New approach to intranuclear cascades with quantum Monte Carlo configurations
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72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
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Cross-shell excited configurations in the structure of 34 Si
The cross-shell excited states of 34 Si have been investigated via β decays of the 4 − ground state and the 1 + isomeric state of 34 Al. Since the valence protons and valence neutrons occupy different major shells in the ground state as well as the intruder 1 + isomeric state of 34 Al, intruder levels of 34 Si are populated via allowed β decays. Spin assignments to such intruder levels of 34 Si were established through γ-γ angular correlation analysis for the negative-parity states. The configurations of such intruder states play crucial roles in our understanding of the N = 20 shell gap evolution. A configuration interaction model derived from the FSU Hamiltonian was utilized in order to interpret the intruder states in 34 Si. Furthermore, shell model interaction derived from a more fundamental theory with the valence space in medium similarity renormalization group method was also employed to interpret the structure of 34 Si.
20 ≤ A ≤ 38↗
Fast Neutron Spectrum Potassium Worth for Space Power Reactor Design Validation
A variety of critical experiments were constructed of enriched uranium metal (oralloy ) during the 1960s and 1970s at the Oak Ridge Critical Experiments Facility (ORCEF) in support of criticality safety operations at the Y-12 Plant. The purposes of these experiments included the evaluation of storage, casting, and handling limits for the Y-12 Plant and providing data for verification of calculation methods and cross-sections for nuclear criticality safety applications. These included solid cylinders of various diameters, annuli of various inner and outer diameters, two and three interacting cylinders of various diameters, and graphite and polyethylene reflected cylinders and annuli. Of the hundreds of delayed critical experiments, one was performed that consisted of uranium metal annuli surrounding a potassium-filled, stainless steel can. The outer diameter of the annuli was approximately 13 inches (33.02 cm) with an inner diameter of 7 inches (17.78 cm). The diameter of the stainless steel can was 7 inches (17.78 cm). The critical height of the configurations was approximately 5.6 inches (14.224 cm). The uranium annulus consisted of multiple stacked rings, each with radial thicknesses of 1 inch (2.54 cm) and varying heights. A companion measurement was performed using empty stainless steel cans; the primary purpose of these experiments was to test the fast neutron cross sections of potassium as it was a candidate for coolant in some early space power reactor designs.The experimental measurements were performed on July 11, 1963, by J. T. Mihalczo and M. S. Wyatt with additional information in its corresponding logbook. Unreflected and unmoderated experiments with the same set of highly enriched uranium metal parts were performed at the Oak Ridge Critical Experiments Facility in the 1960s and are evaluated in the International Handbook for Evaluated Criticality Safety Benchmark Experiments (ICSBEP Handbook) with the identifier HEU MET FAST 051. Thin graphite reflected (2 inches or less) experiments also using the same set of highly enriched uranium metal parts are evaluated in HEU MET FAST 071. Polyethylene-reflected configurations are evaluated in HEU-MET-FAST-076. A stack of highly enriched metal discs with a thick beryllium top reflector is evaluated in HEU-MET-FAST-069, and two additional highly enriched uranium annuli with beryllium cores are evaluated in HEU-MET-FAST-059. Both detailed and simplified model specifications are provided in this evaluation. Both of these fast neutron spectra assemblies were determined to be acceptable benchmark experiments. The calculated eigenvalues for both the detailed and the simple benchmark models are within ~0.26 % of the benchmark values for Configuration 1 (calculations performed using MCNP6 with ENDF/B-VII.1 neutron cross section data), but under-calculate the benchmark values by ~7s because the uncertainty in the benchmark is very small: ~0.0004 (1s); for Configuration 2, the under-calculation is ~0.31 % and ~8s. Comparison of detailed and simple model calculations for the potassium worth measurement and potassium mass coefficient yield results approximately 70 – 80 % lower (~6s to 10s) than the benchmark values for the various nuclear data libraries utilized. Both the potassium worth and mass coefficient are also deemed to be acceptable benchmark experiment measurements.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Development of Xe and Kr empirical potentials for CeO 2 , ThO 2 , UO 2 and PuO 2 , combining DFT with high temperature MD
In this study, the development of embedded atom method (EAM) many-body potentials for actinide oxides and associated mixed oxide (MOX) systems has motivated the development of a complementary parameter set for gas-actinide and gas-oxygen interactions. A comprehensive set of density functional theory (DFT) calculations were used to study Xe and Kr incorporation at a number of sites in CeO 2 , ThO 2 , UO 2 and PuO 2 . These structures were used to fit a potential, which was used to generate molecular dynamics (MD) configurations incorporating Xe and Kr at 300 K, 1500 K, 3000 K and 5000 K. Subsequent matching to the forces predicted by DFT for these MD configurations was used to refine the potential set. This fitting approach ensured weighted fitting to configurations that are thermodynamically significant over a broad temperature range, while avoiding computationally expensive DFT-MD calculations. The resultant gas potentials were validated against DFT trapping energies and are suitable for simulating combinations of Xe and Kr in solid solutions of CeO 2 , ThO 2 , UO 2 and PuO 2 , providing a powerful tool for the atomistic simulation of conventional nuclear reactor fuel UO 2 as well as advanced MOX fuels.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
The DUNE-DAQ Application Framework
The deep underground neutrino experiment (DUNE) is a next-generation neutrino experiment that will probe the properties of these elusive particles with unparalleled precision. It will also act as an observatory for neutrino bursts caused by nearby supernovae, in the event that one occurs, while the experiment is in operation. Given these goals, the DUNE trigger and DAQ system must be able to maintain extremely high uptime and provide a path for full readout of the detectors for very long times (up to 100 s). To achieve these ends, we have designed the DUNE DAQ system around a flexible “application framework,” which provides a modular interface for specific tasks while handling the interconnections between them. The application framework collects modules into applications, which can then be interacted with as units by the control, configuration, and monitoring systems. One of the key features of the framework is its communication abstraction layer, which allows for modules to interact with both internal queues and external network connections with a single transport-agnostic interface. We will report on the architecture and features of the framework.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
A modular apparatus for use in high-precision measurements of parity violation in polarized eV neutron transmission
We describe a modular apparatus for use in parity-violation measurements in epithermal neutron–nucleus resonances with high instantaneous neutron fluxes at the Manuel Lujan Jr. Neutron Scattering Center at Los Alamos National Laboratory. This apparatus is designed to conduct high-precision measurements of the parity-odd transmission asymmetry of longitudinally polarized neutrons through targets containing nuclei with p-wave neutron–nucleus resonances in the 0.1–10 eV energy regime and to accommodate a future search for time reversal violation in polarized neutron transmission through polarized nuclear targets. The apparatus consists of an adjustable neutron and gamma collimation system, a 3 He- 4 He ion chamber neutron flux monitor, two identical cryostats for target cooling, an adiabatic eV-neutron spin flipper, a near-unit efficiency 6 Li- 7 Li scintillation detector operated in current mode, a flexible CAEN data acquisition system, and a neutron spin filter based on spin-exchange optical pumping of 3 He gas. We describe the features of the apparatus design devoted to the suppression of systematic errors in parity-odd asymmetry measurements. We describe the configuration of the apparatus used to conduct a precision measurement of parity violation at the 0.7 eV p-wave resonance in 139 La which employs two identical 139 La targets, one to polarize the beam on the p-wave resonance using the weak interaction and one to analyze the polarization.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Above-ground Antineutrino Detection for Nuclear Reactor Monitoring
Antineutrino monitoring of nuclear reactors has been demonstrated many times, however the technique has not as of yet been developed into a useful capability for treaty verification purposes. The most notable drawback is the current requirement that detectors be deployed underground, with at least several meters-water-equivalent of shielding from cosmic radiation. In addition, the deployment of liquid-based detector media presents a challenge in reactor facilities. We are currently developing a detector system that has the potential to operate above ground and circumvent deployment problems associated with a liquid detection media: the system is composed of segments of plastic scintillator surrounded by 6 LiF/ZnS:Ag. ZnS:Ag is a radio-luminescent phosphor used to detect the neutron capture products of lithium-6. Because of its long decay time compared to standard plastic scintillators, pulse-shape discrimination can be used to distinguish positron and neutron interactions resulting from the inverse beta decay (IBD) of antineutrinos within the detector volume, reducing both accidental and correlated backgrounds. Segmentation further reduces backgrounds by identifying the positron’s annihilation gammas, which are absent for most correlated and uncorrelated backgrounds. This work explores different configurations in order to maximize the size of the detector segments without reducing the intrinsic neutron detection efficiency. We believe this technology will ultimately be applicable to potential safeguards scenarios such as those recently described.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Engineered Barrier System R&D and International Collaborations – LANL (FY20): Spent Fuel and Waste Disposition
The United States Department of Energy’s Spent Fuel and Waste Disposition (SFWD) program is investigating the design and safety function of generic nuclear geologic repositories in a variety of geologic settings (salt, argillite, and crystalline rock). Different configurations and loadings of spent nuclear fuel and waste within disposal canisters are also being investigated, some of which have the potential to generate repository temperatures higher than previously considered (i.e., temperatures >100ºC) by foreign and domestic concepts. This report expands on engineered barrier material stability in a high temperature crystalline rock repository through high temperature hydrothermal experiments. Experiments were designed to develop engineered barrier system (EBS) concepts in a hightemperature crystalline environment in 1) bentonite-Grimsel Granodiorite interactions, 2) bentonite-cement reactions, and 3) interaction between waste canister materials and bentonite. Experiment results are applied to understanding long-term repository performance in terms of radionuclide isolation. One hydrothermal experiment was completed in the rocking autoclaves at LANL in FY-20: IEBS-6 (Grimsel Granodiorite + Wyoming bentonite + cured ordinary Portland cement + Grimsel Granodiorite synthetic groundwater, 250ºC/150 bar, 8 weeks). Several other experiments were planned but were delayed due to the COVID-19 pause in laboratory work. In addition, some characterization of the reaction products of experiments conducted in FY-20 was prevented by COVID-19. Mineral phase chemistry was not measured via electron microprobe analyses for IEBS-6. Quantitative X-ray diffraction results from IEBS-6 and HBT-1 were not completed. The missing analyses and discussion of the results will be included in next year’s report. New characterization that was completed includes scanning electron microscopy of reaction products from IEBS-6, quantitative X-ray diffraction results are presented from IEBS-1 through IBES-5, preliminary scanning electron microscope images and chemical analyses for IEBS-6, X-ray diffraction of the clay fraction from all experiments, measurement/imaging of mineral growth on the surface of steel coupons. Major observations pertaining to bentonite stability in a Grimsel Granodiorite environment include the stability of Na-montmorillonite at 250°C, the formation of trace CSH phases, and the formation of bentonite colloids on experiment cooling. The addition of a cured chip of Portland cement to the bentonite-Grimsel system results in slightly higher pH values and the formation of diverse secondary mineral phases that were not observed in the previous experiments (e.g., analcime, garronite, CSH phases). The new characterization efforts related to the interaction of stainless-steel coupons and bentonite clay focused on thickness and mineralogy of phases that formed at the steel surface. In Wyoming bentonite + Grimsel Granodiorite systems, newly formed minerals at the bentonitesteel coupon interface included alteration of the outermost steel edge to Fe,Cr-oxide phases, followed by Fe-rich phyllosilicates (Fe-saponite, chlorite) and interbedded Fe,Cr,Ni-sulfide phases (pentlandite). Hydrothermal experiments were completed to assess uranium-carbonate complexation at conditions relevant to high-temperature disposal. Autoclave solubility experiments were conducted at 150 to 250ºC with a range of carbonate and uranium concentrations. The experiment results were characterized via situ UV-Visible spectroscopy and synchrotron-based in situ XAS techniques. Results show a significant decrease in the stability of uranyl-carbonate complexes at temperatures above 100ºC along with the precipitation of uranium oxides. Further, at T > 200ºC, results show that uranyl-hydroxyl complexes control solubility of uranium instead of the previously predicted uranyl-carbonate species. These results are significant for understanding the mobility of uranium in the EBS, which will likely contain carbonate-rich fluids. International research efforts focused on three main areas: 1) participation in international conferences, 2) building collaborations with foreign repository programs, and 3) the initiation of an experimental program to complement the full-scale HotBENT test at the Grimsel test site. This experiment included Wyoming bentonite + low carbon steel + Grimsel Granodiorite synthetic groundwater and was run at the planned maximum temperature of the HotBENT test (200°C). Complete characterization of reaction products was hindered by disruptions to laboratory work but will be reported in the next FY. The experimental results obtained in FY-20 continue to document the wide-ranging effects of bulk composition and pressure-temperature conditions in the mineralogical and geochemical evolution of a high-temperature repository environment. Concepts developed will be used to inform models of long-term material stability in a generic crystalline rock-hosted repository.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Two Delayed Critical 15-Inch-Diameter Interacting Enriched (93.14) Uranium Metal Cylinders without Moderator and Reflector
This report documents very accurately the configuration and the materials for experiments with two unmoderated, unreflected, interacting, coaxial, highly enriched, 15-in.-diameter, uranium metal cylinders performed at the Oak Ridge Critical Experiments Facility (ORCEF) in May to Aug 1963 and described in logbook E-19 and E -20 associated with experiments in the East cell of ORCEF. Measurements were also performed in April and May of 1965 and described in logbooks E-22 and E-23 The information is sufficiently accurate that it can be used as the basis for preparation of benchmarks for International Criticality Safety Benchmark Program (ICSBEP) at Idaho National laboratory. The thickness of the cylinders was varied and the spacing between them was adjusted to achieve a delayed critical configuration. The average enrichment of the uranium metal was 94.14 wt. % 235 U. The heights of the 15-in.-diameter, equal-height cylinders varied from 1-5/8 to 3.0-inches. All interacting cylinders were assembled coaxially with their flat faces parallel and their combined masses varied between 182 and 325 kilograms of HEU metal. The data from these 12 experiments described would be acceptable for use as criticality safety benchmark experiments for the ICSBEP and EURATOM’s Nuclear Energy Agency nuclear criticality safety benchmark program, once the uncertainty analysis is completed. Based on previous ICSBEP benchmarks with this enriched uranium metal at ORCEF, it is expected that the uncertainties in k eff could be as low as ± 0.0002.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Three Delayed Critical 15-Inch-Diameter Interacting Enriched (93.14) Uranium Metal Cylinders Without Moderator and Reflector
This report documents very accurately the configuration and the materials for experiments with three unmoderated, unreflected, interacting, coaxial, highly enriched, 15-in.-diameter, uranium metal cylinders performed at the Oak Ridge Critical Experiments Facility (ORCEF) in August and September 1963 and described in logbook E 20 associated with experiments in the East cell of ORCEF. The information is sufficiently accurate that it can be used as the basis for preparation of benchmarks for International Criticality Safety Benchmark Program (ICSBEP) at Idaho National laboratory. The thickness of the cylinders was varied and the spacing between them was adjusted to achieve a delayed critical configuration. The average enrichment of the uranium metal was 94.14 wt. % 235U. The heights of the 15-in.-diameter, equal-height cylinders varied from 1-1/8to 2.00 inches. All interacting cylinders were assembled coaxially with their flat faces parallel and their combined masses varied between 182 and 325 kilograms of HEU metal. The data from these six experiments described are judged to be acceptable for use as criticality safety benchmark experiments for the ICSBEP and EURATOM’s Nuclear Energy Agency nuclear criticality safety benchmark program, once the uncertainty analysis is completed. Based on previous ICSBEP benchmarks with this enriched uranium metal at ORCEF, it is expected that the uncertainties in measured keff could be as low as ± 0.0002.
36 MATERIALS SCIENCE↗
Binding of gold(III) with silver(I) dipropyldithiocarbamate: supramolecular self-assembly (role of secondary Au…S and Ag…S bonds) and thermal behavior of the ionic-polymer complex ([Au(S{sub 2}CNPr{sub 2}){sub 2}][AgCl{sub 2}]){sub n}
The double ionic-polymer complex ([Au(S{sub 2}CNPr{sub 2}){sub 2}][AgCl{sub 2}]){sub n} (1) was prepared as an individual fixation form of gold(III) from NaCl solutions with silver(I) dipropyldithiocarbamate and was characterized by single-crystal X-ray diffraction and {sup 13}C magic-angle spinning (MAS) NMR spectroscopy. The structure of 1 comprises two nonequivalent centrosymmetric complex cations [Au(S{sub 2}CNPr{sub 2}){sub 2}]{sup +} (A and B) and the discrete linear anion [AgCl{sub 2}]{sup –}. Gold(III) cations are linked by pairs of unsymmetrical secondary Au…S bonds to form linear supramolecular chains (…A…B…)n. Neighboring cations are additionally linked by [AgCl{sub 2}]{sup –} anions via secondary Ag…S and Cl…S bonds, the anions being involved in the overall stabilization of the supramolecular structure. The cation–anion interactions lead to a distortion of the linear configuration of the [AgCl{sub 2}]{sup –} anion. The character of thermolysis of 1 accompanied by quantitative regeneration of bound Au and Ag was established by simultaneous thermal analysis.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Generation of a controllable TNSA deuteron beam using deuterated metal targets
This study investigated the feasibility of using deuterated titanium targets for the generation of a target normal sheath acceleration (TNSA) deuteron beam. Commercial 25-μm-thick titanium foil was cut into 500 x 500-μm 2 squares and subsequently deuterated using different approaches. The spectra and total yields of all emitted ions were measured using a Thomson parabola ion spectrometer. It was found that a 24-h exposure to 1 atm of D 2 gas at 400°C is the most-efficient deuteration method, producing yields in the mid-10 11 deuterons per shot. The deuteron energy spectra changed from an exponential shape at low ion yields to exponentially modified Gaussians at higher yields. Simulations suggest that this effect is due to increased Coulomb interactions between the ions, which suppress the low energies. Separate campaigns will utilize the presented approach to produce a TNSA triton beam. Furthermore, two such targets will be used in a pitcher/catcher configuration to study the tritium–tritium reaction T(t, 2n)α.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Ab initio many-fermion structure calculations on a quantum computer
To overcome the limitations of existing algorithms for solving self-bound quantum many-body problems—such as those encountered in nuclear and particle physics—that access only a restricted subset of energy levels and provide limited structural information, we introduce and demonstrate a novel quantum-classical approach capable of resolving the complete bound-state spectrum. This method also provides the total angular momentum 𝐽 associated with each eigenstate. Here, our approach is based on expressing the Hamiltonian in second-quantized form within a novel input model combined with a scan scheme, enabling broad applicability to configuration-interaction calculations across diverse fields. We apply this hybrid method to compute, for the first time, the bound-state spectrum together with corresponding 𝐽 values of 20 O using a realistic strong-interaction Hamiltonian. Our approach applies to hadron spectra and 𝐽 values solved in the relativistic basis light-front quantization approach.
Du, Weijie [Chinese Academy of Sciences (CAS), Lan↗
Two Delayed Critical 7-Inch-Diameter Interacting Enriched (93.14) Uranium Metal Cylinders without Moderator and Reflector
This report documents very accurately the configuration and the materials for experiments with two unmoderated, unreflected, interacting, coaxial, highly enriched, 7-in.-diameter, uranium metal cylinders performed at the Oak Ridge Critical Experiments Facility (ORCEF) in April 1963 and described in logbook E-19 associated with experiments in the East cell of ORCEF. The information is sufficiently accurate that it can be used as the basis for preparation of benchmarks for International Criticality Safety Benchmark Program (ICSBEP) at Idaho National laboratory. The thickness of the cylinders was varied and the spacing between them was adjusted to achieve a delayed critical configuration. The average enrichment of the uranium metal was 94.15 wt. % 235 U. The heights of the 7-in.-diameter, equal-height cylinders varied from 2 5/8 to 3 1/4 inches. All interacting cylinders were assembled coaxially with their flat faces parallel and their combined masses varied between 62 and 76 kilograms of HEU metal. The data from these six experiments described are judged to be acceptable for use as criticality safety benchmark experiments for the ICSBEP and EURATOM’s Nuclear Energy Agency nuclear criticality safety benchmark program, once the uncertainty analysis is completed. Based on previous ICSBEP benchmarks with this enriched uranium metal at ORCEF, it is expected that the uncertainties in k eff could be as low as ± 0.0002.
07 ISOTOPE AND RADIATION SOURCES↗
Effects of 2 particle–2 hole configurations on dipole states in neutron-rich N = 80–84 isotones
Starting from the Skyrme interaction SLy4 we study the effects of 2 particle–2 hole configurations on the low-energy electric dipole response in {sup 130–134}Sn. It is shown that the pygmy dipole resonance properties are correlated with the neutron skin thickness. The two-phonon configurations give a considerable contribution to the low-lying E1 strength.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Coupled-cluster theory for strong entanglement in nuclei
Atomic nuclei can exhibit shape coexistence and multireference physics that enters in their ground states, and accurately capturing the ensuing correlations and entanglement is challenging. Here, we address this problem by applying single-reference coupled-cluster theory based on spherical and deformed reference states and the tailored coupled-cluster method. The latter combines configuration interactions to capture static correlations with coupled-cluster theory for dynamic correlations. We compute the atomic nuclei 12 C, 28 Si, and 56 Ni and find that the tailored coupled-cluster method and the single-reference approach based on a deformed Hartree-Fock state yield the most accurate results.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Investigating the crust of neutron stars with neural-network quantum states
An accurate description of low-density nuclear matter is crucial for explaining the physics of neutron star crusts. In the density range between approximately 0.01 fm −3 and 0.1 fm −3 , matter transitions from neutron-rich nuclei to various higher-density pasta shapes, before ultimately reaching a uniform liquid. In this work, we introduce a variational Monte Carlo method based on a neural Pfaffian-Jastrow quantum state, which allows us to model the transition from the liquid phase to neutron-rich nuclei microscopically. At low densities, nuclear clusters dynamically emerge from the microscopic interactions among protons and neutrons, which we model based on pionless effective field theory. Our variational Monte Carlo approach represents a significant improvement over the state-of-the-art auxiliary-field diffusion Monte Carlo method, which is severely hindered by the fermion-sign problem in this low-density regime and cannot capture the onset of clusters. In addition to computing the energy per particle of symmetric nuclear matter and pure neutron matter, we analyze an intermediate isospin-asymmetry configuration to elucidate the formation of nuclear clusters. We also provide evidence that the presence of such nuclear clusters influences the amount of protons in the crust compared to protons in beta-equilibrated, neutrino-transparent matter.
Nuclear astrophysics↗
Strong field physics and QED experiments with ELI-NP 2×10PW laser beams
The ELI-NP facility will focus a 10 PW pulsed laser beam at intensities of ∼10{sup 23} W/cm{sup 2} for the first time, enabling investigation of the new physical phenomena at the interfaces of plasma, nuclear and particle physics. The electric field in the laser focus has a maximum value of ∼10{sup 15} V/m at such laser intensities. In the ELI-NP Experimental Area E6, we propose the study of Radiation Reaction, Strong Field Quantum Electrodynamics (QED) effects and resulting production of Ultra-bright Sources of Gamma-rays which could be used for nuclear activation. Two powerful, synchronized 10 PW laser beams will be focused in the E6 Interaction Chamber on either gas or solid targets. One 10 PW beam is the Pump-beam and the other is the Probe-beam. The focused Pump beam accelerates the electrons to relativistic energies. The accelerated electron bunches interact with the very high electro-magnetic field of the focused Probe beam. The layout of the experimental area E6 will be presented with several options for the experimental configurations.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗