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At least 181 records · Page 10

The convergence of quadrupole rotational invariants from the nuclear shell model

Nuclei exhibit both single-particle and collective degrees of freedom, with the latter often subdivided into vibrational and rotational motions. Experimentally identifying the relative roles of these collective modes is extremely challenging, particularly in the face of possible shape coexistence. Model-independent, invariant quantities describing the deformation of a nucleus in the intrinsic frame have long been known but their determination potentially requires a large quantity of experimental data to achieve convergence. Through comparison with the nuclear shell model, the question of convergence is addressed. Shell-model calculations performed in the sd- and pf-shell model spaces are used to determine electric-quadrupole matrix elements for a multitude of low-lying states using the first 40 states of the relevant spins. Relative contributions to the rotationally invariant quantities from multiple states can therefore be determined. It is found that, on average, the inclusion of four intermediate states results in the leading-order invariant, $\langle\hat{Q^2}\rangle$, converging to within 10% of its true value and the triaxiality term, cos (3δ), converging to its true value, though some variance remains. Higher-order quantities relating to the softness of the nuclear shape are found to converge more slowly. The convergence of quadrupole rotationally invariant sum rules was quantified in the sd- and pf-shell model spaces and indicates the challenge inherent in a full determination of nuclear shape. The present study is limited to relatively small valence spaces. Finally, larger spaces, such as the rare-earth region, potentially offer faster convergence.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Deformation localisation in ion-irradiated Fe and Fe10Cr

Determining the mechanisms for irradiation-induced ductility loss is crucial for the design of reactor structural components. Here, the deformation characteristics around nanoindents in Fe and Fe10Cr irradiated with Fe ions to ~1 displacement-per-atom at 313 K are non-destructively studied. Slip steps surrounding the nanoindents indicate that deformation is localised in the irradiated materials. Lattice rotation and strain fields near the indent site show over 87% confinement of plasticity in the irradiated material. Cr has little effect on the irradiation-induced changes in pile-up topography and deformation fields, suggesting it has limited impact on retaining strain hardening capacity and reducing irradiation-induced embrittlement.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Microstructure and Mechanical Performance of the Friction Stir Welds Made on Neutron-Irradiated Steel with Helium

This report describes new experimental results on the microstructure and mechanical performance of the friction stir welds made on neutron-irradiated steel with helium. The report focuses on helium-related issues, specifically, helium-induced degradation in the welded joint, aiming to repair irradiated components of nuclear power plants (NPPs). The friction stir welds analyzed here were produced at Oak Ridge National Laboratory previously, and limited characterization work was performed, mostly addressing the presence or absence of macroscopic cracks. The present work attempts to perform a more comprehensive study to assess microstructure conditions, grain size, plastic strain gradients, the morphology of the helium-induced damage, and deformation behavior.

42 ENGINEERING↗

From closed shells to open shells: Coupled-cluster calculations of atomic nuclei

Coupled-cluster theory is a powerful tool for first-principles calculations of atomic nuclei, enabling accurate predictions of nuclear observables across the Segrè chart. While coupled-cluster computations are especially efficient at shell closures, extensions have been developed to tackle open-shell nuclei, by exploiting the equation-of-motion method or by expanding the coupled-cluster wave function on top of a symmetry-breaking (either deformed or superfluid) reference state. In this study, we provide a comprehensive comparison of these different formulations applied to the calcium and nickel isotopes using nuclear two-and three-body interactions from chiral effective field theory. Here, based on ground-state energies, two-neutron separation energies, and two-neutron shell gaps, different coupled-cluster computations—based on symmetry-broken reference states and equationof-motion techniques— offer consistent descriptions of bulk properties across medium-mass isotopic chains.

Marino, Francesco [Johannes Gutenberg-Universität ↗

Nucleon localization function in rotating nuclei

An electron localization function was originally introduced to visualize in positional space bond structures in molecules. It became a useful tool to describe electron configurations in atoms, molecules, and solids. In nuclear physics, a nucleon localization function (NLF) has been used to characterize cluster structures in light nuclei, formation of fragments in fission, and pasta phases appearing in the inner crust of neutron stars. In the case of a deformed rotating nucleus, several NLFs can be introduced, depending on the definition of the spin-quantization axis, direction of the total angular momentum, and self-consistent symmetries of the system. Contributions to the NLF from the current density, spin-current tensor density, and density gradient terms are negligible in the nuclear interior. The oscillating pattern of the simplified NLF can be explained in terms of a constructive interference between kinetic-energy and particle densities. The characteristic nodal pattern seen in the NLF in the direction of major axis of a rotating nucleus comes from single-particle orbits carrying large aligned angular momentum. The variation of the NLF along the minor axis of the nucleus can be traced back to deformation-aligned orbits.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Neutron diffraction illustrates residual stress behavior of welded alloys used as radioactive confinement boundary

Corrosion-resistant welded alloys are frequently used as a leak-tight boundary in critical applications that require confinement of hazardous and/or radioactive substances, including an increasing population of spent nuclear fuel (SNF) canisters. The behavior of residual stresses generated as a result of irregular elastic–plastic deformation during processes such as welding is one of today's key issues to a full understanding of the aging mechanisms that may compromise the confinement boundary. Whether such processes and any subsequent weld repairs, not subjected to post-weld heat treatment, would negatively affect the initial material by introducing through-thickness tensile stresses remains an open question. Here we report the first residual stress measurements using neutron diffraction on the welded joints of a SNF canister. We found significant tensile residual stresses in the as welded sample, indicating that initiation and through-thickness growth of cracks may be possible. Following repair, we observed a stress redistribution and introduction of beneficial compressive stresses. We anticipate our results will improve understanding of confinement susceptibility to aging and guide improvements in repair techniques.

36 MATERIALS SCIENCE↗

Damage initiation and evolution in Al-Si layered microstructures under shock loading conditions at atomic scales

Designing materials with microstructural features like multiphase interfaces have shown significant promise for usage in the next generation defense and nuclear applications. The dynamic response of these interfaces in extreme environments is observed to vary with the deformability of individual phases, which could subsequently alter the favored damage nucleation sites related to spall failure. Here, we investigate the role of spacing of interfaces in a nanocrystalline layered Aluminum-Silicon system on the shock wave propagation behavior, and microstructural and defect evolution using classical molecular dynamics simulations. The simulations are carried out with different hypothetical Al/Si microstructures including variations in the distribution of Si grains as layers in a nanocrystalline Al matrix. The molecular dynamics simulations suggest that spall failure is preferentially initiated at Al/Si interfaces. In addition, for the same system volume and same concentration of Si, a higher number of layers is marked by an increase in shock wave velocity and reduced resistance to spall failure.

36 MATERIALS SCIENCE↗

TReactMech v4.217

TReactMech couples geomechanical processes (poroelasticity, failure, and inelastic strain) with multiphase nonisothermal flow (derived from TOUGH2) and reactive geochemical transport. At its core is the reactive-transport code TOUGHREACT v4.13. TReactMech is an efficient hybrid parallel simulator, solving the geomechanics using finite elements and MPI/PetSc, the multiphase flow using integrated finite difference and MPI/PETSc, and the reactive chemistry using OpenMP. The advantages of TReactMech are in its multiphase flow capabilities (e.g., supercritical CO2, supercritical water, air) and parallel geomechanics including full 3-D stress tensor, shear and tensile failure, coupled to porosity and permeability changes. It is backwardly compatible with TOUGH2 and TOUGHREACT v4.13, allowing for easier transitions between the codes. TReactMech can be used to simulate many natural and engineered subsurface systems, including geothermal reservoirs, borehole heat exchangers, geologic carbon sequestration, geologic storage of nuclear waste, groundwater resources, weathering, sediment diagenesis, seafloor hydrothermal circulation, hydrofracturing in unconventional reservoirs, and injection/production-induced surface deformation.

Sonnenthal, Eric↗

Rolling Behavior of Surface Tagged Aluminum 6061 using Photoluminescent Oxides

Physical tagging of nuclear fuel is potentially one way of tracking throughout the fuel lifecycle. The process of tagging can take many forms, but one promising method is to embed a small amount of photoluminescent particles in the surface of a material which are not detectable under normal illumination but are readily visible under excitation by ultraviolet light. The goal of this project was to explore the potential to tag simulated nuclear fuel cladding with small ceramic particles, via laser beam welding or gas tungsten arc welding, and measure the photoluminescent response. Surface tagging using this method has demonstrated viability and detectability throughout this project; work in FY24 focused on the survivability of these tags through subsequent deformation processing similar to what taggants in a fuel manufacturing environment would be subjected to. This work demonstrated that particles are readily visible in the as-welded state (i.e., before subsequent rolling treatment to represent mechanical processing of a fuel material), but visibility is reduced as the deformation is induced. Despite the reduction in photoluminescence, the taggants are still visible after rolling processes are performed, making this surface tagging technique a promising candidate for nuclear fuel cladding tagging. This work demonstrated, though, that targeted optimization work would be necessary to develop a robust taggant depending on the fidelity and luminescent properties required.

36 MATERIALS SCIENCE↗

New Covariant Density Functionals of Nuclear Matter for Compact Star Simulations

We generate three families of extended covariant density functionals of nuclear matter that have varying slope of symmetry energy and skewness at nuclear saturation density, but otherwise share the same basic parameters (symmetry energy, compressibility, saturation parameters, etc.) with the standard DDME2, DD2, and MPE functionals. Tables of the parameters of these new density functionals are given, which can be straightforwardly used in DDME2, DD2, and MPE parameterization-based codes. Furthermore, we provide tables of a large number of equations of state (81 for each family) that can be used in astrophysical simulations to assess the impact of variations of the not-well-known slope of symmetry energy and skewness of nuclear systems on the astrophysics of compact objects. We also provide tables of computed integral parameters (mass, radius, and tidal deformability) that can be used, e.g., for modeling gravitational waveforms. Finally, for the extended DDME2-based parameterization, we implement a first-order phase transition to quark matter to obtain a family of equations of state that accommodates a phase transition to quark matter. Analogous tables of the equations of state and integral parameters are provided for this case as well.

79 ASTRONOMY AND ASTROPHYSICS↗

The role of irradiation on deformation-induced martensitic phase transformations in face-centered cubic alloys

Localized deformation, including that by the deformation-induced shearing martensitic phase transformation, is responsible for hardening and embrittlement in irradiated face-centered cubic alloys. These localized deformation processes can have profound consequences on the mechanical integrity of common structural metals used in extreme radiation environments such as nuclear reactors. This article aims to review and understand exactly how irradiation affects the martensitic phase transformation in face-centered cubic alloys, with an emphasis on austenitic stainless steel, given its ubiquity in the archival literature. The influence of irradiation on stacking fault energy and subsequent implications on the phase transformation are discussed. Mechanisms by which irradiation-induced microstructures enhance the phase transformation are also described, including the surface energy contribution of irradiation-induced cavities (i.e., voids and bubbles) toward the critical martensite nucleation energy, and partial dislocation–cavity interactions. In conclusion, a deformation mechanism map illustrates how irradiation-induced cavities can modulate the martensitic transformation pathway.

36 MATERIALS SCIENCE↗

Finding Structure in the Speed of Sound of Supranuclear Matter from Binary Love Relations

Analyses that connect observations of neutron stars with nuclear-matter properties can rely on equation-of-state insensitive relations. We show that the slope of the binary Love relations (between the tidal deformabilities of binary neutron stars) encodes the baryon density at which the speed of sound rapidly changes. Twin stars lead to relations that present a signature “hill,” “drop,” and “swoosh” due to the second (mass-radius) stable branch, requiring a new description of the binary Love relations. Together, these features can reveal new properties and phases of nuclear matter.

79 ASTRONOMY AND ASTROPHYSICS↗

MOOSE-Based Fast Reactor Core Bowing Capabilities: Coupled Structural Mechanics – Thermal Fluids Demonstration and Related Verification Efforts

Under the U.S. Department of Energy Office of Nuclear Energy’s Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism in liquid metal-cooled fast reactors and involves multiphysics effects including radiation transport, fluid flow, heat transfer, and mechanical response to temperature and flux gradients. Verification and assessment efforts continued on the Multiphysics Object Oriented Simulation Environment (MOOSE) capabilities relevant for modeling thermo-mechanical core bowing behavior. IAEA Verification Problem 4, which was started in FY23, was further examined with MOOSE capabilities to rectify discrepancies observed in previous years when compared to IAEA benchmark participant data. Meshing and postprocessing capabilities in MOOSE were also advanced by other teams and utilized this year. A thermal fluids-structural mechanical coupling demonstration has performed on 7-assemblyand 19-assembly fast reactor assembly configurations using MOOSE. Subchannel capabilities are used to calculate coolant temperature, and heat conduction capabilities calculate duct wall temperature as well as heat transfer through the inter-assembly gap. Structural mechanical capabilities then deform the mesh, accounting for contact between assemblies, according to the temperature gradients calculated by the thermal solvers. Power distributions are imposed rather than calculated to demonstrate different deformations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Overview of a Versatile Loading System for Anisotropic Material Property Characterization

Additive manufacturing, cold rolling, and other thermomechanical treatments on metals, especially HCP, can cause texture and oriented grain structures resulting in anisotropic mechanical properties. This can lead to macroscopic response that significantly deviates from isotropic assumptions which motivates studying mechanical properties in multiple directions. In addition, multiaxial loading and complex stress states overlapping the above mentioned material anisotropy can lead to unexpected outcomes. Idaho National Laboratory developed an advanced mechanical testing system to study a range of uniaxial to multiaxial stress states while measuring the anisotropic response bringing insight into the overlap between material properties and stress states. High-temperature capability and stress- or strain-controlled loading is available to enable a variety of experiment types and conditions to measure elastic, plastic, and viscoplastic properties. This poster presents the design and capabilities of this system with preliminary results highlighting the benefits of multiaxial loading and anisotropic analysis in an integrated system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Search for the 1/2 + intruder state in 35 P

The excitation energy of deformed intruder states (specifically the 2p2h bandhead) as a function of proton number Z along N = 20 is of interest both in terms of better understanding the evolution of nuclear structure between spherical Ca 40 and the Island of Inversion nuclei, and for benchmarking theoretical descriptions in this region. At the center of the N = 20 Island of Inversion, the n p n h (where n = 2 , 4 , 6 ) neutron excitations across a diminished N = 20 gap result in deformed and collective ground states, as observed in Mg 32 . In heavier isotones, n p n h excitations do not dominate in the ground states but are present in the relatively low-lying level schemes. With the aim of identifying the expected 2 p 2 h x s 1 / 2 + state in P 35 , the only N = 20 isotone for which the neutron 2p2h excitation bandhead has not yet been identified, the S 36 ( d , He 3 ) P 35 reaction has been revisited in inverse kinematics with the HELical Orbit Spectrometer (HELIOS) at the Argonne Tandem Linac Accelerator System (ATLAS). While a candidate state has not been located, an upper limit for the transfer reaction cross section to populate such a configuration within a 2.5 to 3.6 MeV energy range provides a stringent constraint on the wave function compositions in both S 36 and P 35 .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Deformed spin- 1 2 square lattice in antiferromagnetic NaZnVOPO 4 ( HPO 4 )

In this work, we report the structural and magnetic properties of a new spin-$\frac{1}{2}$ antiferromagnet NaZnVOPO 4 (HPO 4 ) studied via x-ray diffraction, magnetic susceptibility, high-field magnetization, specific heat, and 31 P nuclear magnetic resonance (NMR) measurements, as well as density-functional band-structure calculations. While thermodynamic properties of this compound are well described by the J 1 – J 2 square-lattice model, ab initio calculations suggest a significant deformation of the spin lattice. From fits to the magnetic susceptibility we determine the averaged nearest-neighbor and second-neighbor exchange couplings of $\bar{J}$ 1 ≃ – 1.3 K and $\bar{J}$ 2 ≃ 5.6 K , respectively, resulting in the effective frustration ratio α = $\bar{J}$ 2 – $\bar{J}$ 1 ≃ – 4.3 that implies columnar antiferromagnetic order as the ground state. Experimental saturation field of 15.3 T is consistent with these estimates if 20% spatial anisotropy in J 1 is taken into account. Specific heat data signal the onset of a magnetic long-range order at T N ≃ 2.1 K , which is further supported by a sharp peak in the NMR spin-lattice relaxation rate. The NMR spectra mark the superposition of two P lines due to two nonequivalent P sites where the broad line with the strong hyperfine coupling and short T 1 is identified as the P(1) site located within the magnetic planes, while the narrow line with the weak hyperfine coupling and long T 1 is designated as the P(2) site located between the planes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Evaluation of accuracy and convergence of numerical coupling approaches for poroelasticity benchmark problems

Accurate modeling of subsurface flow and transport processes is vital as the prevalence of subsurface activities such as carbon sequestration, geothermal recovery, and nuclear waste disposal increases. Computational modeling of these problems leverages poroelasticity theory, which describes coupled fluid flow and mechanical deformation. Although fully coupled monolithic schemes are accurate for coupled problems, they can demand significant computational resources for large problems. In this work, a fixed stress scheme is implemented into the Sandia Sierra Multiphysics toolkit. Two implementation methods, along with the fully coupled method, are verified with one-dimensional (1D) Terzaghi, 2D Mandel, and 3D Cryer sphere benchmark problems. The impact of a range of material parameters and convergence tolerances on numerical accuracy and efficiency was evaluated. Overall the fixed stress schemes achieved acceptable numerical accuracy and efficiency compared to the fully coupled scheme. However, the accuracy of the fixed stress scheme tends to decrease with low permeable cases, requiring the finer tolerance to achieve a desired numerical accuracy. For the fully coupled scheme, high numerical accuracy was observed in most of cases except a low permeability case where an order of magnitude finer tolerance was required for accurate results. Finally, a two-layer Terzaghi problem and an injection–production well system were used to demonstrate the applicability of findings from the benchmark problems for more realistic conditions over a range of permeability. Simulation results suggest that the fixed stress scheme provides accurate solutions for all cases considered with the proper adjustment of the tolerance. Furthermore, this work clearly demonstrates the robustness of the fixed stress scheme for coupled poroelastic problems, while a cautious selection of numerical tolerance may be required under certain conditions with low permeable materials.

58 GEOSCIENCES↗

Deformation and Collectivity in Doubly Magic 208 Pb

Lead-208 is the heaviest known doubly magic nucleus and its structure is therefore of special interest. Despite this magicity, which acts to provide a strong restorative force toward sphericity, it is known to exhibit both strong octupole correlations and some of the strongest quadrupole collectivity observed in doubly magic systems. In this Letter, we employ state-of-the-art experimental equipment to conclusively demonstrate, through four Coulomb-excitation measurements, the presence of a large, negative, spectroscopic quadrupole moment for both the vibrational octupole 3$^{−}_{1}$ and quadrupole 2$^{+}_{1}$ state, indicative of a preference for prolate deformation of the states. The observed quadrupole moment is discussed in the context of the expected splitting of the 3 − ⊗3 − two-phonon states, due to the coupling of the quadrupole and octupole motion. These results are compared with theoretical values from three different methods, which are unable to reproduce both the sign and magnitude of this deformation. Thus, in spite of its well-studied nature, 208 Pb remains a puzzle for our understanding of nuclear structure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗