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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Neutrinoless Double Beta Decay of 136 Xe and Related Nuclear Structure Studies (Final Scientific Report)

The search for neutrinoless double-beta decay (0nbb) explores new physics by directly probing the unknown mass scale and possible Majorana nature of the neutrino. The nEXO experiment, one of the two leading proposed ton-scale projects in the US, has a projected sensitivity to the 136 Xe 0nbb half-life of 10 28 years. The interpretation of possible signals in this next generation of experiments would be complicated by significant variations in theoretical calculations of the nuclear matrix elements (NMEs) of the decay, and nuclear structure measurements testing those theories can help address that uncertainty. We have 136 Xe(p,n) 136 Cs reaction at TUNL to deduce the level-scheme of states in 136 Cs through which the lowest-lying 1+ state decays. We find that over 99% of such decays will proceed through at least one isomeric state with a lifetime of order 100ns, which would enable large xenon detectors to employ a delayed-coincidence technique to search for charge-exchange processes including solar neutrino interactions. We have carried out measurements at TUNL of the 134 Xe( 3 He,n) 136 Ba and 136 Xe( 3 He,n) 138 Ba reactions to low-lying 0 + states in the residuals to probe the BCS assumption for QRPA NME calculations for the initial and final nuclei in 136 Xe 0nbb. While the analyses of these reactions is not yet complete and is ongoing, our initial results indicate tension with the BCS assumption. We have assembled a thermosyphon cooling R&D system for nEXO which has demonstrated up to 500 W of cooling in vacuum. We have developed a simple thermosyphon cooling simulation for nEXO and planned laboratory tests with the R&D system to benchmark it.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

An Ultra-microporous Metal-Organic Framework with Exceptional Xe Capacity

Molecular confinement plays a significant effect on trapped gas and solvent molecules. A fundamental understanding of gas adsorption within the porous confinement provides information necessary to design a material with improved selectivity. In this regard, metal organic frameworks (MOFs) adsorbents are ideal candidate materials to study confinement effects for weakly interacting gas molecules such as noble gases. Among the noble gases, Xenon (Xe) has practical applications in the medical, automotive and aerospace industries. In this communication, we report an ultra-microporous nickel-isonicotinate MOF with exceptional Xe uptake and selectivity compared to all benchmark MOF and porous organic cage materials. The selectivity arises because of the near perfect fit of the atomic Xe inside the porous confinement. Notably, at low partial pressure, the Ni-MOF interacts very strongly with Xe compared to the closely related Krypton gas (Kr) and more polarizable CO2. Further 129Xe NMR suggests a broad isotropic chemical shift due to the reduced motion as a result of confinement.

Confinement effects, atomically precise materials,↗
DOE OSTI2021

Sensitivity of the NEXT experiment to Xe-124 double electron capture

Double electron capture by proton-rich nuclei is a second-order nuclear process analogous to double beta decay. Despite their similarities, the decay signature is quite different, potentially providing a new channel to measure the hypothesized neutrinoless mode of these decays. The Standard-Model-allowed two-neutrino double electron capture (2$\nu$EC EC) has been predicted for a number of isotopes, but only observed in 78 Kr, 130 Ba and, recently, 124 Xe. The sensitivity to this decay establishes a benchmark for the ultimate experimental goal, namely the potential to discover also the lepton-number-violating neutrinoless version of this process, 0$\nu$EC EC. Here we report on the current sensitivity of the NEXT-White detector to 124 Xe 2$\nu$EC EC and on the extrapolation to NEXT-100. Using simulated data for the 2$\nu$EC EC signal and real data from NEXT-White operated with 124 Xe-depleted gas as background, we define an optimal event selection that maximizes the NEXT-White sensitivity. We estimate that, for NEXT-100 operated with xenon gas isotopically enriched with 1 kg of 124 Xe and for a 5-year run, a sensitivity to the 2$\nu$EC EC half-life of 6 × 10 22 y (at 90% confidence level) or better can be reached.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

A improved equation of state for Xe gas bubbles in gamma U-Mo fuels

A monolithic fuel design based on a U-Mo alloy has been selected as the fuel type for conversion of the United States High-Performance Research Reactors (HPRRs). An issue with U-Mo monolithic fuel is the large amount of swelling that takes place during operation. The accurate prediction of fuel evolution under irradiation requires implementation of correct thermodynamic properties into mesoscale and continuum level fuel performance modeling codes. However, the thermodynamic properties of the fission gas bubbles (such as the relationship among bubble size, equilibrium Xe concentration, and bubble pressure) are not well known. This work studies Xe bubbles in ?U-Mo from a diameter of 3 nm up to 8.5 nm and from 400 K up to 700 K. The energetic relationship of Xe bubbles with regard to voids and Xe substitutional atoms is described. The transition is also determined for when a bubble becomes over-pressurized. Finally, an equation of state is fit to the pressure as a function of molar volume and temperature.

Beeler, Benjamin↗
DOE OSTI2020

Microstructure evolution in U-10Zr alloy irradiated by swift Xe ions at 700 °C

The post-irradiation examination (PIE) results of U-10Zr binary metallic fuel that was irradiated by 84 MeV Xe ions at 700 °C are reported here. The U-10Zr specimen was synthesized by homogenizing elemental U and Zr powders through arc-melting. The as-fabricated U-10Zr was dominated by the sub-micron acicular α+ δ phase. After being irradiated by 84 MeV Xe ions at 700 °C up to 2.19 ×10 17 ions/cm 2 fluence, the U-10Zr was speculated to evolve into micro-scale γ 1 + γ 2 phases as predicted by the U-Zr phase diagram. During post-irradiation cooling, the U-rich γ 1 phase was mainly transformed to the αphase, while the Zr-rich γ 2 phase was partially retained along with formation of hexagonal structure phase (δ or ω). Xe bubbles formed in the γ 1 and γ 2 phases have salient different morphologies, implying faster Xe diffusion in the γ 1 phase than the γ 2 phase. The quantitative bubble morphology data collected in this study can provide valuable references for the development and validation of fuel performance models for this fuel.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Using SF 6 and Xe to Monitor Gas Migration Through Explosion-Generated Fracture Networks

Here we describe a field study where tracer gas was injected into a subsurface cavity created by a small chemical explosion beneath the water table. The main objective of the study is to compare the migration of sulfur hexafluoride (SF 6 ) and xenon (Xe) through an explosion-generated fracture network and to study the influence of ground water on gas transport. A mixture of tracer gases (50% of SF 6 and 50% of Xe) was injected on 31 October 2018 and gas sampling continued until 8 November 2018. We observe similar trends in SF 6 and Xe concentrations at four ground surface sampling sites. The changes in the SF 6 /Xe ratios with time show that more SF 6 than Xe is observed during the barometric pressure lows when the absolute measured concentrations are highest. Conversely, the ratio SF 6 /Xe is less than 1 during the high-pressure intervals when absolute measured concentrations are low. The results of the experiment suggest that during barometric pressure lows the tracer is migrating to the surface primarily by advective gas phase transport, whereas during barometric pressure highs, advection is suppressed and near-surface evaporation of interstitial pore fluid with tracer dissolved in it becomes more important. Thus, the results of the experiment show that the gas concentrations at the surface are controlled by the combined effects of the gas dissolution into pore water and the barometric pressure fluctuations.

58 GEOSCIENCES↗
DOE OSTI2021

Auger electron angular distributions following excitation or ionization from the Xe 3d and F 1s levels in xenon difluoride

Linearly polarized synchrotron radiation has been used to record polarization dependent, non-resonant Auger electron spectra of XeF 2 , encompassing the bands due to the xenon M 45 N 1 N 45 , M 45 N 23 N 45 , M 45 N 45 N 45 and M 45 N 45 V and fluorine KVV transitions. Resonantly excited Auger spectra have been measured at photon energies coinciding with the Xe 3d 5/2 → σ* and the overlapped Xe 3d 3/2 /F 1s → σ* excitations in XeF 2 . The non-resonant and resonantly excited spectra have enabled the Auger electron angular distributions, as characterized by the β A parameter, to be determined for the M 45 N 45 N 45 transitions. In the photon energy range over which the Auger electron angular distributions were measured, theoretical results indicate that transitions into the εf continuum channel dominate the Xe 3d photoionization in XeF 2 . In this limit, the theoretical value of the atomic alignment parameter (A 20 ) characterizing the core ionized state becomes constant. This theoretical value has been used to obtain the Auger electron intrinsic anisotropy parameters (α 2 ) from the β A parameters extracted from our non-resonant Auger spectra. For a particular Auger transition, the electron kinetic energy measured in the resonantly excited spectrum is higher than that in the directly ionized spectrum, due to the screening provided by the electron promoted into the σ* orbital. The interpretation of the F KVV Auger band in XeF 2 has been discussed in relation to previously published one-site populations of the doubly charged ions (XeF 2 2+ ). Here, the experimental results show that the ionization energies of the doubly charged states predominantly populated in the decay of a vacancy in the F 1s orbital in XeF 2 tend to be higher than those populated in the decay of a vacancy in the Xe 4d level in XeF 2 .

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

Strength, deformation, and the fcc–hcp phase transition in condensed Kr and Xe to the 100 GPa pressure range

The rare gas solids exhibit systematic differences in crystal structure, phase transition conditions, bond strength, and other physical properties. The physical properties of heavy rare gas solids krypton and xenon are modified by the martensitic phase transition from face-centered cubic to hexagonal close packed structure over a broad pressure range. Crystal structure, strength, and plastic deformation of krypton and xenon have been investigated at 300 K using compression in the diamond-anvil cell with synchrotron angle-dispersive x-ray diffraction and complementary ruby fluorescence spectroscopy for Xe. Stacking faults indicative of the fcc–hcp phase transition are observed at pressures at and above 1.23 ± 0.05 and 1.9 ± 0.6 GPa in Kr and Xe, respectively. The transition remains incomplete in both solids to pressures greater than 100 GPa. Strength determined from stress measurements in Pt and ruby standards at pressures up to 111 GPa and complemented by observations of strain and texture measurements obtained by x-ray diffraction in the radial geometry to 100 GPa indicates similar or higher strength than Ar at all conditions, with significant stiffening at 15–20 GPa. Radial diffraction data reveal the persistence of broad highly textured fcc diffraction lines to 101 GPa in Xe, suggesting that the axial measurements may underestimate the metastable persistence of the fcc phase due to biased sampling of hcp crystallites resulting from preferred crystallite orientation. Kr and Xe are compared with He, Ne, and Ar for a systematic understanding of physical properties and phase equilibria of rare gas solids.

Compressive stress↗
DOE OSTI2020

Mitigation of backgrounds from cosmogenic 137 Xe in xenon gas experiments using 3 He neutron capture

136 Xe is used as the target medium for many experiments searching for 0νββ. Despite underground operation, cosmic muons that reach the laboratory can produce spallation neutrons causing activation of detector materials. A potential background that is difficult to veto using muon tagging comes in the form of 137 Xe created by the capture of neutrons on 136 Xe. This isotope decays via beta decay with a half-life of 3.8 minutes and a Q β of ~4.16 MeV. This work proposes and explores the concept of adding a small percentage of 3 He to xenon as a means to capture thermal neutrons and reduce the number of activations in the detector volume. When using this technique we find the contamination from 137 Xe activation can be reduced to negligible levels in tonne and multi-tonne scale high pressure gas xenon neutrinoless double beta decay experiments running at any depth in an underground laboratory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Development of a 127 Xe calibration source for nEXO

Here, we study a possible calibration technique for the nEXO experiment using a 127 Xe electron capture source. nEXO is a next-generation search for neutrinoless double beta decay (0νββ) that will use a 5-tonne, monolithic liquid xenon time projection chamber (TPC). The xenon, used both as source and detection medium, will be enriched to 90% in 136 Xe. To optimize the event reconstruction and energy resolution, calibrations are needed to map the position- and time-dependent detector response. The 36.3 day half-life of 127 Xe and its small Q-value compared to that of 136 Xe 0νββ would allow a small activity to be maintained continuously in the detector during normal operations without introducing additional backgrounds, thereby enabling in-situ calibration and monitoring of the detector response. In this work we describe a process for producing the source and preliminary experimental tests. We then use simulations to project the precision with which such a source could calibrate spatial corrections to the light and charge response of the nEXO TPC.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Measurement of the 136 Xe two-neutrino double-β-decay half-life via direct background subtraction in NEXT

Here, we report a measurement of the half-life of the 136 Xe two-neutrino double-β decay performed with a novel direct-background-subtraction technique. The analysis relies on the data collected with the NEXT-White detector operated with 136 Xe-enriched and 136 Xe-depleted xenon, as well as on the topology of double-electron tracks. With a fiducial mass of only 3.5 kg of Xe, a half-life of 2.34$_{-0.46}^{+0.80}$(stat)$_{-0.17}^{+0.30}$(sys)×10 21 yr is derived from the background-subtracted energy spectrum. The presented technique demonstrates the feasibility of unique background-model-independent neutrinoless double-β-decay searches.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Temperature Effect over Gas Bubble Evolution in Uranium-10 wt.% Molybdenum alloy Irradiated by Swift Xe Ions

Results from post-irradiation examination (PIE) of U-10Mo binary metallic fuel irradiated by 84 MeV Xe ions at two different temperatures (450°C & 275°C) have been evaluated and reported. The main goal of this study was to understand gas bubble formation (due to accumulation of Xe gas) and corresponding size evolution dependent upon net Xe deposition at two different temperatures, for the U-10Mo fuel samples. From the post ion irradiation examination analysis, it can be concluded that at 450°C the Xe gas bubbles seems to coarsen more easily compared to 275°C. The results of ion irradiation testing can provide initial data that may be beneficial for fuel system down-selections, and for the development and validation of fuel performance models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Temperature Effect of Gas Bubble Evolution in UCN Fuel Kernels Irradiated by Swift Xe Ions

UC1-xNx fuel kernels provided by Oak Ridge National Laboratory (ORNL) were irradiated by 84 MeV Xe ions at two different temperatures (450°C & 750°C) at the Argonne Tandem Linac Accelerator System (ATLAS) at Argonne National Laboratory, followed by post-irradiation examination. The primary goal of this study was to understand gas bubble formation (due to accumulation of Xe gas) and corresponding size evolution dependent upon net Xe deposition at the two different temperatures. From the post-irradiation examinations of the samples, it can be concluded at 750°C, with same amount of dose received, the Xe gas bubbles seems to coarsen much more easily compared to 450°C. The results generated for fission gas bubble evolution observed in this study can be used to support fuel performance models for UC1-xNx fuel kernels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Molecular dynamics simulations of fission gas xenon (Xe) diffusion at UO 2 grain-boundaries (Rev.1)

The diffusivity of fission gas xenon (Xe) at UO 2 grain-boundaries is one of the most important parameters in mechanistic modeling of fission gas diffusion in UO 2 based nuclear fuels. In this report, we use molecular dynamics simulations to investigate the Xe diffusivity in UO 2 grain-boundaries, employing the many-body potential developed by Cooper, Rushton and Grimes for UO 2 . Three different types of grain-boundaries are investigated, twist Σ5, tilt Σ5, and a random grain-boundary. Diffusion activation energies in the range of 0.39 – 1.46 eV are obtained for the Xe diffusivity. Comparison to results for the uranium vacancy diffusivity from MD simulations employing the same methodology suggests a weak to moderate attractive Xe-uranium vacancy binding energy depending on the grain-boundary type.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Modeling and Simulation of Xe-100-type Pebble Bed Gas-Cooled Reactor with SCALE

The US Department of Energy (DOE) announced the Advanced Reactor Demonstration Program (ARDP) to accelerate the deployment of advanced reactor concepts. Awardees of ARDP funds are expected to demonstrate the operation of an advanced reactor within 7 years of receiving the award. X-Energy’s advanced reactor concept, the Xe-100, was selected as one of two advanced reactor concepts to receive funding to demonstrate the operation of its high-temperature gas-cooled pebble-bed reactor before the end of this decade. As a result of this push to bring advanced reactors to maturation and commercialization, transition and deployment scenario studies are being performed under the Systems Analysis and Integration (SA&I) campaign within the DOE Office of Nuclear Energy (DOE-NE) to evaluate the transition of the current US commercial fleet of light-water reactors (LWRs) to a future fleet of advanced reactors consisting of a mix of ARDP type reactor concepts and advanced LWRs. To accurately evaluate the front- and back-end resource requirements, it is important to perform reactor physics calculations to determine the discharge burnup and isotopic content, fuel residence time, as well as other parameters. For this purpose, a summer project funded by the SA&I campaign allowed for the setup of SCALE models for full-core Xe-100 type high-temperature gas-cooled pebble-bed reactor and a Xe-100 type slice using publicly available information. The core-averaged equilibrium compositions and zone-wise equilibrium compositions for the slice and 3D models, respectively, were obtained following an iterative depletion method developed by Bostelmann et al. using SCALE’s reactor physics sequence TRITON. The slice model was used with TRITON to generate burnup-dependent cross section libraries at different temperatures which can be used with SCALE’s ORIGAMI code to rapidly determine fuel inventory and therefore to perform quick sensitivity studies on parameters such as the pebble location in the core. The SCALE/TRITON transport and depletion calculation for the Xe-100 type slice model indicates that the isotopic concentrations are in good agreement at 1,300 effective full power days (EFPD) for 235 U. An analysis of 236 U results match 239 Pu results would seem to indicate a typographical error in Mulder and Boyes wherein the reported results of 236 U and 239 Pu are reversed. In addition to SCALE/TRITON calculations, a new capability within SCALE/ORIGAMI for the simulation of pebble-bed reactors was used to study the burnup sensitivity with respect to the pebble pathway through the core. The SCALE/ORIGAMI results show that pebbles that travel closer to the reflector for the entire depletion history have a higher burnup than pebbles that travel through the middle of the core because of the higher thermal to fast flux ratio near the reflector. Consequently, a pebble’s burnup is strongly affected by the pebble’s pathway for each pass. Additional phenomena such as temperature distributions in the core and different travel times of the pebbles in the individual radial zones further affect the burnup distribution. The sensitivity of the discharge vector to the pebble pathways taken during each pass can be evaluated in the future using SCALE/ORIGAMI now that the SCALE inputs have been established.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Ion Manipulation from Liquid Xe to Vacuum: Ba-Tagging for a nEXO Upgrade and Future 0 νββ Experiments

Neutrinoless double beta decay (0𝜈𝛽𝛽) provides a way to probe physics beyond the Standard Model of particle physics. The upcoming nEXO experiment will search for 0𝜈𝛽𝛽 decay in 136 Xe with a projected half-life sensitivity exceeding 10 28 years at the 90% confidence level using a liquid xenon (LXe) Time Projection Chamber (TPC) filled with 5 tonnes of Xe enriched to ∼90% in the 𝛽𝛽-decaying isotope 136 Xe. In parallel, a potential future upgrade to nEXO is being investigated with the aim to further suppress radioactive backgrounds and to confirm 𝛽𝛽-decay events. This technique, known as Ba-tagging, comprises extracting and identifying the 𝛽𝛽-decay daughter 136 Ba ion. One tagging approach being pursued involves extracting a small volume of LXe in the vicinity of a potential 𝛽𝛽-decay using a capillary tube and facilitating a liquid-to-gas phase transition by heating the capillary exit. The Ba ion is then separated from the accompanying Xe gas using a radio-frequency (RF) carpet and RF funnel, conclusively identifying the ion as 136 Ba via laser-fluorescence spectroscopy and mass spectrometry. Simultaneously, an accelerator-driven Ba ion source is being developed to validate and optimize this technique. The motivation for the project, the development of the different aspects, along with the current status and results, are discussed here.

a-tagging↗
DOE OSTI2020

Mitigation of Backgrounds from Cosmogenic $^{137}$Xe in Xenon Gas Experiments using $^{3}$He Neutron Capture

\Xe{136} is used as the target medium for many experiments searching for \bbnonu. Despite underground operation, cosmic muons that reach the laboratory can produce spallation neutrons causing activation of detector materials. A potential background that is difficult to veto using muon tagging comes in the form of \Xe{137} created by the capture of neutrons on \Xe{136}. This isotope decays via beta decay with a half-life of 3.8 minutes and a \Qb\ of $\sim$4.16 MeV. This work proposes and explores the concept of adding a small percentage of \He{3} to xenon as a means to capture thermal neutrons and reduce the number of activations in the detector volume. When using this technique we find the contamination from \Xe{137} activation can be reduced to negligible levels in tonne and multi-tonne scale high pressure gas xenon neutrinoless double beta decay experiments running at any depth in an underground laboratory.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Atomistic and cluster dynamics modeling of fission gas (Xe) diffusivity in TRISO fuel kernels

TRISO fuel particles are candidates for use in next generation reactors including gas reactors, fluoride salt-cooled high temperature reactors, and micro-reactors. The UCO fuel kernel consists of a uranium dioxide (UO) and uranium carbide mixture. The addition of UC helps suppress the formation of carbon monoxide gas, which led to failures during initial TRISO development. The addition of uranium carbide alters the chemistry of the UO kernel, which is known to influence performance parameters such as fission gas diffusivity, although the impact has not been quantified and no models exist that take the change in chemistry into account. Therefore, better understanding and more accurate models of the impact of chemistry on fuel performance are of high priority. In this paper, a first-principles density functional theory (DFT) and empirical potential based multi-scale study has been carried out to model the diffusivity of fission gas xenon (Xe) in UCO TRISO fuel kernels. The focus is on the UO component in the UCO fuel kernels, as that represents the largest volume fraction of the fuel kernels. The study relies on DFT and empirical potential calculations to determine Xe and point defect properties, which are then used in thermodynamic and kinetic models to predict diffusion for intrinsic conditions. In addition, the information is utilized in cluster dynamics simulations using the Centipede code to estimate the impact of irradiation on defect transport. Additionally, the presence of UC or UC in the UCO fuel kernels is shown to have a substantial impact on the UO non-stoichiometry by inducing oxygen vacancies and driving UO sub-stoichiometric, which causes much slower Xe diffusion in UCO compared to light water reactor UO fuel. The application of this model in fuel performance simulations using the Bison code is also demonstrated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗