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DOE OSTI2023

SYMBA: symbolic computation of squared amplitudes in high energy physics with machine learning

The cross section is one of the most important physical quantities in high-energy physics and the most time consuming to compute. While machine learning has proven to be highly successful in numerical calculations in high-energy physics, analytical calculations using machine learning are still in their infancy. In this work, we use a sequence-to-sequence model, specifically, a transformer, to compute a key element of the cross section calculation, namely, the squared amplitude of an interaction. We show that a transformer model is able to predict correctly 97.6% and 99% of squared amplitudes of quantum chromodynamics and quantum electrodynamics processes, respectively, at a speed that is up to orders of magnitude faster than current symbolic computation frameworks. We discuss the performance of the current model, its limitations and possible future directions for this work.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

XFEL imaging techniques for high energy density and inertial fusion energy research at HED-HiBEF

The imaging platform developed at the High Energy Density-Helmholtz International Beamline for Extreme Fields (HED-HiBEF) instrument at the European X-ray Free Electron Laser (XFEL) and its applications to HED and fusion related research are presented. The platform combines the XFEL beam with the high-intensity short-pulse laser ReLaX and the high-energy nanosecond-pulse laser DiPOLE-100X. The spatial resolution is better than 500 nm and the temporal resolution of the order of 50 fs. The influence of the XFEL source in the x-ray imaging method is discussed. Free-propagation x-ray phase contrast imaging and Talbot-Lau imaging setups are shown. We show examples of blast waves and converging cylindrical shocks in aluminum, resonant absorption measurements of specific charged states in copper with ReLaX and planar shocks in polystyrene material generated by DiPOLE-100X. For the first time, we show the application of Talbot-Lau interferometry to convergent cylindrical shocks as well as resonant absorption processes. We also discuss the possibilities introduced by combining this imaging platform with a kJ-class laser.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Unraveling the structure of molten salts: a review of high-energy x-ray diffraction (HEXRD) studies

High energy x-ray diffraction (HEXRD) has emerged as a pivotal technique for examining the structural properties of molten salts, which play vital roles in various high-temperature applications, such as energy storage, nuclear reactors, and metallurgy. This review provides a comprehensive analysis of recent progress in HEXRD studies of various molten salt systems, including molten halide salts, their mixtures, and salts with molecular anions, focusing on the insights into their atomic-scale arrangements. Additionally, we discuss methodological advancements that have improved the resolution and accuracy of HEXRD measurements, as well as recent developments in computational simulations, such as machine learning interatomic potentials, for interpreting results. This review aims to serve as a valuable resource for researchers in this field, offering a detailed overview of the progress of HEXRD studies of molten salts and suggesting pathways for further exploration.

Blockmon, Avery L. [Argonne National Laboratory (A↗

DOE OSTI2024

The Orbitron: A crossed-field device for co-confinement of high energy ions and electrons

To explore the confinement of high-energy ions above the space charge limit, we have developed a hybrid magnetic and electrostatic confinement device called an Orbitron. The Orbitron is a crossed-field device combining aspects of magnetic mirrors, magnetrons, and orbital ion traps. Ions are confined in orbits around a high-voltage cathode with co-rotating electrons confined by a relatively weak magnetic field. Experimental and computational investigations focus on reaching ion densities above the space charge limit through the co-confinement of electrons. The experimental apparatus and suite of diagnostics are being developed to measure the critical parameters, such as plasma density, particle energy, and fusion rate for high-energy, non-thermal plasma conditions in the Orbitron. Initial results from experimental and computational efforts have revealed the need for cathode voltages on the order of 100–300 kV, leading to the development of a custom high voltage, ultra-high vacuum bushing rated for 300 kV.

Materials Science↗

DOE OSTI2021

A tidal disruption event coincident with a high-energy neutrino

Cosmic neutrinos provide a unique window into the otherwise hidden mechanism of particle acceleration in astrophysical objects. The IceCube Collaboration recently reported the likely association of one high-energy neutrino with a flare from the relativistic jet of an active galaxy pointed towards the Earth. However a combined analysis of many similar active galaxies revealed no excess from the broader population, leaving the vast majority of the cosmic neutrino flux unexplained. Here we present the likely association of a radio-emitting tidal disruption event, AT2019dsg, with a second high-energy neutrino. AT2019dsg was identified as part of our systematic search for optical counterparts to high-energy neutrinos with the Zwicky Transient Facility. The probability of finding any coincident radio-emitting tidal disruption event by chance is 0.5%, while the probability of finding one as bright in bolometric energy flux as AT2019dsg is 0.2%. Our electromagnetic observations can be explained through a multizone model, with radio analysis revealing a central engine, embedded in a UV photosphere, that powers an extended synchrotron-emitting outflow. This provides an ideal site for petaelectronvolt neutrino production. Assuming that the association is genuine, our observations suggest that tidal disruption events with mildly relativistic outflows contribute to the cosmic neutrino flux.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

High-Energy Solid-State Lithium Batteries with Organic Cathode Materials (Final Report)

Organic materials made from abundant elements via low-energy processes are emerging as sustainable and low-cost alternatives to transition metal oxides as the electrode materials for high- energy batteries in the wake of supply chain and environmental issues associated with critical materials during the transition to clean energy. Organic insertion materials (OIMs) offer material- level energy comparable to transition metal oxides, but they have durability difficulties owing to dissolving in common liquid electrolytes. Combining ceramic-based solid electrolytes with organic electrode materials is one intriguing solution. The goal of this project is to design and synthesize high-energy OIMs, to understand the chemical dynamics and mechanical properties at the OIM-sulfide interface during electrochemical cycling, and to develop methods for constructing the optimum cathode microstructure, which will lead to improved electrochemical performance. The project team has accomplished the following over the last four years: (a) demonstrating that the mechanical softness of organic electrode materials is uniquely beneficial in suppressing crack formation at the electrode-electrolyte interface during cell operation; (b) understanding the interaction between cathode microstructure and the mechanical properties of individual components; and (c) establishing predictive control of cathode microstructure by tuning the mechanical properties of solid electrolytes and OIMs; (d) determining the chemical combability of sulfide electrolyte with high-energy OIMs and finally (f) laying out a road map toward a specific energy of 500 Wh kg -1 for solid-state lithium batteries. 14 publications resulted from this project.

25 ENERGY STORAGE↗

DOE OSTI2023

High-energy neutrino emission from magnetized jets of rapidly rotating protomagnetars

ABSTRACT Relativistic jets originating from protomagnetar central engines can lead to long duration gamma-ray bursts (GRBs) and are considered potential sources of ultra-high-energy cosmic rays and secondary neutrinos. We explore the propagation of such jets through a broad range of progenitors, from stars which have shed their envelopes to supergiants which have not. We use a semi-analytical spin-down model for the strongly magnetized and rapidly rotating protoneutron star (PNS) to investigate the role of central engine properties such as the surface dipole field strength, initial rotation period, and jet opening angle on the interactions and dynamical evolution of the jet-cocoon system. With this model, we determine the properties of the relativistic jet, the mildly relativistic cocoon, and the collimation shock in terms of system parameters such as the time-dependent jet luminosity, injection angle, and density profile of the stellar medium. We also analyse the criteria for a successful jet breakout, the maximum energy that can be deposited into the cocoon by the relativistic jet, and structural stability of the magnetized outflow relative to local instabilities. Lastly, we compute the high-energy neutrino emission as these magnetized outflows burrow through their progenitors. Precursor neutrinos from successful GRB jets are unlikely to be detected by IceCube, which is consistent with the results of previous works. On the other hand, we find that high-energy neutrinos may be produced for extended progenitors like blue and red supergiants, and we estimate the detectability of neutrinos with next generation detectors such as IceCube-Gen2.

Astronomy & Astrophysics↗

DOE OSTI2023

Quantum Simulation for High-Energy Physics

It is for the first time that quantum simulation for high-energy physics (HEP) is studied in the U.S. decadal particle-physics community planning, and in fact until recently, this was not considered a mainstream topic in the community. This fact speaks of a remarkable rate of growth of this subfield over the past few years, stimulated by the impressive advancements in quantum information sciences (QIS) and associated technologies over the past decade, and the significant investment in this area by the government and private sectors in the U.S. and other countries. High-energy physicists have quickly identified problems of importance to our understanding of nature at the most fundamental level, from tiniest distances to cosmological extents, that are intractable with classical computers but may benefit from quantum advantage. They have initiated, and continue to carry out, a vigorous program in theory, algorithm, and hardware co-design for simulations of relevance to the HEP mission. This Roadmap is an attempt to bring this exciting and yet challenging area of research to the spotlight, and to elaborate on what the promises, requirements, challenges, and potential solutions are over the next decade and beyond.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

The High-energy Spectrum of the Nearby Planet-hosting Inactive Mid-M Dwarf LHS 3844

To fully characterize the atmospheres, or lack thereof, of terrestrial exoplanets, we must include the high-energy environments provided by their host stars. The nearby mid-M dwarf LHS 3844 hosts a terrestrial world that lacks a substantial atmosphere. We present a time-series UV spectrum of LHS 3844 from 1131 to 3215 Å captured by HST/COS. We detect one flare in the FUV that has an absolute energy of 8.96 ± 0.77 × 10{sup 28} erg and an equivalent duration of 355 ± 31 s. We extract the flare and quiescent UV spectra separately. For each spectrum, we estimate the Lyα flux using correlations between UV line strengths. We use Swift-XRT to place an upper limit on the soft X-ray flux and construct a differential emission model to estimate flux that is obscured by the interstellar medium. We compare the differential emission model flux estimates in the XUV to other methods that rely on scaling from the Lyα, Si iv, and N v lines in the UV. The XUV, FUV, and NUV flux of LHS 3844 relative to its bolometric luminosity is log{sub 10}(L {sub band}/L {sub Bol}) =−3.65, −4.16, and −4.48, respectively, for the quiescent state. These values agree with trends in high-energy flux as a function of stellar effective temperature found by the MUSCLES survey for a sample of early-M dwarfs. Many of the most spectroscopically accessible terrestrial exoplanets orbit inactive mid-to-late M dwarfs like LHS 3844. Measurements of M dwarf high-energy spectra are preferable for exoplanet characterization but are not always possible. The spectrum of LHS 3844 is a useful proxy for the current radiation environment for these worlds.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

The 2022 High-energy Outburst and Radio Disappearing Act of the Magnetar 1E 1547.0–5408

We report the radio and high-energy properties of a new outburst from the radio-loud magnetar 1E 1547.0–5408. Following the detection of a short burst from the source with Swift-BAT on 2022 April 7, observations by NICER detected an increased flux peaking at (6.0 ± 0.4) × 10 –11 erg s –1 cm –2 in the soft X-ray band, falling to a baseline level of 1.7 × 10 –11 erg s –1 cm –2 over a 17 day period. Joint spectroscopic measurements by NICER and NuSTAR indicated no change in the hard nonthermal tail despite the prominent increase in soft X-rays. Observations at radio wavelengths with Murriyang, the 64 m Parkes radio telescope, revealed that the persistent radio emission from the magnetar disappeared at least 22 days prior to the initial Swift-BAT detection and was redetected two weeks later. Such behavior is unprecedented in a radio-loud magnetar, and may point to an unnoticed slow rise in the high-energy activity prior to the detected short bursts. Finally, our combined radio and X-ray timing revealed the outburst coincided with a spin-up glitch, where the spin frequency and spin-down rate increased by 0.2 ± 0.1 μHz and (–2.4 ± 0.1) × 10 –12 s –2 , respectively. A linear increase in the spin-down rate of (–2.0 ± 0.1) × 10 –19 s –3 was also observed over 147 days of postoutburst timing. Our results suggest that the outburst may have been associated with a reconfiguration of the quasi-polar field lines, likely signaling a changing twist, accompanied by spatially broader heating of the surface and a brief quenching of the radio signal, yet without any measurable impact on the hard X-ray properties.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Probing triaxial deformation of atomic nuclei in high-energy heavy ion collisions

Most atomic nuclei are deformed with a quadrupole shape described by its overall strength β 2 and triaxiality γ. The deformation can be accessed in high-energy heavy ion collisions by measuring the collective flow response of the produced quark-gluon plasma to the eccentricity ε 2 and the density gradient d ⊥ in the initial state. Using an analytical estimate and a Glauber model, I show that the variances $\langleε^{2}_{2}\rangle$ or $\langle$(δd ⊥ /d ⊥ ) 2 $\rangle$ and skewnesses $\langleε^{2}_{2}δd_{⊥}/d_{⊥}\rangle$ or $\langle(δd_{⊥}/d_{⊥})^{3}\rangle$ have a simple analytical form of a'+b'β$^{2}_{2}$ and a'+[b'+c' cos(3γ)]β$^{3}_{2}$, respectively. From these, I constructed several normalized skewnesses to isolate the γ dependence from that of β 2 and show that the correlations between a normalized skewness and a variance can constrain simultaneously β 2 and γ. Assuming a linear relation with elliptic flow v 2 and mean-transverse momentum [p T ] of final-state particles, v 2 ∝ ε 2 and δ [p T ] / [p T ] ∝ δd ⊥ /d ⊥ , similar conclusions are also expected for the variances and skewnesses of v 2 and [p T ], i.e., a + bβ$^{2}_{2}$ for $\langle v^{2}_{2}\rangle$ and $\langle(δ[p_{T}] / [p_{T}])^{2}\rangle$ and a + [b + c cos (3γ)] β$^{3}_{2}$ for $\langle v^{2}_{2}δ [p_{T}] / [p_{T}]\rangle$ or $\langle(δ[p_{T}] / [p_{T}])^{3}\rangle$. My findings motivate a dedicated system scan of high-energy heavy ion collisions at RHIC and LHC to measure triaxiality of atomic nuclei: one first determines the coefficients b and c by collisions of isobaric near prolate nuclei, cos (3γ) ≈ 1, and near oblate nuclei, cos (3γ) ≈ –1 , with known β 2 values, followed by collisions of other species of interest with similar mass number. The (β 2 , γ) values for this species can be inferred directly from the measured variance and skewness observables from these collisions. Finally, the results demonstrate the unique opportunities offered by high-energy collisions as a tool to perform interdisciplinary nuclear physics studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Predicting High Energy Arcing Fault Zones of Influence for Aluminum Using an Arc Flash Modeling Approach: Evaluation of a model bias, uncertainty, parameter sensitivity and zone of influence estimation

This report documents the development of an arc flash hazard model to calculate the incident energy and zone of influence from high energy arcing faults involving aluminum. The NRC has identified the potential for (HEAFs) involving aluminum to increase the damage zone beyond what is currently postulated in fire probabilistic risk assessment (PRA) methodologies. To estimate the hazard from HEAFs involving aluminum an arc flash model was developed. Differences between the initial model and nuclear power plant (NPP) fire PRA scenarios were identified. Modification of the initial model established from existing literature and test data was used to minimize these differences. The developed model was evaluated against NRC datasets to understand the model prediction and relative uncertainties. Finally, a range of fire PRA zone of influences (ZOI) were developed based on the developed model, target fragility estimates and update HEAF PRA methodology. The results were developed to support an NRC LIC-504 evaluation in tandem with other modeling efforts. The report documents the effort and provides a reference for any future advancements in arc flash modeling.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Development of the high energy engineering X-ray (HEX) superconducting wiggler, magnetic measurement, installation, and commissioning

The High energy Engineering X-ray (HEX) diffraction beamline at the National Synchrotron Light Source II (NSLS-II) at Brookhaven National Lab (BNL) is the first high-energy beamline capable of reaching 200 keV for a monochromatic beam. With the 3 GeV electron beam energy for the NSLS-II ring, only the superconducting wiggler (SCW) producing greater than 4 T peak field can cover these ranges with a sufficient number of photons. The 1.2 m-long HEX-SCW has a period length of 70 mm and a field strength on-axis of 4.3 T. It utilizes no liquid helium, and the vertical aperture size of the electron beam vacuum chamber is 8 mm. Unlike regular undulators/wigglers, there is no standard configuration for the magnetic measurement system for superconducting insertion devices. The NSLS-II Insertion Devices group has developed, in collaboration with the vacuum group, a novel in-vacuum Hall mapper with a 1.75 m in-vacuum linear motor and an in-vacuum flip coil system utilizing many commercial-off-the-shelf products. The measurements were conducted at the BNL, and the device was installed in the ring and commissioned. Here, this paper provides a description of the SCW and its magnetic measurement systems, as well as a brief account of the installation and commissioning efforts.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Transport Properties of Magnetized High-Energy Density Plasma (Final Project Report)

This report summarizes results of project DE-SC0016159 "Transport Properties of Magnetized High-Energy-Density Plasma,'' which ran from 7/15/2016 - 7/14/2021. The primary objectives of the work, as stated in the original proposal, were to develop a theory that describes transport coefficients in magnetized high energy density plasmas and to test the theory with molecular dynamics (MD) simulations. The science challenge is that strong ion coupling, strong magnetization of electrons, and partial degeneracy of electrons, cause the system to be in a regime that is not well described by current theory. The particular processes that were to be investigated include: ion stopping power, diffusion, electron-ion temperature relaxation, thermal conduction and viscosity. All of the primary research objectives were accomplished during the course of this work. In addition, some unexpected results were discovered along the way that led to new and productive research directions. This work resulted in 17 publications in well-respected peer-reviewed journals (primarily Physics of Plasmas and Physical Review E), and 2 more are being prepared for publication. A few of these were selected as Editor's Picks and one was published as a Rapid Communication. Highlights of the research results include: Transport phase space: The first identification of the parameter space that defines fundamental transport regimes in terms of the Coulomb coupling and magnetization parameters. Mean force kinetic theory: Systematic derivation of a kinetic theory for strongly coupled plasmas based on a new expansion parameter of the BBGKY hierarchy. This provided the derivation of a theory that we had previously posed phenomenologically, and also revealed a new term that captures the equation of state properties at all coupling strengths. Transverse friction force: Discovery that the friction force on a test charge in a strongly magnetized plasma includes a component that is perpendicular to the motion of the test charge in the plane defined by the velocity and magnetic field vectors. Gyrofriction force: Discovery that the friction force on a test charge in a plasma that is both strongly magnetized and strongly coupled includes a component of the force in the direction of the Lorentz force. Kinetic theory for warm dense matter: Extension of the mean force kinetic theory to include partial electron degeneracy, so that it applies to warm dense matter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

A practical phosphorus-based anode material for high-energy lithium-ion batteries

State-of-the-art lithium-ion batteries cannot satisfy the increasing energy demand worldwide because of the low specific capacity of the graphite anode. Silicon and phosphorus both show much higher specific capacity; however, their practical use is significantly hindered by their large volume changes during charge/discharge. Although significant efforts have been made to improve their cycle life, the initial coulombic efficiencies of the reported Si-based and P-based anodes are still unsatisfactory (<90%). In this study, by using a scalable high-energy ball milling approach, we report a practical hierarchical micro/nanostructured P-based anode material for high-energy lithium-ion batteries, which possesses a high initial coulombic efficiency of 91% and high specific capacity of ~2500 mAh g –1 together with long cycle life and fast charging capability. In situ high-energy X-ray diffraction and in situ single-particle charging/discharging were used to understand its superior lithium storage performance. Moreover, proof-of-concept full-cell lithium-ion batteries using such an anode and a LiNi 0.6 Co 0.2 Mn 0.2 O 2 cathode were assembled to show their practical use. The findings presented here can serve as a good guideline for the future design of high-performance anode materials for lithium-ion batteries.

25 ENERGY STORAGE↗

DOE OSTI2024

Are there correlations in the HAWC and IceCube high energy skymaps outside the Galactic plane?

We use publicly available data to perform a search for correlations of high energy neutrino candidate events detected by IceCube and high-energy photons seen by the HAWC Collaboration. Our search is focused on unveiling such correlations outside of the Galactic plane. This search is sensitive to correlations in the neutrino candidate and photon skymaps which would arise from a population of unidentified point sources. We find no evidence for such a correlation, but suggest strategies for improvements with new datasets. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

DOE OSTI2022

Tuning working potential of silicon-phosphorus anode via microstructure control for high-energy lithium-ion batteries

The primary research on anode materials of lithium-ion batteries have been focused on increasing the specific capacity, while the working potential that is also closely related to the practical energy density of batteries has been paid much less attention. In this paper, starting from micrometer-sized silicon and black phosphorus, we have reported a high-energy silicon-phosphorus/carbon anode (denoted as mSPC) via a high-energy ball milling process, which demonstrates an average discharge working potential of 0.3 volts versus lithium, together with a high reversible capacity of > 2000 mAh/g, high initial coulombic efficiency of 84%, excellent cycle stability, and superior rate capability up to 15 A/g. Furthermore, in situ focused-ion-beam scanning electron microscopy reveals that the volume change of the mSPC anode during repeated (de) lithiation is effectively alleviated. In contrast, starting from nanometer-sized silicon, the resulted anode (denoted as nSPC) not only presents a lower reversible capacity (~1200 mAh/g), but also exhibits a higher charge/discharge working potential, leading to reduced energy density. Our results indicate the importance of composition/structure control in tailoring the working potential and specific capacity of alloying-type anodes towards high-energy lithium-ion batteries.

25 ENERGY STORAGE↗

DOE OSTI2024

Co-free gradient lithium-rich cathode for high-energy batteries with optimized cyclability

Lithium-rich layered oxides (LLOs) hold the promise for high-energy battery cathodes. However, its application has been hindered by voltage decay associated with irreversible reactions at high voltages despite decades of intensive efforts. Here, we first theoretically studied the molecular orbitals of Mn-based Li-rich configurations. We found that the π-bond ring formed within the LiMn 6 structure could participate in stable redox reactions as one unit, but Co could disrupt its symmetry. We thus designed and synthesized Co-free concentration-gradient LLOs (CF-CG-LLOs) materials. The combination of concentration gradient and Co removal leads to exceptional capacity retention without any fading over 100 cycles of the pouch cell. More importantly, it exhibits an extraordinarily low voltage decay of 0.15 mV/cycle, accompanied by a high Coulombic efficiency of 99.86%. This concept and demonstration of CF-CG-LLO cathodes reveal a viable avenue toward low-cost, high-energy-density battery cathodes.

25 ENERGY STORAGE↗