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At least 145 records · Page 8

Exotic physical properties in metallic perovskite LaRuO 3 : Strong evidence for Hund metal

The Hund's coupling rule is of fundamental importance in atomic physics. It also plays a key role in the determination of physical properties in strongly correlated electron systems where the Fermi energy lies in multiple bands. Here we report a thorough investigation of a rarely studied 4d perovskite oxide LaRuO 3 by a suite of measurements including transport, magnetization, specific heat, thermoelectric power, thermal conductivity, and neutron and x-ray diffraction. Our results are consistent with theoretical predictions, which makes LaRuO 3 an exemplary Hund metal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Understanding grain boundary segregation under irradiation: A mesoscale modeling study

Grain boundaries (GBs) are an important component in the design of irradiation resistant materials as they play a crucial role as point defect sinks for non-equilibrium vacancies and self-interstitials. However, in the presence of sustained point defect fluxes, the coupled transport of atomic components with inherently different diffusivities often leads to radiation-induced segregation (RIS), with undesired effects on properties such as intergranular corrosion and stress-assisted cracking. In this talk, we investigate the fundamental mechanisms leading to GB segregation in BCC FeCr-based alloys using multiscale modeling and experiments. A phase-field model is employed to account for both thermodynamic and kinetic segregation mechanisms. The full Onsager transport matrix is derived using kinetic Monte Carlo, molecular dynamics, and kinetic cluster expansion (KineCluE) calculations. The thermodynamics of GB segregation is described via an atomic density-based modification to the CALPHAD free energy. The modeling predictions are then compared against segregation data from atom probe characterization for various temperatures, compositions, and neutron irradiation conditions. We will conclude by discussing the utility of the multiscale modeling approach to shed light on the fundamental mechanisms leading to solute-GB interaction.

36 MATERIALS SCIENCE↗

Fast X-Ray Timing: A Window into the Strong-Field Regime

The dynamical time-scales in the vicinity of neutron star surfaces and black hole horizons are in the millisecond range. Over the past decade, timing signatures on such scales, either quasi-periodic oscillations (QPOs) and/or coherent pulsations, have been discovered and studied from both neutron stars and black holes with NASA's Rossi X-ray Timing Explorer, Although theoretical interpretations are still hotly debated, these timing properties almost certainly reflect the dynamics of matter in regions dominated by relativistic gravity. I will survey our current understanding of these timing properties, with a focus on how they might he used as probes of fundamental physics.

Strohmayer, Tod↗

Novel scalings of neutron star properties from analyzing dimensionless Tolman–Oppenheimer–Volkoff equations

The Tolman–Oppenheimer–Volkoff (TOV) equations govern the radial evolution of pressure and energy density in static neutron stars (NSs) in hydrodynamical equilibrium. Using the reduced pressure and energy density with respect to the NS central energy density, the original TOV equations can be recast into dimensionless forms. While the traditionally used integral approach for solving the original TOV equations require an input nuclear Equation of State (EOS), the dimensionless TOV equations can be anatomized by using the reduced pressure and energy density as polynomials of the reduced radial coordinate without using any input nuclear EOS. It has been shown in several of our recent works that interesting and novel perspectives about NS core EOS can be extracted directly from NS observables by using the latter approach. Our approach is based on intrinsic and perturbative analyses of the dimensionless (IPAD) TOV equations (IPAD-TOV). In this review article, we first discuss the length and energy density scales of NSs as well as the dimensionless TOV equations for scaled variables and their perturbative solutions near NS cores. We then review several new insights into NS physics gained from solving perturbatively the scaled TOV equations. Whenever appropriate, comparisons with the traditional approach from solving the original TOV equations will be made. In particular, we first show that the nonlinearity of the TOV equations basically excludes a linear EOS for dense matter in NS cores. We then show that perturbative analyses of the scaled TOV equations enable us to reveal novel scalings of the NS mass, radius and the compactness with certain combinations of the NS central pressure and energy density. Thus, observational data on either mass, radius or compactness can be used to constrain directly the core EOS of NS matter independent of the still very uncertain nuclear EOS models. As examples, the EOS of the densest visible matter in our Universe before the most massive neutron stars collapse into black holes (BHs) as well as the central EOS of a canonical or a 2.1 solar mass NS are extracted without using any nuclear EOS model. In addition, we show that causality in NSs sets an upper bound of about 0.374 for the ratio of pressure over energy density and correspondingly a lower limit for trace anomaly in supra-dense matter. We also demonstrate that the strong-field gravity plays a fundamental role in extruding a peak in the density/radius profile of the speed of sound squared (SSS) in massive NS cores independent of the nuclear EOS. Finally, some future perspectives of NS research using the new approach reviewed here by solving perturbatively the dimensionless TOV equations are outlined.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Noncentrosymmetric Triangular Magnet CaMnTeO 6 : Strong Quantum Fluctuations and Role of s 0 versus s 2 Electronic States in Competing Exchange Interactions

Abstract Noncentrosymmetric triangular magnets offer a unique platform for realizing strong quantum fluctuations. However, designing these quantum materials remains an open challenge attributable to a knowledge gap in the tunability of competing exchange interactions at the atomic level. Here, a new noncentrosymmetric triangular S = 3/2 magnet CaMnTeO 6 is created based on careful chemical and physical considerations. The model material displays competing magnetic interactions and features nonlinear optical responses with the capability of generating coherent photons. The incommensurate magnetic ground state of CaMnTeO 6 with an unusually large spin rotation angle of 127°(1) indicates that the anisotropic interlayer exchange is strong and competing with the isotropic interlayer Heisenberg interaction. The moment of 1.39(1) µB , extracted from low‐temperature heat capacity and neutron diffraction measurements, is only 46% of the expected value of the static moment 3 µB . This reduction indicates the presence of strong quantum fluctuations in the half‐integer spin S = 3/2 CaMnTeO 6 magnet, which is rare. By comparing the spin‐polarized band structure, chemical bonding, and physical properties of AMnTeO 6 ( A = Ca, Sr, Pb), how quantum‐chemical interpretation can illuminate insights into the fundamentals of magnetic exchange interactions, providing a powerful tool for modulating spin dynamics with atomically precise control is demonstrated.

36 MATERIALS SCIENCE↗

Anderson acceleration stability in NDA-accelerated k-eigenvalue problems

Anderson acceleration (AA) has been used to improve the stability and convergence rate of multiphysics iterative methods for reactor analysis. Most applications studied assume a tightly converged solution for the different physics problems, and AA is usually applied to state variables like temperature, density, and heat generation rate. In this paper, we study the theoretical performance of AA in NDA-accelerated k-eigenvalue problems. The problems and algorithms studied are simplified from the coupled iteration scheme adopted by MPACT and many other high-fidelity whole-core reactor codes. Compared to previous analyses of AA for these iteration schemes, we study the case with a partially converged neutronics solution and possibly partially converged nonlinear diffusion acceleration (NDA)/coarse mesh finite difference (CMFD) solutions. We observe that the performance of the iteration scheme with AA is very sensitive to the initial guess and is affected by the partially converged CMFD solutions. When the NDA solution is fully converged, using AA cannot achieve the optimal convergence rate in large-sized problems. Conversely, if the NDA solution is partially converged, the iteration scheme with AA can diverge or converge extremely slowly. It is found that the loss of robustness for AA is due to the fact that it is applied to the iterative subspace of state variables rather than the fundamental unknowns of the governing equations. To improve the robustness, the scalar flux should also be considered in the implementation of AA. After considering the residuals of flux, we observe that the stability is regardless of the partial convergence of NDA solutions. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Angular distribution of 𝛾 rays from a neutron-induced 𝑝-wave resonance of 132 Xe

A neutron-energy dependent angular distribution was measured for individual 𝛾 rays from the 3.2 eV 𝑝-wave resonance of 131 Xe+⁢𝑛, that shows enhanced parity violation owing to a mixing between 𝑠- and 𝑝-wave amplitudes. The 𝛾-ray transitions from the 𝑝-wave resonance were identified, and the angular distribution with respect to the neutron momentum was evaluated as a function of the neutron energy for 7132 keV 𝛾 rays, which correspond to a transition to the 1807 keV excited state of 132 Xe. The angular distribution is considered to originate from the interference between 𝑠- and 𝑝-wave amplitudes, and will provide a basis for a quantitative understanding of the enhancement mechanism of the fundamental parity violation in compound nuclei.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The Impact of Nuclear Physics Uncertainties on Galactic Chemical Evolution Predictions

Modeling the evolution of the elements in the Milky Way is a multidisciplinary and challenging task. In addition to simulating the ~13 billion years evolution of our Galaxy, chemical evolution simulations must keep track of the elements synthesized and ejected from every astrophysical site of interest (e.g., supernova, compact binary merger). The elemental abundances of such ejecta, which are a fundamental input for chemical evolution codes, are usually taken from theoretical nucleosynthesis calculations performed by the nuclear astrophysics community. Therefore, almost all chemical evolution predictions rely on the nuclear physics behind those calculations. In this proceedings article, we highlight the impact of nuclear physics uncertainties on galactic chemical evolution predictions. We demonstrate that nuclear physics and galactic evolution uncertainties both have a significant impact on interpreting the origin of neutron-capture elements in our Solar System. Those results serve as a motivation to create and maintain collaborations between the fields of nuclear astrophysics and galaxy evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

Snowmass2021 Cosmic Frontier White Paper: Future Gravitational-Wave Detector Facilities

The next generation of gravitational-wave observatories can explore a wide range of fundamental physics phenomena throughout the history of the universe. These phenomena include access to the universe's binary black hole population throughout cosmic time, to the universe's expansion history independent of the cosmic distance ladders, to stochastic gravitational-waves from early-universe phase transitions, to warped space-time in the strong-field and high-velocity limit, to the equation of state of nuclear matter at neutron star and post-merger densities, and to dark matter candidates through their interaction in extreme astrophysical environments or their interaction with the detector itself. We present the gravitational-wave detector concepts than can drive the future of gravitational-wave astrophysics. We summarize the status of the necessary technology, and the research needed to be able to build these observatories in the 2030s.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Controlling Noncollinear Ferromagnetism in van der Waals Metal–Organic Magnets

Van der Waals (vdW) magnets both allow exploration of fundamental 2D physics and offer a route toward exploiting magnetism in next generation information technology, but vdW magnets with complex, noncollinear spin textures are currently rare. We report here the syntheses, crystal structures, magnetic properties and magnetic ground states of four bulk vdW metal–organic magnets (MOMs): FeCl 2 (pym), FeCl 2 (btd), NiCl 2 (pym), and NiCl 2 (btd), pym = pyrimidine and btd = 2,1,3-benzothiadiazole. Using a combination of neutron diffraction and bulk magnetometry we show that these materials are noncollinear magnets. Although only NiCl 2 (btd) has a ferromagnetic ground state, we demonstrate that low-field hysteretic metamagnetic transitions produce states with net magnetization in zero-field and high coercivities for FeCl 2 (pym) and NiCl 2 (pym). By combining our bulk magnetic data with diffuse scattering analysis and broken-symmetry density-functional calculations, we probe the magnetic superexchange interactions, which when combined with symmetry analysis allow us to suggest design principles for future noncollinear vdW MOMs. These materials, if delaminated, would prove an interesting new family of 2D magnets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling Solids in Nuclear Astrophysics with Smoothed Particle Hydrodynamics

Abstract Smoothed particle hydrodynamics (SPH) is a frequently applied tool in computational astrophysics to solve the fluid dynamics equations governing the systems under study. For some problems, for example when involving asteroids and asteroid impacts, the additional inclusion of material strength is necessary in order to accurately describe the dynamics. In compact stars, that is white dwarfs and neutron stars, solid components are also present. Neutron stars have a solid crust, which is the strongest material known in nature. However, their dynamical evolution, when modeled via SPH or other computational fluid dynamics codes, is usually described as a purely fluid dynamics problem. Here, we present the first 3D simulations of neutron star crustal toroidal oscillations including material strength with the Los Alamos National Laboratory SPH code FleCSPH. In the first half of the paper, we present the numerical implementation of solid material modeling together with standard tests. The second half is on the simulation of crustal oscillations in the fundamental toroidal mode. Here, we dedicate a large fraction of the paper to approaches that can suppress numerical noise in the solid. If not minimized, the latter can dominate the crustal motion in the simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The Imaging X-Ray Polarimetry Explorer (IXPE)

The Imaging X-ray Polarimetry Explorer (IXPE) is an exciting international collaboration for a scientific mission that dramatically brings together the unique talents of the partners to expand observation space by simultaneously adding polarization measurements to the array of source properties currently measured (energy, time, and location). IXPE uniquely brings to the table polarimetric imaging. IXPE will thus open new dimensions for understanding how X-ray emission is produced in astrophysical objects, especially systems under extreme physical conditions-such as neutron stars and black holes. Polarization singularly probes physical anisotropies-ordered magnetic fields, aspheric matter distributions, or general relativistic coupling to black-hole spin-that are not otherwise measurable. Hence, IXPE complements all other investigations in high-energy astrophysics by adding important and relatively unexplored information to the parameter space for studying cosmic X-ray sources and processes, as well as for using extreme astrophysical environments as laboratories for fundamental physics.

X-ray astronomy x-ray polarimetry↗

The Thermodynamics of Crystallization and Phase-Separation in Melt-Derived Nuclear Waste Forms

This project aimed to gain detailed and fundamental understanding of the stability of glass waste forms to be used for safe and reliable encapsulation of nuclear waste. The focus was to understand thermodynamic and structural properties involved in crystallization and phase separation in melt-derived waste form glasses and glass-ceramics by studying a baseline glass composition with varying additives. This was achieved by combining neutron total scattering, advanced calorimetric measurements, and extensive modeling study. This project harnessed diverse and complementary approaches and expertise from four collaborating interdisciplinary institutions (two universities, one national laboratory, and one UK university partner). Samples were prepared at the national laboratory and exchanged with the two university institutions. The thermodynamic data obtained by various advanced calorimetry techniques were linked to the underlying short-range structure of waste forms measured by state-of-the-art neutron total scattering experiments. An important element of this project was extensive modeling to interpret and fundamentally understand the experimental results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Ferromagnetic moment in the magnetoelectric antiferromagnet Co 4 ⁢Ta 2 ⁢O 9 : Evidence of the 𝑃⁢1 magnetic space group

Exploring ferromagnetic moments in magnetoelectric materials is of both fundamental and technological importance. It enables the control of the correlated state using an uncompensated moment. However, its material realization is challenging owing to its exclusive microscopic mechanisms. Here, we report a nearly isotropic ferromagnetic moment in the magnetoelectric antiferromagnet Co 4 ⁢Ta 2 ⁢O 9 , by performing dc and ac magnetic susceptibility, magnetization, and neutron diffraction measurements on identical single crystals. Combined with the group theory analysis, we demonstrate a 𝑃⁢1 magnetic space group. This implies that physical activities can occur along any crystallographic direction, which explains the unusual magnetoelectric property of Co 4⁢ Ta 2⁢ O 9 . The ground state is classified as the M-type altermagnet based on the magnetic point group. Our study provides essential information to resolve the debate on the magnetic ground state and understand the magnetoelectric properties of the related compound with the prospect of observing and examining the 𝑃⁢1 magnetic space group or ferromagnet in ferroelectrics.

Antiferromagnets↗

What Machine Learning Can and Cannot Do for Inertial Confinement Fusion

Machine learning methodologies have played remarkable roles in solving complex systems with large data, well-defined input–output pairs, and clearly definable goals and metrics. The methodologies are effective in image analysis, classification, and systems without long chains of logic. Recently, machine-learning methodologies have been widely applied to inertial confinement fusion (ICF) capsules and the design optimization of OMEGA (Omega Laser Facility) capsule implosion and NIF (National Ignition Facility) ignition capsules, leading to significant progress. As machine learning is being increasingly applied, concerns arise regarding its capabilities and limitations in the context of ICF. ICF is a complicated physical system that relies on physics knowledge and human judgment to guide machine learning. Additionally, the experimental database for ICF ignition is not large enough to provide credible training data. Most researchers in the field of ICF use simulations, or a mix of simulations and experimental results, instead of real data to train machine learning models and related tools. They then use the trained learning model to predict future events. This methodology can be successful, subject to a careful choice of data and simulations. However, because of the extreme sensitivity of the neutron yield to the input implosion parameters, physics-guided machine learning for ICF is extremely important and necessary, especially when the database is small, the uncertain-domain knowledge is large, and the physical capabilities of the learning models are still being developed. In this work, we identify problems in ICF that are suitable for machine learning and circumstances where machine learning is less likely to be successful. This study investigates the applications of machine learning and highlights fundamental research challenges and directions associated with machine learning in ICF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Preface to the Special Issue on Signal Processing, Data Acquisition and Front-end Systems for Radiation Detection and Measurements

This special issue of the Journal of Signal Processing Systems focuses on advancement of signal processing and data-acquisition for radiation detection and measurements. The seven articles included cover diverse topics within the scope of radiation detection ranging from understanding of fundamental fission process, instrumentation, and application of radiation interaction (e.g., tomography and imaging). The articles focus on signal processing for fission spectrometer, neutron and gamma-ray computed tomography and artificial intelligence methods, dynamic neutron imaging system, pulse-pileup correction in x-ray spectroscopy and calibration methods in radiation measurement.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Dynamics and Transport in Strongly-Anisotropic Quantum Magnets (Final Report)

This DOE Award has evolved from a set of projects centered on the thermal transport phenomena in quantum magnets to the broader effort in the theory of dynamical properties of complex magnets, with the focus on their enigmatic ground states, disorder-induced phenomena, and novel spectroscopic and transport effects in them. Most recent emphasis of the research under the umbrella of this Award has been on the rare-earth- and transition-metal-based strongly-anisotropic magnets, the effort that has utilized a significant experience of our group in the studies of excitations, transport, and disorder in these new materials. The studies performed in our group have advanced basic understanding of fundamental physical properties of a diverse group of materials and yielded predictions of new phenomena in them. The research under this Award has targeted the problems that are at the forefront of the modern condensed matter physics and has also addressed the need for the theoretical understanding of experiments. Our work has influenced experiments conducted at the national and international facilities and provided an impact on the DOE basic energy science missions and areas of thrust in new electronic materials, energy transport, neutron- and X-ray scattering science, and in nanoscale science.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Griffin: A MOOSE-based reactor physics application for multiphysics simulation of advanced nuclear reactors

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor physics application for multiphysics simulations of advanced reactor designs jointly developed by Idaho National Laboratory and Argonne National Laboratory. This paper summarizes the motivation, significance, architecture, design, and features of Griffin. Griffin offers flexible and extensible features to address the challenges associated with advanced reactor designs. These features range from fundamental particle transport to specific reactor physics tasks. The features cover a wide range including on-the-fly and traditional two-step cross-section generation methods, steady-state and transient transport solvers suitable for both heterogeneous and homogeneous models, high-fidelity depletion where thousands of isotopes can be tracked and low-fidelity depletion characterized by burnup, etc. The most fundamental aspect that sets Griffin apart from other reactor analysis codes is that it is developed based on the MOOSE framework. A modular development approach is strongly enforced, with multiphysics being an essential element considered since the beginning of Griffin’s development. Griffin links various MOOSE physics modules and couples to other MOOSE-based applications and non-MOOSE-based applications for multiphyiscs simulations. Griffin includes three modules: ISOXML for preparing and managing multigroup cross sections, radiation transport for solving the neutron transport equation, and reactor analysis for user-oriented reactor physics analysis functionalities. Griffin uses various finite element methods for spatial discretization, multigroup approximation for energy discretization and discrete ordinates method, spherical harmonics expansion method, and diffusion approximation for streaming direction discretization to solve the neutron transport equation. Griffin’s flexibility is evidenced through Griffin’s various applications to fast reactor, high-temperature reactor, pebble bed reactor, molten salt reactor, and microreactor designs. Griffin development follows the software quality assurance procedure for MOOSE-based applications and with software requirements consistent with the ASME NQA-1 standard. Griffin has been adopted into the reactor analysis system for the U.S. NRC and is in use at U.S. companies, universities and national laboratories.

97 MATHEMATICS AND COMPUTING↗