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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 OSTI2020

Urca nuclide production in Type-I X-ray bursts and implications for nuclear physics studies

ABSTRACT The thermal structure of accreting neutron stars is affected by the presence of urca nuclei in the neutron star crust. Nuclear isobars harbouring urca nuclides can be produced in the ashes of Type I X-ray bursts, but the details of their production have not yet been explored. Using the code MESA, we investigate urca nuclide production in a one-dimensional model of Type I X-ray bursts using astrophysical conditions thought to resemble the source GS 1826-24. We find that high-mass (A ≥ 55) urca nuclei are primarily produced late in the X-ray burst, during hydrogen-burning freeze-out that corresponds to the tail of the burst light curve. The ∼0.4–0.6 GK temperature relevant for the nucleosynthesis of these urca nuclides is much lower than the ∼1 GK temperature most relevant for X-ray burst light curve impacts by nuclear reaction rates involving high-mass nuclides. The latter temperature is often assumed for nuclear physics studies. Therefore, our findings alter the excitation energy range of interest in compound nuclei for nuclear physics studies of urca nuclide production. We demonstrate that for some cases this will need to be considered in planning for nuclear physics experiments. Additionally, we show that the lower temperature range for urca nuclide production explains why variations of some nuclear reaction rates in model calculations impacts the burst light curve but not local features of the burst ashes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Transversity PDFs of the proton from lattice QCD with physical quark masses

We present a lattice QCD calculation of the transversity isovector- and isoscalar-quark parton distribution functions (PDFs) of the proton utilizing a perturbative matching at next-to-leading-order (NLO) accuracy. Additionally, we determine the isovector and isoscalar tensor charges for the proton. In both calculations, the disconnected contributions to the isoscalar matrix elements have been ignored. The calculations are performed using a single ensemble of N f = 2 + 1 highly improved staggered quarks simulated with physical-mass quarks and a lattice spacing of a = 0.076 fm . The Wilson-clover action, with physical quark masses and smeared gauge links obtained from one iteration of hypercubic smearing, is used in the valence sector. Using the NLO operator product expansion, we extract the lowest four to six Mellin moments and the PDFs via a neural network from the matrix elements in the pseudo-PDF approach. In addition, we calculate the PDFs in the quasi-PDF approach with hybrid-scheme renormalization and the recently developed leading-renormalon resummation technique, at NLO with the resummation of leading small- x logarithms. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2011

Physical decomposition of the gauge and gravitational fields

Physical decomposition of the non-Abelian gauge field has recently helped to achieve a meaningful gluon spin. Here we extend this approach to gravity and attempt a meaningful gravitational energy. The metric is unambiguously separated into a pure geometric term which contributes a null curvature tensor, and a physical term which represents the true gravitational effect and always vanishes in a flat space-time. By this decomposition the conventional pseudotensors of the gravitational stress-energy are easily rescued to produce a definite physical result. Our decomposition applies to any symmetric tensor, and has an interesting relation to the transverse-traceless decomposition discussed by Arnowitt, Deser and Misner, and by York.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Searches for new physics at the Hyper-Kamiokande experiment

We investigate the ability of the upcoming Hyper-Kamiokande (Hyper-K) neutrino experiment to detect new physics phenomena beyond the standard, three-massive-neutrinos paradigm; namely, the existence of a fourth, sterile neutrino or weaker-than-weak, nonstandard neutrino interactions. With both beam-based neutrinos from the Japan Proton Accelerator Research Complex (J-PARC) and atmospheric neutrinos, Hyper-K is capable of exploring new ranges of parameter space in these new-physics scenarios. We find that Hyper-K has comparable capability to the upcoming Deep Underground Neutrino Experiment (DUNE), and that combining both beam- and atmospheric-based data can clear up degeneracies in the parameter spaces of interest. We also comment on the potential improvement in searches for new physics if a combined analysis were performed using Hyper-K and DUNE data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Constraining physical models at gigabar pressures

High-energy-density (HED) experiments in convergent geometry are able to test physical models at pressures beyond hundreds of millions of atmospheres. The measurements from these experiments are generally highly integrated and require unique analysis techniques to procure quantitative infor mation. This work describes a methodology to constrain the physics in convergent HED experiments by adapting the methods common to many other fields of physics. As an example, a mechanical model of an imploding shell is constrained by data from a thin-shelled direct-drive exploding-pusher experiment on the OMEGA Laser System using Bayesian inference, resulting in the reconstruction of the shell dynamics and energy transfer during the implosion. The model is tested by analyzing synthetic data from a 1-D hydrodynamics code and is sampled using a Markov chain Monte Carlo to generate the posterior distributions of the model parameters. As a result, the goal of this work is to demonstrate a general methodology that can be used to draw conclusions from a wide variety of HED experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Physics-informed transformation toward improving the machine-learned NLTE models of ICF simulations

The integration of machine-learning techniques into inertial confinement fusion (ICF) simulations has emerged as a powerful approach for enhancing computational efficiency. By replacing the costly nonlocal thermodynamic equilibrium (NLTE) model with machine-learning models, significant reductions in calculation time have been achieved. However, determining how to optimize machine-learning-based NLTE models in order to match ICF simulation dynamics remains challenging, underscoring the need for physically relevant error metrics and strategies to enhance model accuracy with respect to these metrics. Thus, we propose novel physics-informed transformations designed to emphasize energy transport, use these transformations to establish new error metrics, and demonstrate that they yield smaller errors within reduced principal-component spaces compared to conventional transformations. Published by the American Physical Society 2025

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2011

Understanding of Defect Physics in Polycrystalline Photovoltaic Materials: Preprint

The performance of thin-film solar cells is influenced by the quality of interfaces and formation of defects such as point defects, stacking faults, twins, dislocations, and grain boundaries. It is important to understand the defect physics so that appropriate methods may be developed to suppress the formation of harmful defects. Here, we review our understanding of defect physics in thin-filmphotovoltaic (PV) materials such as Si, CdTe, Cu(In,Ga)Se2 (CIGS), Cu2ZnSnSe2 (CZTSe), and Cu2ZnSnS2 (CZTS) using the combination of nanoscale electron microscopy characterization and density-functional theory (DFT). Although these thin-film PV materials share the same basic structural feature - diamond structure based - the defect physics in them could be very different. Some defects, such asstacking faults and special twins, have similar electronic properties in these thin-film materials. However, some other defects, such as grain boundaries and interfaces, have very different electronic properties in these materials. For example, grain boundaries produce harmful deep levels in Si and CdTe, but they do not produce significant deep levels in CIGS, CZTSe, and CZTS. These explain whypassivation is critical for Si and CdTe solar cells, but is less important in CIS and CZTS solar cells. We further provide understanding of the effects of interfaces on the performance of solar cells made of these PV materials.

14 SOLAR ENERGY↗

DOE OSTI2017

Higgs physics at the CLIC electron–positron linear collider

The Compact Linear Collider (CLIC) is an option for a future ${\mathrm{e}^{+}}{\mathrm{e}^{-}} $ collider operating at centre-of-mass energies up to $3\,\text {TeV} $ , providing sensitivity to a wide range of new physics phenomena and precision physics measurements at the energy frontier. This paper is the first comprehensive presentation of the Higgs physics reach of CLIC operating at three energy stages: $\sqrt{s} = 350\,\text {GeV} $ , 1.4 and $3\,\text {TeV} $ . The initial stage of operation allows the study of Higgs boson production in Higgsstrahlung ( ${\mathrm{e}^{+}}{\mathrm{e}^{-}} \rightarrow {\mathrm{Z}} {\mathrm{H}} $ ) and ${\mathrm{W}} {\mathrm{W}} $ -fusion ( ${\mathrm{e}^{+}}{\mathrm{e}^{-}} \rightarrow {\mathrm{H}} {{\nu }}_{\!\mathrm{e}} {\bar{{\nu }}}_{\!\mathrm{e}} $ ), resulting in precise measurements of the production cross sections, the Higgs total decay width $\varGamma _{{\mathrm{H}}}$ , and model-independent determinations of the Higgs couplings. Operation at $\sqrt{s} > 1\,\text {TeV} $ provides high-statistics samples of Higgs bosons produced through ${\mathrm{W}} {\mathrm{W}} $ -fusion, enabling tight constraints on the Higgs boson couplings. Studies of the rarer processes ${\mathrm{e}^{+}}{\mathrm{e}^{-}} \rightarrow \mathrm{t} {\bar{\mathrm{t}}} {\mathrm{H}} $ and ${\mathrm{e}^{+}}{\mathrm{e}^{-}} \rightarrow {\mathrm{H}} {\mathrm{H}} {{\nu }}_{\!\mathrm{e}} {\bar{{\nu }}}_{\!\mathrm{e}} $ allow measurements of the top Yukawa coupling and the Higgs boson self-coupling. This paper presents detailed studies of the precision achievable with Higgs measurements at CLIC and describes the interpretation of these measurements in a global fit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Extracting and Interpreting Electrochemical Impedance Spectra (EIS) from Physics-Based Models of Lithium-Ion Batteries

This paper implements a highly efficient algorithm to extract electrochemical impedance spectra (EIS) from physics-based battery models (e.g., a P2D model). The mathematical approach is different from how EIS is practiced experimentally. Experimentally, the voltage (current) is harmonically perturbed over a wide range of frequencies and the amplitude and phase shift of the corresponding current (voltage) is measured. The experimental approach can be implemented in simulation software, but is computationally expensive. The approach here is to determine locally linear state-space models from the full physical model. The four Jacobian matrices that are the basis of the state-space models can be derived by numerical differentiation of the physical model. The EIS is then extracted from the state-space model using computationally efficient matrix-manipulation techniques. The algorithm can evaluate the full EIS at an instant in time during a transient, independent of whether the battery is in a stationary state. The approach is also able to separate the full-cell impedance to evaluate partial EIS, such as for a battery anode alone. Although such partial EIS is difficult to measure experimentally, the partial EIS provides valuable insights in interpreting the full-cell EIS.

25 ENERGY STORAGE↗

DOE OSTI2025

Dataset for First Full Dalitz Plot Measurement in Neutron β-Decay using the Nab Spectrometer and Implications for New Physics

The Nab apparatus at the Fundamental Neutron Physics Beamline at the Spallation Neutron Source was designed to measure key observations in neutron beta decay, test the Standard Model's description of the weak interaction, and search for new physics. This data was collected using the Nab apparatus and are presented in the article "First Full Dalitz Plot Measurement in Neutron β-Decay using the Nab Spectrometer and Implications for New Physics." This data publication includes CSV (comma-separated values) files which are used to generate Figures 3 - 11 in the linked journal article.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2011

Reactor Physics Methods and Analysis Capabilities in SCALE

The TRITON sequence of the SCALE code system provides a powerful, robust, and rigorous approach for performing reactor physics analysis. This paper presents a detailed description of TRITON in terms of its key components used in reactor calculations. The ability to accurately predict the nuclide composition of depleted reactor fuel is important in a wide variety of applications. These applications include, but are not limited to, the design, licensing, and operation of commercial/research reactors and spent-fuel transport/storage systems. New complex design projects such as next-generation power reactors and space reactors require new high-fidelity physics methods, such as those available in SCALE/TRITON, that accurately represent the physics associated with both evolutionary and revolutionary reactor concepts as they depart from traditional and well-understood light water reactor designs.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Publishing statistical models: Getting the most out of particle physics experiments

The statistical models used to derive the results of experimental analyses are of incredible scientific value and are essential information for analysis preservation and reuse. In this paper, we make the scientific case for systematically publishing the full statistical models and discuss the technical developments that make this practical. By means of a variety of physics cases - including parton distribution functions, Higgs boson measurements, effective field theory interpretations, direct searches for new physics, heavy flavor physics, direct dark matter detection, world averages, and beyond the Standard Model global fits - we illustrate how detailed information on the statistical modelling can enhance the short- and long-term impact of experimental results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2011

Enhancing the CDF's B physics program with a faster data acquisition system.

The physics program of Run II at the Tevatron includes precision electroweak measurements such as the determination of the top quark and W boson masses; bottom and charm physics including the determination of the B{sub s} and D{sup 0} mixing parameters; studies of the strong interaction; and searches for the Higgs particle, supersymmetric particles, hidden space-time dimensions and quark substructure. All of these measurements benefit from a high-resolution tracking detector. Most of them rely heavily on the efficient identification of heavy flavored B hadrons by detection of displaced secondary vertices, and are enhanced by the capability to trigger on tracks not coming from the primary vertex. This is uniquely provided by CDF's finely-segmented silicon detectors surrounding the interaction region. Thus CDF experiment's physics potential critically depends on the performance of its silicon detectors. The CDF silicon detectors were designed to operate up to 2-3 fb{sup -1} of accumulated pji collisions, with an upgrade planned thereafter. However, the upgrade project was canceled in 2003 and Run II has been extended through 2011, with an expected total delivered integrated luminosity of 12 fb{sup -1} or more. Several preventive measures were taken to keep the original detector operational and maintain its performance. The most important of these are the decrease in the operating temperature of the detector, which reduces the impact of radiation exposure, and measures to minimize damage due to integrated radiation dose, thermal cycles, and wire bond resonance conditions. Despite these measures the detectors operating conditions continue to change with issues arising from radiation damage to the sensors, aging infrastructure and electronics. These, together with the basic challenges posed by the inaccessibility of the detector volume and large number (about 750 thousand) of readout channels, make the silicon detector operations the single most complex and high priority job in the CDF experiment.

43 PARTICLE ACCELERATORS↗

DOE OSTI2018

νSTORM - Neutrinos from STORed Muons: Letter of Intent to the Fermilab Physics Advisory Committee

The idea of using a muon storage ring to produce a high-energy (≃ 50 GeV) neutrino beam for experiments was first discussed by Koshkarev in 1974. A detailed description of a muon storage ring for neutrino oscillation experiments was first produced by Neuffer in 1980. In his paper, Neuffer studied muon decay rings with E μ of 8, 4.5 and 1.5 GeV. With his 4.5 GeV ring design, he achieved a figure of merit of ≃ 6 x 10 9 useful neutrinos per 3 x 10 13 protons on target. The facility we describe here (νSTORM) is essentially the same facility proposed in 1980 and would utilize a 3-4 GeV/c muon storage ring to study eV-scale oscillation physics and, in addition, could add significantly to our understanding of ν e and ν μ cross sections. In particular the facility can: (1) address the large Δm 2 oscillation regime and make a major contribution to the study of sterile neutrinos, (2) make precision ν e and $\bar{ν}$ e cross-section measurements, (3) provide a technology (μ decay ring) test demonstration and μ beam diagnostics test bed, and (4) provide a precisely understood ν beam for detector studies. The facility is the simplest implementation of the Neutrino Factory concept. In our case, 60 GeV/c protons are used to produce pions off a conventional solid target. The pions are collected with a focusing device (horn or lithium lens) and are then transported to, and injected into, a storage ring. The pions that decay in the first straight of the ring can yield a muon that is captured in the ring. The circulating muons then subsequently decay into electrons and neutrinos. We are starting with a storage ring design that is optimized for 3.8 GeV/c muon momentum. This momentum was selected to maximize the physics reach for both oscillation and the cross section physics. See Fig. 1 for a schematic of the facility.

43 PARTICLE ACCELERATORS↗

DOE OSTI2012

Proceedings of RIKEN BNL Research Center Workshop: Forward Physics at RHIC

The RIKEN BNL Research Center (RBRC) was established in April 1997 at Brookhaven National Laboratory. It is funded by the "Rikagaku Kenkyusho" (RIKEN, The Institute of Physical and Chemical Research) of Japan. The Memorandum of Understanding between RIKEN and BNL, initiated in 1997, has been renewed in 2002 and again in 2007. The Center is dedicated to the study of strong interactions, including spin physics, lattice QCD, and RHIC physics through the nurturing of a new generation of young physicists.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2012

Advanced Mesh-Enabled Monte Carlo Capability for Multi-Physics Reactor Analysis

This project will accumulate high-precision fluxes throughout reactor geometry on a non-orthogonal grid of cells to support multi-physics coupling, in order to more accurately calculate parameters such as reactivity coefficients and to generate multi-group cross sections. This work will be based upon recent developments to incorporate advanced geometry and mesh capability in a modular Monte Carlo toolkit with computational science technology that is in use in related reactor simulation software development. Coupling this capability with production-scale Monte Carlo radiation transport codes can provide advanced and extensible test-beds for these developments. Continuous energy Monte Carlo methods are generally considered to be the most accurate computational tool for simulating radiation transport in complex geometries, particularly neutron transport in reactors. Nevertheless, there are several limitations for their use in reactor analysis. Most significantly, there is a trade-off between the fidelity of results in phase space, statistical accuracy, and the amount of computer time required for simulation. Consequently, to achieve an acceptable level of statistical convergence in high-fidelity results required for modern coupled multi-physics analysis, the required computer time makes Monte Carlo methods prohibitive for design iterations and detailed whole-core analysis. More subtly, the statistical uncertainty is typically not uniform throughout the domain, and the simulation quality is limited by the regions with the largest statistical uncertainty. In addition, the formulation of neutron scattering laws in continuous energy Monte Carlo methods makes it difficult to calculate adjoint neutron fluxes required to properly determine important reactivity parameters. Finally, most Monte Carlo codes available for reactor analysis have relied on orthogonal hexahedral grids for tallies that do not conform to the geometric boundaries and are thus generally not well-suited to coupling with the unstructured meshes that are used in other physics simulations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2013

University of Arizona High Energy Physics Program

The High Energy Physics Group at the University of Arizona has conducted forefront research in elementary particle physics. Our theorists have developed new ideas in lattice QCD, SUSY phenomenology, string theory phenomenology, extra spatial dimensions, dark matter, and neutrino astrophysics. The experimentalists produced significant physics results on the ATLAS experiment at CERN's Large Hadron Collider and on the D0 experiment at the Fermilab Tevatron. In addition, the experimentalists were leaders in detector development and construction, and on service roles in these experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗