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DOE OSTI2021

A compact neutron spectrometer system

A portable neutron spectrometer, nSpec, has been developed for passive interrogation of fast neutrons ( 1 MeV) from neutron sources. The design of the system includes four EJ-301 liquid scintillation cells, a custom stand, and tungsten caps for gamma-ray shielding. Data acquisition settings were optimized to provide a dynamic range of up to > 15 MeV neutron energy. Additionally, the detector response matrix was characterized using a time-of-flight method based on gamma-ray tagged neutron emission from 252 Cf. The spectrum unfolding was characterized using measured and simulated spectra of AmBe and 252 Cf with the GRAVEL and MLEM methods. Monte Carlo methods were used to examine the uncertainty propagation and determine sufficient counts for a measurement.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Quantum‐Classical Simulation of Quantum Field Theory by Quantum Circuit Learning

Abstract Quantum circuit learning is employed to simulate quantum field theories (QFTs). Typically, when simulating QFTs with quantum computers, significant challenges are encountered due to the technical limitations of quantum devices when implementing the Hamiltonian using Pauli spin matrices. To address this challenge, quantum circuit learning is leveraged, employing a compact configuration of qubits and low‐depth quantum circuits to predict real‐time dynamics in quantum field theories. The key advantage of this approach is that a single‐qubit measurement can accurately forecast various physical parameters, including fully‐connected operators. To demonstrate the effectiveness of this method, it is used to predict quench dynamics, chiral dynamics and jet production in a 1+1‐dimensional model of quantum electrodynamics. It is found that our predictions closely align with the results of rigorous classical calculations, exhibiting a high degree of accuracy. This hybrid quantum‐classical approach illustrates the feasibility of efficiently simulating large‐scale QFTs on cutting‐edge quantum devices.

Ikeda, Kazuki [Department of Physics University of↗

DOE OSTI2022

A compact light shield for the Psyche gamma-ray spectrometer

A compact, low-mass light shield has been designed for the Psyche space mission high-purity germanium gamma-ray spectrometer. The spectrometer will be vented to space, which can allow solar photons to enter the cryostat and cause charge-induced noise. The light shield was designed to block more than 99.9% of solar photons while maintaining high molecular conductance to space vacuum. COMSOL simulations and experiments were performed to characterize light shield photon attenuation and molecular conductance. Finally, the light shield was integrated onto the gamma-ray spectrometer and photon suppression and vacuum performance were demonstrated.

(16) Psyche↗

DOE OSTI2025

Cyclotron resonance accelerators for industrial applications

Here, this paper describes novel configurations for cyclotron resonance acceleration of electrons and ions that have several attractive features including: a compact robust room-temperature single-cell RF cavity as the accelerator structure; and continuous high current accelerated un-bunched beam output with self-scanning, obviating need for a separate beam scanner. An electron accelerator version, the electron Cyclotron Resonance Accelerator (eCRA), is under development to be an efficient source for high power electron and x-ray beams for medical, research, sterilization, and National Security applications, so as to replace radioactive materials. An ion accelerator version, the ion Cyclotron Auto-Resonance Accelerator (iCARA) is described here, suggesting its potential to produce, as an example, a high-current multi-MeV beam of deuterons which could be highly competitive with that produced either with linacs or cyclotrons. Such a deuteron beam could produce a high flux of fast neutrons via deuteron stripping, for applications including the transmutation of used nuclear fuel, material studies relevant for a fusion reactor inner wall, tritium breeding and medical isotope production. For the high-current, high efficiency simulated performance for eCRA and iCARA as described in this paper, the particle beams produced may not exhibit the low emittance values that are important for most discovery research. Rather, the beams could be useful for industrial applications where higher emittance and some energy spread can be tolerated, in favor of high beam power.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

AGR-5/6/7 Experiment Monitoring and Simulation Progress

Advanced Gas Reactor (AGR)--5/6/7 is the last of a series of AGR experiments conducted in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) in support of development and qualification of tri-structural isotropic (TRISO) low-enriched fuel for use in high temperature gas-cooled reactors. The test train contains five separate capsules that are independently controlled and monitored. Each capsule contains multiple 12.51 mm long compacts filled with low-enriched uranium carbide/oxide (UCO) TRISO fuel particles. The objectives of the AGR-5/6/7 experiment are to: 1. Irradiate reference-design fuel particles to support fuel qualification. 2. Establish operating margins for the fuel beyond normal operating conditions. 3. Provide irradiated fuel performance data and irradiated fuel samples for post-irradiation examination (PIE) and safety testing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

AGR-5/6/7 Experiment Monitoring and Simulation Progress

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Providing Experimental Infrastructure for Accelerating Advanced Reactor Demonstrations through the National Reactor Innovation Center

A suite of experimental infrastructure projects has been developed by the National Reactor Innovation Center to accelerate advanced reactor demonstrations and facilitate their development, addressing crucial gaps in data, materials characterization, and modeling. First, the Molten Salt Thermophysical Examination Capability (MSTEC) provides a specialized platform for post-irradiation characterization of molten salt reactor fuel, coolant salts, and structural materials, essential for supporting the design and operation of advanced reactors and future commercial molten salt reactor development and licensing. The Virtual Test Bed (VTB) complements these efforts by leveraging advanced modeling and simulation tools to evaluate reactor performance and safety. Serving as a library of reference models, the VTB offers a database of multiphysics reactor models, facilitating rapid safety evaluations and includes continuous software quality assurance, crucial for accelerating deployment while maintaining reliability. Additionally, the Helium Component Test Facility (HeCTF) addresses the need for high-temperature helium-cooled reactor component testing. As the first-of-its-kind facility in the United States, HeCTF emulates high-temperature gas reactor conditions, reducing time and cost associated with component validation, thereby accelerating reactor development. Finally, In-cell Thermal Creep Frames provide a unique solution for obtaining thermal creep data from irradiated materials, critical for materials qualification and licensing. Developed by the National Reactor Innovation Center, these compact frames enable the examination of previously irradiated materials, overcoming traditional limitations and enhancing the understanding of mechanical properties crucial for reactor development. Collectively, these experimental infrastructure projects form a comprehensive framework aimed at expediting advanced reactor demonstrations, fostering innovation, and ensuring the viability of next-generation nuclear energy solutions.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Tuning aminopolycarboxylate chelators for efficient complexation of trivalent actinides

The complexation of trivalent lanthanides and minor actinides (Am 3+ , Cm 3+ , and Cf 3+ ) by the acyclic aminopolycarboxylate chelators 6,6'-((ethane-1,2-diylbis–((carboxymethyl)azanediyl))bis–(methylene))dipicolinic acid (H 4 octapa) and 6,6'-((((4-(1-(2-(2-(2-hydroxyethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)pyridine-2,6-diyl)bis–(methylene))bis–((carboxymethyl)azanediyl))bis–(methylene)) dipicolinic acid (H 4 pypa-peg) were studied using potentiometry, spectroscopy, competitive complexation liquid–liquid extraction, and ab initio molecular dynamics simulations. Two studied reagents are strong multidentate chelators, well-suited for applications seeking radiometal coordination for in-vivo delivery and f-element isolation. The previously reported H 4 octapa forms a compact coordination packet, while H 4 pypa-peg is less sterically constrained due to the presence of central pyridine ring. The solubility of H 4 octapa is limited in a non-complexing high ionic strength perchlorate media. However, the introduction of a polyethylene glycol group in H 4 pypa-peg increased the solubility without influencing its ability to complex the lanthanides and minor actinides in solution.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

AGR-5/6/7 Fuel Fabrication Report

The U.S. Department of Energy Office of Nuclear Energy (DOE NE) and the Idaho National Laboratory (INL) Advanced Reactor Technologies (ART) Advanced Gas Reactor (AGR) Fuel Development and Qualification program (referred to as AGR Fuel program hereafter) are pursuing qualification of tristructural isotropic (TRISO) coated particle fuel for use in high temperature gas cooled reactors (HTGRs). The AGR Fuel program was established to provide a fuel qualification data set in support of the licensing and operation of an HTGR. BWX Technologies Nuclear Operations Group (BWXT-NOG) was subcontracted to fabricate the fuel for the AGR program. Several investments and innovations were realized in preparation to fabricate fuel for the AGR-5/6/7 irradiation experiments that brought fuel fabrication fully out of the laboratory and into engineering-scale operations. These included: • Increased the kernel fabrication line capacity and uniformity • Upgraded ancillary support equipment and processes for the tristructural isotropic (TRISO) coating furnace • Demonstrated efficient production of the matrix precursor powder by dry jet milling of co mingled components • Demonstrated an engineering-scale method for quick and efficient overcoating TRISO particles with the matrix precursor • Demonstrated an automated, multi cavity compacting system with a volumetric feed system • Demonstrated a combined-cycle thermal treatment furnace These changes increased production rates of some of these processes by an order of magnitude or more while eliminating the use of flammable solvents, multiple grinding and sorting operations, and the weighing out of individual die charges. Three fuel kernel lots were fabricated for production of the fuel for AGR-5/6/7. The initial lot (J52R-16-39316) was certified to fuel specifications but was not used because the kernels had a high fraction of internal fissures that caused an unacceptable fraction of the kernels to fragment when charged to the coating furnace where the TRISO coating would be deposited. Fragmented kernels increased the dispersed uranium in the particles and produced a worrisome fraction of dimpled particles with an elevated probability of in-pile failure. After some efforts to identify the cause of the fissure formation, two additional lots were produced with much lower fissure fractions, J52R-16-69317 and 69318. The latter kernel lot was a backup to the first and was not needed. Multiple kernel batches were composited to form each of the lots so as to simulate a commercial-scale operation where kernel batches would also be composited. Multiple TRISO coating runs were performed and the product characterized so that several could be composited into a TRISO lot. TRISO lot J52R-16-98005 conformed to all fuel specifications except the mean outer pyrocarbon (OPyC) layer thickness was thinner than specified. Furthermore, it was determined that the TRISO lot had a dispersed uranium fraction (DUF) that might result in the compacts not meeting the DUF specification. A review of the role of the OPyC layer and consequences of the DUF by the Technical Coordination Team and INL concluded that the fuel was acceptable for use in the AGR-5/6/7 irradiation experiment. The TRISO particles were overcoated with the matrix precursor that had been produced in a jet-milling operation. The overcoating was performed in equipment originally designed to coat pharmaceuticals. The overcoating process performed well; producing highly spherical and uniform overcoats requiring little upgrading and no recycle or rework. TRISO particles were overcoated with the matrix precursor to achieve nominal volumetric packing fractions (PFs) of TRISO particles of 25% and 40% for the irradiation experiments. The 40% PF compacts occupy the first and fifth test capsule in the test train while the inner three capsules are loaded with 25% PF compacts. The resinated graphite matrix precursor powder was a derivative of the German A3-27 matrix formulation, which differs from previous AGR irradiation campaigns that used an A3-3 formulation. Jet milling of the matrix powder precursor produced a finer mean graphite particle size than the milling operations used for the A3-3 matrix powder precursor. Changes made in the matrix formula and equipment yielded compacts with significantly higher matrix density than was attained in previous AGR irradiation campaigns. The changes in the matrix formulation and the means of milling the powders also complicated resolution of the three fuel compact defect fractions, DUF, exposed kernel fraction (EKF), and the silicon carbide defect fraction (SDF). Characterization data from BWXT-NOG had some anomalous results, so samples of the fuel compacts and overcoated TRISO particles were also analyzed by Oak Ridge National Laboratory (ORNL) to ensure that the defect fractions were accurately characterized.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Heavy Elements and Electromagnetic Transients from Neutron Star Mergers

Compact binary mergers involving neutron stars can eject a fraction of their mass to space. Being extremely neutron rich, this material undergoes rapid neutron capture nucleosynthesis, and the resulting radioactivity powers fast, short-lived electromagnetic transients known as kilonova or macronova. Such transients are exciting probes of the most extreme physical conditions and their observation signals the enrichment of the Universe with heavy elements. Here the current understanding of the mass ejection mechanisms, the properties of the ejecta, and the resulting radioactive transients are reviewed. The first well-observed event in the aftermath of GW170817 delivered a wealth of insights, but much of today's picture of such events is still based on a patchwork of theoretical studies. Apart from summarizing the current understanding, questions where no consensus has been reached yet are also pointed out, and possible directions for the future research are sketched. In an appendix, a publicly available heating rate library based on the WinNet nuclear reaction network is described, and a simple fit formula to alleviate the implementation in hydrodynamic simulations is provided.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Characterization and alignment of a resonant cavity beam position monitor for the Compact LInear Collider (CLIC) project at CERN

Beam diagnostic devices are essential tools to sense the properties of the beam in particle accelerators. Beam Position Monitors (BPMs) are used to detect the transverse beam spatial coordinates. A large number of high-resolution resonant cavity BPMs, operating at 14GHz, are proposed to monitor the orbit of the two main beam linacs of the CLIC project. This paper discusses innovative calibration techniques on a dedicated test bench in the frame of the PACMAN project. The particular location of the electromagnetic center of the resonant cavity BPM is detected utilizing a stretched-wire measurement approach. Measurements, RF characterization and final fiducialization of the BPM electrical offset are treated with details. Initial studies through EM simulations of the cavity BPM are covered. The presented experimental results prove the feasibility of the alignment methodology with nanometric resolution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

RANGERS: Modeling Report on Integrity and Performance Assessment of Engineered Barrier Systems in a Salt Repository for HLW/SNF

The Engineered Barrier System (EBS) plays an important role in ensuring the long-term safety and containment of high-level waste (HLW) and spent nuclear fuel (SNF) in deep geological repositories in salt formation. As part of a multi-barrier system, the EBS works alongside the natural barrier, which is the salt formation itself and the technical barrier comprising the disposal casks. The primary function of the EBS is to maintain containment during a defined period until the backfill used in the repository made of crushed salt, develops its sealing capacity through compaction. Over the time, the backfill eventually compacts to a state of low porosity and permeability, acting as a long-term seal. However, until this process is complete, the EBS must retain its structural and functional integrity. Regulatory guidelines in Germany currently require the EBS to remain effective for up to next ice age, that is expected in 50,000 years. The significant hydro-geological and topographic changes expected during an ice age could make it impossible to accurately predict the hydro-chemical conditions within the repository system at that time. In response to these challenges, BGE TECHNOLOGY GmbH (BGE TEC) and Sandia National Laboratories (SNL) have jointly developed a comprehensive methodology for the design and safety assessment of engineered barrier systems within the scope of the RANGERS project. This methodology is tailored for repositories in salt formations. The developed methodology provides a structured approach for designing and assessing the performance of the EBS in salt-based repositories. It begins with defining a sealing concept based on the geological characteristics of the selected site and the overall repository design. The entire repository system, comprising the geological site, repository infrastructure, and EBS, is then subjected to a Features, Events, and Processes (FEP) analysis, focusing solely on those FEPs that affect the EBS. The derived FEPs help identify the loads and stresses acting on the EBS, which serve as the foundation for conducting an integrity assessment. This analysis helps predict the EBS’s evolution and performance over the regulatory time frame, feeding into integrated performance assessment simulations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Effects of time-dependent deformation of shale on the integrity of a geological nuclear waste repository

Safety assessment of geological nuclear waste repositories is essential for the permanent disposal of spent nuclear fuels and high-level radioactive waste. The long-term integrity of the host rock as well as the engineered barrier system (e.g., bentonite buffer) surrounding nuclear waste canisters is of particular importance as decay heat from nuclear waste canisters, which will last over thousands of years, significantly disturbs the thermo-hydromechanical (THM) state of the repository. In this study, THM coupled simulations were carried out to investigate the effect of time-dependent deformation (i.e., creep) of shale on the long-term integrity of a generic subsurface nuclear waste repository. The Norton-Bailey creep model, which is also known as the Lemaitre-Menzel-Schreiner model, was employed to simulate the power-law type creep that is observed in shales. The TOUGH-FLAC simulator was employed for the THM coupled modeling of the repository. The objective of this study is to assess the effect of creep in different shales (i.e., high creep shale vs. low creep shale) on long-term stress and permeability changes in the repository. Results show potential advantages of constructing repositories in the high creep shale, as deviatoric stress levels in the formation decreased to zero in 100 years since the emplacement of nuclear waste canisters and the permeability also decreased to the undamaged, intrinsic levels in 10,000 years. Also, mean effective stress levels in the bentonite buffer increased by 100% in the high creep shale case relative to the low creep shale case at 10,000 years due to creep-induced contraction of the nuclear waste disposal tunnel. However, in earlier periods (e.g., 1000 years), the stress levels in the bentonite buffer were twice smaller in the high creep shale case than in the low creep shale case, which shows a tradeoff between the intermediate- (~1000 years) and long-term (>10,000 years) compaction levels in the bentonite buffer depending on the creep characteristics of the host shale.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Heat Pipe Cooled Microreactors

Microreactor technologies are required to provide reliable carbon-free power generation in remote applications. The heat pipe cooled microreactor concept in particular offers notable advantages due to the passive operation of heat pipes enabling increased reliability and simplicity in a more compact form factor. There is a significant need for experimental work to aid and expedite the deployment of heat pipe microreactors due to their unique technological characteristics. Thus, there has been increased interest in heat pipe experiments by numerous institutions in order to support these efforts. The present work is a comprehensive review of heat pipe experiments, describing instrumentation, methods, phenomena of interest, and recent developments. In addition, legacy work on the operation of high-temperature heat pipes under irradiation is reviewed and discussed. Furthermore, the verification and validation efforts for the flagship heat pipe simulation code Sockeye are reviewed and requirements for future experiments are outlined. Lastly, future directions are proposed for heat pipe experimentation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

PARFUME/BISON Fission Product Release Predictions versus AGR-3/4 Heating Test Measurements

The fuel performance modeling codes PARFUME (PARticle FUel ModEl) and BISON were used to predict the release of fission products silver, cesium, and strontium from as-irradiated fuel compacts containing tristructural isotropic (TRISO) coated particles during heating tests post irradiation. The AGR-3/4 fuel compacts were irradiated as part of the third and fourth series of planned experiments to support the Advanced Gas Reactor (AGR) program. The heating tests were conducted at temperatures between 1200°C and 1700°C to simulate reactor accident conditions. The measured fission product release fractions from the heating tests were compared to modeling predictions calculated by PARFUME and BISON to evaluate how the codes compare to experimental results. Comparisons between the experimental measured fission product release fractions from silver, cesium and strontium indicate that both modeling codes overpredict the fission product release fractions demonstrating that the diffusivities used in the codes are overestimated. This results in a conservative estimate predicted by the codes when evaluating the fission product release relative to experimental data as it pertains to silver, cesium, and strontium.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Using photoelectron spectroscopy to measure resonant inelastic X-ray scattering: a computational investigation

Resonant inelastic X-ray scattering (RIXS) has become an important scientific tool. Nonetheless, conventional high-resolution (few hundred meV or less) RIXS measurements, especially in the soft X-ray range, require low-throughput grating spectrometers, which limits measurement accuracy. Here, the performance of a different method for measuring RIXS, i.e. photoelectron spectrometry for analysis of X-rays (PAX), is computationally investigated. This method transforms the X-ray measurement problem of RIXS to an electron measurement problem, enabling use of high-throughput, compact electron spectrometers. X-rays to be measured are incident on a converter material and the energy distribution of the resultant photoelectrons, the PAX spectrum, is measured with an electron spectrometer. A deconvolution algorithm for analysis of such PAX data is proposed. It is shown that the deconvolution algorithm works well on data recorded with ~0.5 eV resolution. Additional simulations show the potential of PAX for estimation of RIXS features with smaller widths. For simulations using the 3d levels of Ag as a converter material, and with 10 5 simulated detected electrons, it is estimated that features with a few hundred meV width can be accurately estimated in a model RIXS spectrum. For simulations using a sharp Fermi edge to encode RIXS spectra, it is estimated that one can accurately distinguish 100 meV FWHM peaks separated by 45 meV with 10 5 simulated detected electrons that were photoemitted from within 0.4 eV of the Fermi level.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Uncertainty Quantification of Calculated Temperatures for the AGR 5/6/7 Experiment

This report documents the quantification of uncertainty of the calculated temperature data for the Advanced Gas Reactor (AGR) 5/6/7 fuel irradiation experiment conducted in the Advanced Test Reactor at Idaho National Laboratory in support of the Advanced Reactor Technologies? research and development program. Recognizing uncertainties inherent in physics and thermal simulations of the AGR 5/6/7 capsules, the results of the numerical simulations are used in combination with statistical analysis methods to improve qualification of measured data. The calculated fuel temperatures for AGR tests are also used for validation of the fission product transport and fuel performance simulation models. These crucial roles of the calculated fuel temperatures in ensuring achievement of the AGR experimental program objectives require accurate determination of the model temperature uncertainties. This report covers temperature uncertainty results for each of the five AGR 5/6/7 capsules. To quantify the uncertainty of calculated temperatures determined using the ABAQUS finite element heat transfer code, this study identifies and analyzes model parameters of potential importance to the calculated temperatures of fuel compacts and thermocouples. The selection of input parameters for uncertainty quantification is based on the ranking of their influences upon temperature predictions. Thus, selected input parameters include those with high sensitivity and those with the largest uncertainty. Propagation of model parameter uncertainty and sensitivity is then used to quantify the overall uncertainty of calculated temperatures. Measurement uncertainty, analysis of modeling assumptions, and expert judgment are used as the basis to quantify the uncertainty range for selected input parameters. The input uncertainties are dynamic, accounting for the effect of unplanned events and changes in thermal properties of capsule components over extended exposure to high temperatures and fast neutron irradiation. The sensitivity analysis performed in this work went beyond the traditional local sensitivity. Using experimental design, analysis of pairwise interactions of model parameters was performed to establish sufficiency of the time dependent first order (linear) expansion terms in constructing the temperature response surface. To achieve completeness, uncertainty propagation made use of pairwise noise correlations of model parameters. Furthermore, using an interpolation scheme over the input parameter domain, the analysis obtains time dependent sensitivity over the test campaign duration. This allows computation of uncertainty for the calculated fuel temperatures and the calculated graphite temperatures at thermocouple locations during the entire irradiation period.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Measuring neutron star radius with second and third generation gravitational wave detector networks

The next generation of ground-based interferometric gravitational wave detectors will observe mergers of black holes and neutron stars throughout cosmic time. A large number of the binary neutron star merger events will be observed with extreme high fidelity, and will provide stringent constraints on the equation of state of nuclear matter. In this paper, we investigate the systematic improvement in the measurability of the equation of state with increase in detector sensitivity by combining constraints obtained on the radius of a 1.4 M ⊙ neutron star from a simulated source population. Since the measurability of the equation of state depends on its stiffness, we consider a range of realistic equations of state that span the current observational constraints. We show that a single 40 km Cosmic Explorer detector can pin down the neutron star radius for a soft, medium and stiff equation of state with a precision of 10 m within a decade, whereas the current generation of ground-based detectors like the Advanced LIGO-Virgo network would take $\mathcal{O}(10_5)$ years to do so for a soft equation of state.

79 ASTRONOMY AND ASTROPHYSICS↗