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DOE OSTI2026

𝑁 = 8 Shell Breaking in 12 Be from a Single-Particle Perspective

Experimental observations of the low-lying states in 12 Be and their accurate modeling play an essential role in understanding the disappearance of the 𝑁 = 8 magic number. Long-standing experimental ambiguities have been clarified using an one-neutron adding (𝑑, 𝑝) reaction on 11 Be using the ISOLDE Solenoidal Spectrometer at CERN’s HIE-ISOLDE facility. The single-particle energies of 1⁢𝑠 1/2 , 0⁢𝑑 5/2 , and 0⁢𝑝 1/2 orbitals in 12 Be have been determined from the extracted spectroscopic factors. A significant reduction between the separation of 1⁢𝑠 1/2 and 0⁢𝑝 1/2 orbitals is found in comparison with the carbon isotones, highlighting the breakdown of the 𝑁 = 8 shell. These observations serve as an important test of different effects incorporated in theoretical models. It is found that two synergistic mechanisms, core deformation and weak binding, are responsible for the 𝑁 = 8 shell breaking and the exotic near-threshold phenomena observed in 12 Be, including the narrow unnatural-parity resonance $0^{-}_1$ and the possible halolike nature of the $0^+_2$ isomer.

Chen, Jie [Southern University of Science and Tech↗

DOE OSTI2024

Magnon interactions in the quantum paramagnetic phase of CoNb 2 O 6

In this work, we study effects of magnon interactions in the excitation spectrum of CoNb 2 O 6 in the quantum paramagnetic phase in transverse field, where the 1/S spin-wave theory exhibits unphysical divergences at the critical field. We propose a self-consistent Hartree-Fock approach that eliminates such unphysical singularities while preserving the integrity of the singular threshold phenomena of magnon decay and spectrum renormalization that are present in both theory and experiment. With the microscopic parameters adopted from previous studies, this method yields a close quantitative agreement with the available experimental data for CoNb 2 O 6 in the relevant regime. Furthermore, insights into the general structure of the spin-anisotropic model of CoNb 2 O 6 and related zigzag chain materials are also provided and a discussion of the effects of additional longitudinal field on the spectrum is given.

1-dimensional spin chains↗

DOE OSTI2024

Puzzles of Exotic Decay Processes

The growing interest in the physics of unstable nuclei, along with their manifestations in laboratory experiments and astrophysical observations, highlights the existence of features in decay processes within complex quantum systems that are not yet fully understood. Furthermore, this paper considers examples of such phenomena, including two-step decay processes, resonance effects, threshold peculiarities, and the interactions between bound and continuum states, as well as the related dynamics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

A superconfiguration calculation of opacity with consistent bound and continuum electron treatments using green’s functions

One of the challenges in calculating the opacity of dense plasmas is the difficulty in consistently modeling electrons bound to nuclei and those that exist within the continuum of free states in electronic structure models. We address this issue by adapting the green's function approach, originally developed for use in average atom calculations, to the determination of superconfiguration (SC) electronic structure. The spectra created using these SCs indicate that a consistent treatment of continuum electronic structure is important for phenomena involving electrons near ionization thresholds, such as the pressure ionization of bound states and the opacity due to transitions near bound-free edges. Though important for dense plasmas, the detailed incorporation of continuum electrons into structure calculations does not have significant impact on the recent discrepancies between the predicted and measured opacity of hot, dense iron (Bailey et al 2015 Nature517 56). Here we find that the inclusion of plasma effects through an ion-sphere model along with our treatment of continuum electronic states gives a description of pressure ionization in hot, dense aluminum that is in better agreement with experiment than methods that rely on perturbative descriptions of the plasma environment (Hoarty et al 2013 Phys. Rev. Lett.110 265003).

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

Cosmic Algorithms: Unveiling Mysteries of the Universe with Artificial Intelligence

In the boundless expanse of the cosmos lies a tapestry of mysteries waiting to be unraveled. In this talk, we delve into the realm of "Cosmic Algorithms," where the marriage of cutting-edge artificial intelligence (AI) and astrophysical inquiry paves the way for unprecedented discoveries. One of the foremost challenges we face in contemporary astrophysics is the staggering size and complexity of astronomical datasets. I will discuss how AI provides a transformative solution to these challenges, enabling us to efficiently sift through vast amounts of data to extract meaningful insights. Moreover, I will explore the fascinating realm of gravitationally lensed galaxies and merging galaxies, showcasing how AI algorithms play a pivotal role in identifying, characterizing, and understanding these phenomena. Today we stand at the threshold of unprecedented discovery, inspired by the boundless potential of Cosmic Algorithms to illuminate the darkest corners of space. The remarkable synergy between AI and astrophysics will continue to push the boundaries of human knowledge and open new roads to discovery.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

New opportunities at the next-generation neutrino experiments I: BSM neutrino physics and dark matter

The combination of the high intensity proton beam facilities and massive detectors for precision measurements of neutrino oscillation parameters including the charge-parity violating (CPV) phase will open the door to help make beyond the standard model (BSM) physics reachable even in low energy regimes in the accelerator-based experiments. Large-mass detectors with highly precise tracking and energy measurements, excellent timing resolution, and low energy thresholds will enable the searches for BSM phenomena from cosmogenic origin, as well. Therefore, it is also conceivable that BSM topics in the next-generation neutrino experiments could be the dominant physics topics in the foreseeable future, as the precision of the neutrino oscillation parameter and CPV measurements continue to improve. This paper reviews the current landscape of BSM theory in neutrino experiments in two selected areas of the BSM topics-dark matter and neutrino related BSM-and summarizes the current results from existing neutrino experiments to set benchmarks for both theory and experiment. This paper then provides a review of upcoming neutrino experiments throughout the next 10 to 15 year time scale and their capabilities to set the foundation for potential reach in BSM physics in the two aforementioned themes. An important outcome of this paper is to ensure theoretical and simulation tools exist to carry out studies of these new areas of physics, from the first day of the experiments, such as Deep Underground Neutrino Experiment in the U.S. and Hyper-Kamiokande Experiment in Japan.

dark sector↗

DOE OSTI2022

Evaluation of Mechanistic and Empirical Models against Existing FFRD and LOCA Experimental Databases

The desire of the nuclear industry to improve the economics of existing nuclear power plants has necessitated research into the potential of a phenomenon known as fuel fragmentation, relocation, and dispersal (FFRD). This phenomenon is possible during a loss-of-coolant accident (LOCA) at relatively high burnup. The Nuclear Energy Advanced Modeling and Simulation program has been developing simulation capabilities for FFRD and LOCA in the BISON fuel performance code for multiple years. This year, the effort has been focused on evaluating new lower length scale informed pulverization thresholds as well as updating and adding new empirical models for various phenomena. Models added or updated this year include a preliminary transient fission gas release model, new high-temperature Zircaloy creep models, a Zircaloy rupture opening area model, and a temperature-dependent emissivity during radiation from the fuel rod to the surrounding atmosphere. The models are verified through implementation tests to demonstrate code correctness after addition to BISON. The models are then assessed against a subset of the existing BISON validation suite for LOCA and FFRD cases. Two new cases, Studsvik Rods 192 and 193, have been added. The results indicate that the inclusion of a bubble pressure evolution model in the bubbles in the high-burnup structure has the largest impact compared to the 3D fracture criterion on reducing the calculated amount of pulverized fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Lowering the Energy Threshold of the CUORE Experiment: Benefits in the Surface Alpha Events Reconstruction

CUORE is a tonne-scale cryogenic experiment located at the Laboratori Nazionali del Gran Sasso that exploits bolometric technique to search for neutrinoless double beta decay of 130 Te. Thanks to its very low background and large mass, CUORE is also a powerful tool to study a broad class of phenomena, such as solar axions and WIMP scattering. The ability to conduct such sensitive searches crucially depends on the energy threshold, which has to be kept as low as possible. Here, we show how the trigger algorithm affects the sensitivity to low-energy phenomena and the interpretation of the energy spectrum. In particular, we focus on the impact that the trigger algorithm has on the identification of the coincidence events among different crystals and, consequently, on the reconstruction of the background.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Quantum Sensing for Energy Applications: Review and Perspective

On its revolutionary threshold, quantum sensing is creating potentially transformative opportunities to exploit intricate quantum mechanical phenomena in new ways to make ultrasensitive measurements of multiple parameters. Concurrently, growing interest in quantum sensing has created opportunities for its deployment to improve processes pertaining to energy production, distribution, and consumption. Safe and secure utilization of energy is dependent upon addressing challenges related to material stability and function, secure monitoring of infrastructure, and accuracy in detection and measurement. A summary of well-established and emerging quantum sensing materials and techniques, as well as the corresponding sensing platforms that have been developed for their deployment is provided here. Specifically, the enhancement of existing advanced sensing technologies with quantum methods and materials is focused on, enabling the realization of an unprecedented level of sensitivity, placing an emphasis on relevance to the energy industry. The review concludes with a discussion on high-value applications of quantum sensing to the energy sector, as well as remaining barriers to sensor deployment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Control of electron recollision and molecular nonsequential double ionization

Abstract Intense laser pulses lasting a few optical cycles, are able to ionize molecules via different mechanisms. One such mechanism involves a process whereby within one optical period an electron tunnels away from the molecule, and is then accelerated and driven back as the laser field reverses its direction, colliding with the parent molecule and causing correlated non-sequential double ionization (NSDI). Here we report control over NSDI via spectral-phase pulse shaping of femtosecond laser pulses. The measurements are carried out on ethane molecules using shaped pulses. We find that the shaped pulses can enhance or suppress the yield of dications resulting from electron recollision by factors of 3 to 6. This type of shaped pulses is likely to impact all phenomena stemming from electron recollision processes induced by strong laser fields such as above threshold ionization, high harmonic generation, attosecond pulse generation, and laser-induced electron diffraction.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2020

Renormalization scale setting for heavy quark pair production in $e^+e^–$ annihilation near the threshold region

Heavy fermion pair production in e + e – annihilation is a fundamental process in hadron physics and is of considerable interest for various phenomena. In this paper, we will apply the principle of maximum conformality (PMC) to provide a comprehensive analysis of these processes. The PMC provides a systematic, unambiguous method for determining the renormalization scales of the QCD coupling constant for single-scale and multiple-scale applications. The resulting predictions eliminate any renormalization scheme-and-scale ambiguities, eliminate the factorial renormalon divergences, and are consistent with the requirements of the renormalization group. It is remarkable that two distinctly different scales are determined by using the PMC for heavy fermion pair production near the threshold region. One scale is the order of the fermion mass m f , which enters the hard virtual corrections, and the other scale is of order v m f , where v is the quark velocity, which enters the Coulomb rescattering amplitude. The PMC scales yield the correct physical behavior and reflect the virtuality of the propagating gluons (photons) for the QCD (QED) processes. Moreover, we demonstrate the consistency of PMC scale setting from QCD to QED. Perfect agreement between the Abelian unambiguous Gell-Mann-Low and the PMC scale-setting methods in the limit of zero number of colors is demonstrated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Tailoring the Thickness‐Dependent Optical Properties of Conducting Nitrides and Oxides for Epsilon‐Near‐Zero‐Enhanced Photonic Applications

Abstract The unique properties of the emerging photonic materials, conducting nitrides and oxides, especially their tailorability, large damage thresholds, and, importantly, the so‐called epsilon‐near‐zero (ENZ) behavior, have enabled novel photonic phenomena spanning optical circuitry, tunable metasurfaces, and nonlinear optical devices. This work explores direct control of the optical properties of polycrystalline titanium nitride (TiN) and aluminum‐doped zinc oxide (AZO) by tailoring the film thickness, and their potential for ENZ‐enhanced photonic applications. This study demonstrates that TiN–AZO bilayers support Ferrell–Berreman modes using the thickness‐dependent ENZ resonances in the AZO films operating in the telecom wavelengths spanning from 1470 to 1750 nm. The bilayer stacks also act as strong light absorbers in the ultraviolet regime using the radiative ENZ modes and the Fabry–Perot modes in the constituent TiN films. The studied Berreman resonators exhibit optically induced reflectance modulation of 15% with picosecond response time. Together with the optical response tailorability of conducting oxides and nitrides, using the field enhancement near the tunable ENZ regime can enable a wide range of nonlinear optical phenomena, including all‐optical switching, time refraction, and high‐harmonic generation.

Saha, Soham↗

DOE OSTI2025

Implications of point defect accumulation on UO 2 thermal conductivity and fission gas release under accelerated fuel irradiation

Evaluation of thermal properties is a crucial factor for nuclear fuel performance. During reactor operation, the accumulation of fission products and irradiation-induced lattice defects are responsible for degradation in thermal conductivity. Consequently, it affects fuel temperature and fission gas release (FGR) among other Multiphysics processes important for economics and safety analysis. We analyze the implications of point defects (PD) accumulation described using a rate theory (RT) Model on lattice thermal conductivity of UO 2 . Here, we demonstrate that fission rate-dependent point defect concentrations have the largest impact on in-pile thermal conductivity in the periphery of light water reactor fuels below a temperature threshold governed by the migration barrier of defects. Our analysis provides a mechanistic description of this phenomena which current fuel performance codes treat empirically. The reduction of thermal conductivity in the low -temperature rim region acts as additional thermal resistance and leads to a temperature notably larger than suggested by Lucuta thermal conductivity correlation. These effects are anticipated to have notable impacts when fuels are exposed to accelerated radiation. The impact of such point defect-informed treatment of thermal conductivity on fuel performance is evaluated by a detailed analysis of fission gas behavior and its release. We consider several models capturing different stages of fission gas bubble evolution and fission gas release (FGR). Finally, a new fission rate-dependent correction to the Lucuta correlation is proposed. The results show a significant reduction in thermal conductivity at the fuels’ periphery and an increase in fuel centerline temperature specifically at low burnups. Ultimately a modified LC shows a higher FGR compared to the original LC, while the acceleration process results in a reduction in overall FGR.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Physics Guided Simulation of Electrostatic Discharge: Technical Report

Triboelectrically-charged objects may create threshold sparks, electrostatic discharge (ESD) events, to equilibrate charge between themselves and other relatively charged objects. ESD events exhibit many complex physical phenomena. They are a nexus of several fields of physics with disparate characteristic scales: plasma physics, chemical kinetics, hydrodynamics, circuit models, etc. These scales can span many orders of magnitude from the varied collisions thermalizing information within a plasma on the $\mathcal{O}(fs/ps)$ to the physical size of the plasma channel on the $\mathcal{O}(100µm)$, to the speed of a nonlinear hydrodynamic wave propagating at $\mathcal{O}(µm, ns)$. These threshold ESD events may occur in situations of programmatic importance, delivering energy and power profiles to a “victim load” generating deleterious consequences. To predict and mitigate these consequences we must answer questions about the spark’s energy budget: how much energy goes into producing the spark channel; how much gets radiated away; how much energy is advected away into the hydrodynamics; and how much energy is delivered to a victim load. An ESD simulation toolset has been created and evolved in order to answer these questions. An appropriate, physics guided implementation for simulation can be done by gaining insight into its constituent physics and leveraging that intuition to choose a suitable numerical operator. We examine in detail the chemical kinetics, circuit discharge, and hydrodynamics to deter mine dominant regimes, values, timescales, and interactions to uncover the underlying physical dynamics. We also examine and propose model reduction schemes for high-dimensional chemical kinetics. We use past and current work with experimentally validated and theoretically-verified hydrodynamics to calculate applicability limits of the non-ionizing strong shock limit. We quantify the energy budget from a hydrodynamic perspective and demonstrate that a significant fraction of the stored energy is “earmarked” for hydrodynamic advection as an energy terminus. Lastly, we combine the constituent physics of an ESD event (chemical kinetics, circuit model, and hydrodynamics) into a cohesive, actionable toolset and obtain promising results from an isothermal test case. We then propose a viable, modular evolution of the ESD toolset based upon the performed examination of the physics uncovering dominant physical scales and the stiffness of the compositional differential system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

A variational phase-field framework for thermal softening and dynamic ductile fracture

A variational phase field model for dynamic ductile fracture is presented. Here, the model is designed for elasto-viscoplastic materials subjected to rapid deformations in which the effects of heat generation and material softening are dominant. The variational framework allows for the consistent inclusion of plastic dissipation in the heat equation as well as thermal softening. It employs a coalescence function to degrade fracture energy during regimes of high plastic flow. A variationally consistent form of the Johnson–Cook model is developed for use with the framework. Results from various benchmark problems in dynamic ductile fracture are presented to demonstrate capabilities. In particular, the ability of the model to regularize shear band formation and subsequent damage evolution in two- and three-dimensional problems is demonstrated. Importantly, these phenomena are naturally captured through the underlying physics without the need for phenomenological criteria such as stability thresholds for the onset of shear band formation.

42 ENGINEERING↗

DOE OSTI2020

Understanding Microstructure Variability in Vapor-Deposited Energetic Materials by Using Phase-Field Methods

Critical components, such as detonators, in Sandia's stockpile contain heterogeneous materials whose performance and reliability depend on accurate, predictive models of coupled, complex phenomena to predict their synthesis, processing, and operation. Ongoing research in energetic materials has shown that microstructural properties, such as density, pore-size, morphology, and specific surface area are correlated to their initiation threshold and detonation behavior. However, experiments to study these specific characteristics of energetic materials are challenging and time consuming. Therefore, in this work, we turn to mesoscale modeling methods that may be capable of reproducing some observed phenomena to refine and predict outcomes beforehand. Even so, we have no physics-based modeling capability to predict how the microstructure of an energetic material will evolve over near- and long-term time scales. Thus, the goal of this work is to (i) identify any knowledge gaps in how the underlying microstructure forms and evolves during the synthesis process, and (ii) develop and test a mesoscale phase-field model for vapor deposition to capture critical mechanisms of microstructure formation, evolution, and variability in vapor-deposited energetic materials, such as processing conditions, material properties, and substrate interactions. Based on this work, the phase-field method is shown to be a valuable tool for developing the necessary models containing coupled, complex phenomena to investigate and understand the synthesis and processing of energetic materials.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Roadmap for the future of extreme wildfire events

Background Extreme wildfire events (EWEs) represent a growing threat globally, posing substantial risks to ecosystems, human communities, and infrastructure. Despite increased recognition of their ecological, social, and economic significance, current definitions of EWEs vary widely, reflecting disciplinary biases and regional contexts. This article emerges from an interdisciplinary workshop convened to reassess and refine the definition of EWEs, examine their impacts across ecological and social dimensions, and identify critical knowledge gaps impeding our understanding of these infrequent but important events. Results Our synthesis highlights significant limitations with existing definitions, particularly their reliance on subjective thresholds and their emphasis on extreme fire behavior alone. EWEs encompass a spectrum of complex, multi-dimensional phenomena that extend beyond immediate biophysical characteristics to include cumulative social, economic, and ecological impacts. These impacts often manifest over extended timeframes and include hazardous environmental contamination, severe geomorphic disturbances, ecosystem transformations, and unintended consequences of post-fire management actions. Current wildfire modeling frameworks inadequately capture these compounding factors, particularly the interactions among social systems, ecological conditions, and extreme fire behavior. To overcome these issues, we advocate for an interdisciplinary and context-sensitive approach to defining and studying EWEs. This revised definition emphasizes wildfires exhibiting anomalies in fire behavior, ecological outcomes, or social impacts relative to historically observed baselines, accommodating variability across different geographic regions and ecological settings. Conclusions Adopting an interdisciplinary framework that integrates biophysical and social sciences will enhance the predictive capability of wildfire models and improve resilience planning and response strategies. Filling identified knowledge gaps—such as limited high-quality empirical fire behavior data and insufficient integration of social dynamics into modeling—will better prepare communities and ecosystems to cope with and adapt to EWEs. This inclusive approach underscores the necessity for collaboration across disciplines and sectors, essential to managing extreme wildfires in an era of increasing climatic and ecological uncertainty.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Vacuum Insulator Flashover Physics LDRD Report

Large, pulsed power and high voltage systems often employ a stack of insulators to separate a vacuum section away from water or oil sections. The size of this insulator stack often drives overall costs and feasibility of these systems. An electric breakdown along the insulator surface is a primary failure mechanism and is especially impactful if it occurs while power is still being delivered downstream. This report describes a set of experimental and modeling investigations into the cause of these breakdowns, especially focusing on the much less well-understood anode-initiated breakdowns that occur during early parts of power delivery. Additionally, new diagnostics for assessing relevant material properties and behavior of insulators are described. These results describe breakdown behavior and evolution at new temporal and spatial fidelities and provide hypotheses and some answers as to how these breakdowns can occur. This new understanding of the roles of different physics phenomena guide modifications and trade-offs in generating newer insulator stack designs that are smaller and/or have higher electrical stress thresholds.

42 ENGINEERING↗