravitational capture of nebular gases. Enhanced abundances of Ar, Kr, and Xe is equivalent to saying that these noble gases have been separated from hydrogen. There are several mechanisms that could accomplish this but these hypotheses require further testing. Measurement of noble gas abundances in an ice giant would constrain the planetary formation and nebular mechanisms responsible for this enhancement. Standard three-layer models of Uranus find that the outer, predominantly H/He layer of Uranus does not reach pressures high enough (approximately 1 Mbar) for H2 to transition to liquid metallic hydrogen. However, valid models can also be constructed with a smaller intermediate water-rich layer, with hydrogen then reaching the metallic hydrogen phase. If this occurs, He should phase separate from the hydrogen and ``rain out," taking along a substantial abundance of Ne, as suggested for Jupiter (and likely also for Saturn). Hence He and Ne depletions could be probes of the planet's structure in the much deeper interior. A determination of Uranus' atmospheric abundances, particularly of the noble gasses, is thus critical to understanding the formation of Uranus, and giant planets in general. These measurements can only be performed with an entry probe. The second key measurement would be a temperature-pressure sounding to provide ground truth for remote measurements of atmospheric temperature and composition and to constrain the internal heat flow. This would also establish that the methane abundance measurements have indeed been made below any possible methane cloud. Finally an ultra stable oscillator would measure wind speeds and constrain atmospheric dynamics. In our presentation we will discuss the importance of all of these measurements and argue that an entry probe is a crucial component of any ice giant mission.

Marley, Mark S.↗
NASA NTRS2014

Nuclear Thermal Propulsion Ground Test History

Nuclear Thermal Propulsion (NTP) was started in ~1955 under the Atomic Energy Commission as project Rover and was assigned to Los Alamos National Laboratory. The Nevada Test Site was selected in 1956 and facility construction began in 1957. The KIWI-A was tested on July 1, 1959 for 5 minutes at 70MW. KIWI-A1 was tested on July 8, 1960 for 6 minutes at 85MW. KIWI-A3 was tested on October 10, 1960 for 5 minutes at 100MW. The National Aeronautics and Space Administration (NASA) was formed in 1958. On August 31, 1960 the AEC and NASA established the Space Nuclear Propulsion Office and named Harold Finger as Director. Immediately following the formation of SNPO, contracts were awarded for the Reactor In Flight Test (RIFT), master plan for the Nuclear Rocket Engine Development Station (NRDS), and the Nuclear Engine for Rocket Vehicle Application (NERVA). From December 7, 1961 to November 30, 1962, the KIWI-B1A, KIWI-B1B, and KIWI-B4A were tested at test cell A. The last two engines were only tested for several seconds before noticeable failure of the fuel elements. Harold Finger called a stop to any further hot fire testing until the problem was well understood. The KIWI-B4A cold flow test showed the problem to be related to fluid dynamics of hydrogen interstitial flow causing fuel element vibrations. President Kennedy visited the NTS one week after the KIWI-B4A failure and got to see the engine starting to be disassembled in the maintenance facility. The KIWI-B4D and KIWI-B4E were modified to not have the vibration problems and were tested in test cell C. The NERVA NRX program started testing in early 1964 with NRX-A1 cold flow test series (unfueled graphite core), NRX-A2 and NRX-A3 power test series up to 1122 MW for 13 minutes. In March 1966, the NRX-EST (Engine System Test) was the first breadboard using flight functional relationship and total operating time of 116 minutes. The NRX-EST demonstrated the feasibility of a hot bleed cycle. The NRX-A5 had multiple start-ups in May-June 1966 with 30.75 minutes accumulative operating time at or above 1GW. The NRX-A6 was tested in December 1969 and ran for 62 minutes at 1100 MW. Each engine had post-test examination and found various structure anomalies which were identified for correction and the fuel element corrosion rate was reduced. The Phoebus series of research reactors began testing at test cell C, in June 1965 with Phoebus 1A. Phoebus 1A operated for 10.5 minutes at 1100 MW before unexpected loss of propellant and leading to an engine breakdown. Phoebus 1B ran for 30 minutes in February of 1967. Phoebus 2A was the highest steady state reactor built at 5GW. Phoebus 2A ran for 12 minutes at 4100 MW demonstrating sufficient power is available. The Peewee test bed reactor was tested November- December 1968 in test cell C for 40 minutes at 500MW with overall performance close to pre-run predictions. The XE' engine was the only engine tested with close to a flight configuration and fired downward into a diffuser at the Engine Test Stand (ETS) in 1969. The XE' was 1100 MW and had ~28 start-ups. The nuclear furnace NF-1 was operated at 44 MW with multiple test runs at 90 minutes in the summer of 1972. The NF-1 was the last NTP reactor tested. The Rover/NERVA program was cancelled in 1973. However, before cancellation, a lot of other engineering work was conducted by Aerojet on a 75, 000 lbf prototype flight engine and by Los Alamos on a ~16,000 lbf "Small Engine" nuclear rocket design. The ground test history of NTP at the NRDS also offers many lessons learned on how best to setup, operate, emergency shutdown, and post-test examine NTP engines. The reactor and engine maintenance and disassembly facilities were used for assembly and inspection of radioactive engines after testing. Most reactor/ engines were run at test cell A or test cell C with open air exhaust. The Rover/NERVA program became aware of a new environmental regulation that would restrict the amount of radioactive particulates allowed to be release in open air and successfully demonstrated a scrubber concept with the NF-1. The ETS stand was the only one with a high altitude test chamber used for XE'. The ETS and other test cells showed the effects the engine's radiation had on the facility materials and instrumentation as well as side effects the ground test facility has back on the engine operation. The breakdown of Phoebus 1A at test cell C showed how the site was cleaned up and back to operation for five more engines before the program was cancelled.

Gerrish, Harold P.↗
DOE OSTI2020

Systematic investigation of the particle spectra in heavy-ion collisions at the Large Hadron Collider

We investigate the charged particle spectra produced in the heavy-ion collisions at nine centralities from different systems, i.e. Pb+Pb at √ s NN = 2.76 TeV and 5.02 TeV as well as Xe+Xe at √ s NN = 5.44 TeV, at Large Hadron Collider (LHC) using one empirical formula inspired by the stationary solution of the Fokker-Planck equation, dubbed as the generalized Fokker-Planck solution (GFPS). Our results show that the GFPS can reproduce the experimental particle spectrum up to transverse momentum pT about 45 GeV/c with the maximum discrepancy 30% covering 10 orders of magnitude. Here, the discrepancy between the data and the results from the GFPS decreases to 15% when the maximum of the charged particle transverse momentum is cut to 20 GeV/c. We confirmed that the Tsallis distribution derived from the non-extensive statistics, which can reproduce the particle spectra produced in small collision systems, such as p+p, up to few hundreds GeV/c, can only apply to systematically study the particle spectra up to 8 GeV/c in A+A collisions at LHC, as pointed out in the study of identified particle spectra in Pb+Pb collisions at √ s NN = 2.76 TeV. A brief discussion on GFPS is also given.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Assessment of effective elastic constants of U-10Mo fuel microstructures

Monolithic U-10Mo fuel undergoes significant microstructural changes during fuel burnup which degrades its mechanical properties. In this talk, we present results form a numerical method to assess the impact of the various microstructural features--grains, intragranular and intergranular Xe gas bubbles--on the elastic stiffness tensor. Using the Multiphysics Object-Oriented Simulation Environment (MOOSE), phase-field-based microstructures are combined with asymptotic expansion homogenization method to obtain effective elastic constants as a function of porosity and fission density. The results are verified and compared against analytical homogenization models. With this approach, elastic degradation in operating nuclear fuels can be quantified when the distributions of microstructural features are known from experimental characterization or rate-theory based models. We further develop an evolution model based on the virial equation of state for Xe gas and investigate the effect of growth and coalescence of the bubbles at the grain boundary faces and triple junctions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Environmental remediation with functional aerogels and xerogels

Several different types of aerogel and/or xerogel scaffolds have been demonstrated as effective sorbents for the capture and immobilization of radionuclides in gaseous form [e.g., iodine gas or I2(g), Xe] as well as ionic form (e.g., Ce4+, Cs+, I–, IO3-, Rb+, Sr2+, 99Tc7+, and U6+). These scaffolds have unique properties, which include high specific surface areas, high pore volumes, varieties of pore sizes, and functionalities that provide methods for binding radionuclides through physisorption, chemisorption, or a combination thereof. This combination of properties and functionalities make these types of materials ideal scaffolds for use as sorbents for capturing radionuclides. The primary base materials that will be discussed in this chapter include Ag0-functionalized silica aerogels, Ag+-impregnated aluminosilicate aerogels, Ag0-functionalized aluminosilicate aerogels, metal-impregnated (non-Ag) aluminosilicate aerogels and xerogels, sulfide-based aerogels, and carbon-based aerogel composites. For the capture of I2(g), the materials reported herein show some of the highest iodine loadings ever reported for inorganic sorbents. For the capture of ionic species, these materials also show promise to be some of the next generations of materials for active radionuclide remediation. This progress report will describe how these materials are fabricated, the general properties of these materials, as well as an overview of how they have been used for different applications in environmental remediation of radionuclides.

aerogel, xerogel, iodine, radionuclide remediation↗
DOE OSTI2024

2D Nitrogen‐Doped Graphene Materials for Noble Gas Separation

Abstract Noble gases, notably xenon, play a pivotal role in diverse high‐tech applications. However, manufacturing xenon is an inherently challenging task, due to its unique properties and trace abundance in the Earth's atmosphere. Consequently, there is a pressing need for the development of efficient methods for the separation of noble gases. Using mild fluorographene chemistry, nitrogen‐doped graphene (GNs) materials are synthesized with abundant aromatic regions and extensive nitrogen doping within the vacancies and holes of the aromatic lattice. Due to the organized interlayer “nanochannels”, nitrogen functional groups, and defects within the two‐dimensional (2D) structures, GNs exhibits effective selectivity for Xe over Kr at low pressure. This enhanced selectivity is attributed to the stronger binding affinity of Xe to GN compared to Kr. The adsorption is governed by London dispersion forces, as revealed by theoretical calculations using symmetry‐adapted perturbation theory (SAPT). Investigation of other GNs differing in nitrogen content, surface area, and pore sizes underscores the significance of nitrogen functional groups, defects, and interlayer nanochannels over the surface area in achieving superior selectivity. This work offers a new perspective on the design and fabrication of functionalized graphene derivatives, exhibiting superior noble gas storage and separation activity exploitable in gas production technologies.

Šedajová, Veronika↗
DOE OSTI2021

Anisotropic flow of identified hadrons in $\mathrm{X}$e-$\mathrm{X}$e collisions at $\sqrt{s_{NN}}$ = 5.44 $\mathrm{T}$e$\mathrm{V}$

Measurements of elliptic (v 2 ) and triangular (v 3 ) flow coefficients of π ± , K ± , $p+\bar{p}$, $K$$^{0}_{S}$, and $Λ+\bar{Λ}$ obtained with the scalar product method in Xe-Xe collisions at $\sqrt{s_{NN}}$ = 5.44 TeV are presented. The results are obtained in the rapidity range |y| < 0.5 and reported as a function of transverse momentum, p T , for several collision centrality classes. The flow coefficients exhibit a particle mass dependence for p T < 3 GeV/c, while a grouping according to particle type (i.e., meson and baryon) is found at intermediate transverse momenta (3 < p T < 8 GeV/c). The magnitude of the baryon v 2 is larger than that of mesons up to p T = 6 GeV/c. The centrality dependence of the shape evolution of the p T -differential v 2 is studied for the various hadron species. The v 2 coefficients of π ± , K ± , and $p+\bar{p}$ are reproduced by MUSIC hydrodynamic calculations coupled to a hadronic cascade model (UrQMD) for p T < 1 GeV/c. A comparison with v n measurements in the corresponding centrality intervals in Pb-Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV yields an enhanced v 2 in central collisions and diminished value in semicentral collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Latest Results from the CUORE Experiment

Abstract The Cryogenic Underground Observatory for Rare Events (CUORE) is the first cryogenic experiment searching for $$0\nu \beta \beta $$ 0 ν β β decay that has been able to reach the one-tonne mass scale. The detector, located at the Laboratori Nazionali del Gran Sasso (LNGS) in Italy, consists of an array of 988 $${\mathrm{TeO}}_{2}$$ TeO 2 crystals arranged in a compact cylindrical structure of 19 towers. CUORE began its first physics data run in 2017 at a base temperature of about 10 mK and in April 2021 released its $$3{\mathrm{rd}}$$ 3 rd result of the search for $$0\nu \beta \beta $$ 0 ν β β , corresponding to a tonne-year of $$\mathrm{TeO}_{2}$$ TeO 2 exposure. This is the largest amount of data ever acquired with a solid state detector and the most sensitive measurement of $$0\nu \beta \beta $$ 0 ν β β decay in $${}^{130}\mathrm{Te}$$ 130 Te ever conducted . We present the current status of CUORE search for $$0\nu \beta \beta $$ 0 ν β β with the updated statistics of one tonne-yr. We finally give an update of the CUORE background model and the measurement of the $${}^{130}\mathrm{Te}$$ 130 Te $$2\nu \beta \beta $$ 2 ν β β decay half-life and decay to excited states of $${}^{130}\mathrm{Xe}$$ 130 Xe , studies performed using an exposure of 300.7 kg yr.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Possible impacts of molten salt reactors on the International Monitoring System

Molten salt reactors (MSRs) are gaining support as many countries look for ways to increase power generation and replace aging nuclear energy production facilities. MSRs have inherently safe designs, are scalable in size, can burn transuranic wastes from traditional solid fuel nuclear reactors, can store excess heat in thermal reservoirs for water desalination, and can be used to produce medical isotopes as part of the real-time liquid-fuel recycling process. The ability to remove 135 Xe in real time from the fuel improves the power production in an MSR because 135 Xe is the most significant neutron-absorbing isotope generated by nuclear fission. Xenon-135, and other radioactive gases, are removed by sparging the fuel with an inert gas while the liquid fuel is recirculated from the reactor inner core through the heat exchangers. Without effective abatement technologies, large amounts of radioactive gas could be released during the sparging process. This work examines the potential impact of radioxenon releases on samplers used by the International Monitoring System (IMS) to detect nuclear explosions. Here, atmospheric transport simulations from seven hypothetical MSRs on different continents were used to evaluate the holdup time needed before release of radioxenon so IMS samplers would register few detections. Abatement technologies that retain radioxenon isotopes for at least 120 d before their release will be needed to mitigate the impacts from a molten salt breeder reactor used to replace a nuclear power plant. A holdup time of about 150 d is needed to reduce emissions to the average level of current nuclear power plants.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

Noble gas adsorption to tuff

For this report a method was developed to measure trace noble gas element adsorption to the surfaces of geologic materials in the presence of a background gas that could potentially compete for surface adsorption sites. Adsorption of four noble gas elements (Ne, Ar, Kr, and Xe) at a concentration of 100 ppm in helium and nitrogen were measured on a sample of crushed tuff at 0, 15, 30, and 45°C. In addition, Ne, Ar, Kr, and Xe at 250 ppm and 500 ppm in nitrogen at 15°C were measured. Noble gas adsorption was found to increase with increasing atomic mass and decreasing temperature. It was also observed that the relative increase in noble gas element adsorption with decreasing temperature tends to increase with increasing atomic mass. Noble gas adsorption from nitrogen was approximately an order of magnitude greater than for the noble gases in helium. As the noble gas concentrations in nitrogen increased, adsorption increased in a slightly non-linear fashion which could be modeled using a Freundlich isotherm. For noble gas concentrations that were ≤100 ppm Henry's Law constant were calculated.

58 GEOSCIENCES↗
DOE OSTI2022

Third international challenge to model the medium- to long-range transport of radioxenon to four Comprehensive Nuclear-Test-Ban Treaty monitoring stations

In 2015 and 2016, atmospheric transport modeling challenges were conducted in the context of the Comprehensive Nuclear-Test-Ban Treaty (CTBT) verification, however, with a more limited scope with respect to emission inventories, simulation period and number of relevant samples (i.e., those above the Minimum Detectable Concentration (MDC)) involved. Therefore, a more comprehensive atmospheric transport modeling challenge was organized in 2019. Stack release data of Xe-133 were provided by the Institut National des Radioéléments/IRE (Belgium) and the Canadian Nuclear Laboratories/CNL (Canada) and accounted for in the simulations over a three (mandatory) or six (optional) months period. Best estimate emissions of additional facilities (radiopharmaceutical production and nuclear research facilities, commercial reactors or relevant research reactors) of the Northern Hemisphere were included as well. Model results were compared with observed atmospheric activity concentrations at four International Monitoring System (IMS) stations located in Europe and North America with overall considerable influence of IRE and/or CNL emissions for evaluation of the participants’ runs. Participants were prompted to work with controlled and harmonized model set-ups to make runs more comparable, but also to increase diversity. It was found that using the stack emissions of IRE and CNL with daily resolution does not lead to better results than disaggregating annual emissions of these two facilities taken from the literature if an overall score for all stations covering all valid observed samples is considered. A moderate benefit of roughly 10% is visible in statistical scores for samples influenced by IRE and/or CNL to at least 50% and there can be considerable benefit for individual samples. Effects of transport errors, not properly characterized remaining emitters and long IMS sampling times (12–24 h) undoubtedly are in contrast to and reduce the benefit of high-quality IRE and CNL stack data. Complementary best estimates for remaining emitters push the scores up by 18% compared to just considering IRE and CNL emissions alone. Despite the efforts undertaken the full multi-model ensemble built is highly redundant. An ensemble based on a few arbitrary runs is sufficient to model the Xe-133 background at the stations investigated. The effective ensemble size is below five. An optimized ensemble at each station has on average slightly higher skill compared to the full ensemble. However, the improvement (maximum of 20% and minimum of 3% in RMSE) in skill is likely being too small for being exploited for an independent period.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Fission gas diffusion and release for Cr 2 O 3 -doped UO 2 : From the atomic to the engineering scale

Here, the anticipated benefits of large grains in Cr 2 O 3 -doped UO 2 pellets include improved mechanical and fission gas retention properties. To support the assessment of fission gas release (FGR) from doped pellets, the impact of doping on fission gas diffusivity for in-reactor conditions must be understood. In this work, we tackle this issue by informing the fission gas model within the BISON fuel performance code using material models developed at the atomic scale. The investigation of intra-granular fission gas diffusivity in Cr 2 O 3 -doped UO 2 is carried out by adapting a cluster dynamics model that, accounting for UO 2 thermochemistry, is capable of describing Xe diffusion under irradiation in undoped UO 2 as the starting point. Using a thermodynamic analysis, it is shown that in stoichiometric UO 2 with additions of Cr 2 O 3 the oxygen potential is defined by the Cr-Cr 2 O 3 two-phase equilibrium. Using the cluster dynamics model, the predicted Xe diffusivity in doped UO 2 was significantly increased in both the intrinsic and irradiation-enhanced regimes compared to undoped UO 2 as a result of higher concentrations of uranium and oxygen vacancies, respectively. This is a consequence of the more oxidizing conditions at high temperature, and more reducing conditions at low temperature, as a result of doping. Arrhenius functions have been fitted to the cluster dynamics results to enable implementation of the new diffusivities in the BISON fission gas behavior model. BISON simulations were carried out, showing the competing effects of the enlarged grains and the new fission gas diffusivity model, which act to suppress and enhance fission gas release, respectively. The new physics-informed model was validated against in-reactor experimental measurements under normal operation. Additionally, benchmarking was carried out for power ramp conditions. The predicted fission gas release agreed well with the experimental data, showing noticeable improvements over the standard UO 2 model.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The effects of radiation-induced grain subdivision and dislocations on the fracture properties of uranium dioxide

Microcantilever bending tests were applied on uranium dioxide samples irradiated by 84 MeV Xe ions. Depending on the initial grain sizes, different levels of grain subdivision and dislocation development were observed near the irradiated surface. These radiation damage features were shown to degrade the fracture properties of both samples. The fundamental aspects of the radiation-microstructure-property relationships were discussed in this paper, taking a holistic consideration of the microcantilever bending data, fractography and microstructures. The separate effects of the irradiation-induced grain subdivision and dislocations on the fracture initiation and propagation of uranium dioxide were discussed. In conclusion, it was observed that radiation-induced dislocations and grain subdivision, without the presence of Xe bubbles co-located with the defects, cause reductions in the Young's modulus, fracture strain, and fracture stress, and a transition to intergranular fracture.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Mesoscale Modeling of the Effects of Accelerated Burnup on UO2 Microstructural Evolution

Accelerating the nuclear fuel qualification process will rely on some combination of advanced modeling and simulation techniques with accelerated irradiation testing and separate effects experiments to enable the development of new fuel concepts in a shorter time frame. One of the key challenges to successfully leveraging accelerated irradiation tests will be understanding the artifacts that may be introduced with accelerated accumulation of dose and/or burnup. This work presents phase field (MARMOT) simulations of the evolution of representative 2D UO2 microstructures up to 40 MWd/kgU. Simulations were performed under both commercial light water reactor fuel conditions as well as those that would be expected for highly accelerated (~10x) burnup conditions similar to those used in the MiniFuel irradiations in Oak Ridge National Laboratory’s High Flux Isotope Reactor. The phase field model was coupled with a discrete nucleation algorithm to model re- structuring at high burnup. The effect of the different fission rates in both microstructures was investigated at two temperatures: 650?C and 800?C. The lower temperature simulations both showed an onset of restructuring at nearly 60 MWd/kgU. More extensive restructuring was obtained in the MiniFuel microstructure compared with that of the PWR fuel. At 800?C, no restructuring was obtained as a result of the thermally activated diffusion of Xe atoms and U vacancies to fission gas bubbles, which reduces the nucleation driving force. These results highlight the importance of using modeling and simulation tools to inform the environmental conditions during targeted accelerated irradiation tests to extract the most useful fuel performance data.

accelerated fuel qualification, Phase Field, Restr↗