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DOE OSTI2024

RODEM Jet Datasets

We present the RODEM Jet Datasets, a comprehensive collection of simulated large-radius jets designed to support the development and evaluation of machine-learning algorithms in particle physics. These datasets encompass a diverse range of jet sources, including quark/gluon jets, jets from the decay of W bosons, top quarks, and heavy new-physics particles. The datasets provide detailed substructure information, including jet kinematics, constituent kinematics, and track displacement details, enabling a wide range of applications in jet tagging, anomaly detection, and generative modelling.

FOS: Physical sciences↗

DOE OSTI2020

Crystal structure and physical properties of Yb 2 In and Eu 2–x Yb x In alloys

While binary R E 2 In , where R E = rare earth , have been reported a few decades ago, recent investigations revealed intriguing new physical insights. For instance, the discovery of a nearly ideal first-order ferromagnetic transition in Eu 2 In calls for further exploration of structures and properties of R E 2 In , in particular for the least-documented R E = Eu and Yb cases. In this work, we investigate Eu 2 – x Yb x In pseudobinaries with nominal values of x = 0.25 , 0.5, 0.75, 1, 1.5, 2 by powder x-ray diffraction (including as function of temperature from 100 to 375 K for Yb 2 In ), magnetization (5–300 K), as well as electrical resistivity (5–300 K) and calorimetric (2–150 K) measurements for Yb 2 In . Compared to other RE , Yb or Eu always raise challenging questions linked to their valence states. From average atomic volume, Yb is anticipated to be divalent in Yb 2 In , at least between 100 and 375 K, which is in line with the absence of 4 f magnetism. In agreement with x-ray diffraction and magnetization data, the resistivity of Yb 2 In is rather featureless and typical of a metal. Establishing Yb 2 In as a nonmagnetic isostructural reference for Eu 2 In allows one to use its heat capacity to revisit that of the latter, and get experimental insights into the exceptional magnetocaloric effect of the compound with Eu. In particular, we show that a third of the total magnetic entropy ( S m ≈ 35.6 J mo l – 1 K – 1 at T = 100 K ) is concentrated in a 3 K temperature window around the T C of Eu 2 In . Starting from the ferromagnetic compound Eu 2 In [ T C = 55.2 ( 5 ) K ] , we show that Yb substitutions in Eu 2 – x Yb x In lead to a decrease in both the Curie temperature [ T C = 41 ( 2 ) and 32(2) K for x = 0.25 and 0.5] and magnetic saturation, while weakening the first-order character of the transition as x increases. A significant isothermal entropy change of 5.1 ( 4 ) J mo l – 1 K – 1 for Δ B = 2 T is found at 44 K in Eu 1.75 Yb 0.25 In , demonstrating that the giant magnetocaloric effect of Eu 2 In can be tuned to lower temperatures by Yb substitutions.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Giant anisotropic in-plane thermal conduction induced by Anomalous phonons in pentagonal PdSe 2

In two-dimensional materials, different atomic stacking induces anisotropic atomic interactions and phonon dispersions, leading to the anisotropy of in-plane thermal transport. In this work, we report an exceptional case in layered pentagonal PdSe 2 , where the bonding, force constants, and lattice constants are nearly-equal along the in-plane crystallographic axis directions, while the thermal conductivity is surprisingly much greater along b-axis than along a-axis with a ratio up to 1.8. Such strong anisotropy is not only unexpected in in-plane uniform structured materials, but also 2 comparable to the record high in-plane anisotropic thermal conductivity in the nonuniform structured material reported to date (the ratio is ~2.0 in TiS 3 ). By combining the inelastic X-ray scattering measurement and the first-principles calculations, we attribute such high anisotropy to the low-energy phonons along a-axis, particularly their lower group velocities and “avoided-crossing” behavior. The different buckling structures between a- (zigzag-type) and b-axis (flat-type) are mainly responsible for such unique phonon dynamics properties of PdSe 2 . This finding helps to discover materials with high anisotropic in-plane thermal conductivity in uniform structures and reveals new physics of anisotropy of in-plane thermal conduction. Due to the unique features in structure and thermal transport properties, PdSe 2 may serve as a new platform for designing novel devices to route heat flow precisely at the nanoscale.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Unit-density SU(3) Fermi-Hubbard model with spin-flavor imbalance

The advent of ultracold alkaline-earth atoms in optical lattices has established a platform for investigating correlated quantum matter with SU⁡(𝑁) symmetry, offering highly tunable model parameters that allow experiments to access phenomena that are unavailable in conventional materials. Understanding the ground-state physics of SU⁡(𝑁) Fermi-Hubbard models away from the Heisenberg limit and from the spin-flavor balanced setting is important, as examining the flavor imbalance reveals new physics in Fermi-Hubbard models and shows how SU⁡(𝑁) phases react to practical experimental imperfections in optical lattices. Here, in this study, mean-field phase diagrams are presented for the unit-density SU(3) Fermi-Hubbard model at two sets of flavor densities, ($\frac{1}{3}$ − 𝛿, $\frac{1}{3}$ + 𝛿, $\frac{1}{3}$) and ($\frac{1}{4}$ − 𝛿, $\frac{1}{4}$ +𝛿, $\frac{1}{2}$), with the flavor imbalance introduced as 𝛿. Novel phases are identified at moderate interaction strengths for both densities, and their robustness is investigated in the presence of flavor imbalance. Furthermore, we provide microscopic explanations of the phases found and their stability. Analysis of thermal ensembles of random mean-field solutions indicate that, at temperatures accessible in state-of-the-art cold atom experiments, some spin orders are hard for conventional scattering or local observable measurements to detect, but can be more accessible with quantum gas microscopy in optical lattice experiments. This work also shows that nesting and Mottness, intertwined in the usual SU(2) Hubbard model in stark contrast to generic materials, can be tuned in the SU(3) model and play distinct roles. The resulting phase diagrams not only deepen our understanding of SU⁡(𝑁) Fermi-Hubbard models but also inform future experimental search for new phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Charm physics

Abstract We review recent developments in charm physics, focusing on the physics of charmed mesons. We discuss recent progress in charm spectroscopy and the multitude of mesonic and baryonic exotic states containing charm quarks. We review searches for new physics with charmed mesons with rare decays. We also touch upon recent theoretical and experimental progress in searches for CP-violation in charm decays and the status of $$D^0-\overline{D}{}^0$$ D 0 - D ¯ 0 mixing.

Physics↗

DOE OSTI2024

A Review of the Multiple-Readout Concept and Its Application in an Integrally Active Calorimeter

A comprehensive multi-jet physics program is anticipated for experiments at future colliders. Key physics processes necessitate detectors that can distinguish signals from W and Z bosons and the Higgs boson. Typical examples include channels with or pairs and processes involving new physics in those cases where neutral particles must be disentangled from charged ones due to the presence of W or Z bosons in their final states. Such a physics program demands calorimetric energy resolution at or beyond the limits of traditional calorimetric techniques. Multiple-readout calorimetry, which aims to reduce fluctuations in energy measurements of hadronic showers, is a promising approach. The first part of this article reviews dual- and triple-readout calorimetry within a mathematical framework describing the underlying compensating mechanism. The second part proposes a potential implementation using an integrally active and total absorption detector. This model serves as the basis for several Monte Carlo studies, illustrating how the response of a multiple-readout calorimeter depends on construction parameters. Among the layouts considered, one configuration operating in triple-readout mode shows the potential to achieve an energy resolution approaching .

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Forward Physics Facility - Snowmass 2021 Letter of Interest

A rich physics program remains unexplored in the far-forward region at the LHC. The Forward Physics Facility (FPF) is a proposal to enlarge an existing cavern in the far-forward region of ATLAS to house a suite of experiments with groundbreaking new capabilities for neutrinos, long-lived particle searches, milli-charged particle searches, QCD, dark matter, dark sectors, and cosmic rays. The FPF will be located 500 m from the ATLAS interaction point. It is shielded from the ATLAS interaction point by 100 m of concrete and rock, creating an extremely low-background environment, ideal for many standard model studies and new physics searches. In this Letter of Interest, we describe the FPF’s location and general features, its physics potential in the HL-LHC era, and topics for further study.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

"Experimental Research at the Energy Frontier in High Energy Physics" (Final Technical Report)

Recent developments in particle physics and cosmology raise the exciting prospect that we are on the threshold of a major step forward in our understanding of the universe. This proposal describes a research program at the University of Illinois in experimental high-energy physics on the ATLAS experiment at CERN’s Large Hadron Collider (LHC). Our group actively collaborates with the Theory Group and other experimental efforts within the Office of Science frontiers (energy, intensity, and cosmic) to search broadly in the ATLAS data to maximize our potential for scientifc discovery. The thrust of this proposal is to search for new physics using ATLAS data. Emphasis is placed on novel use of the Higgs boson as a tool to search for new particles and interactions and development of fast particle tracking systems for use in triggering. We propose to continue our strong role in FTK commissioning and operations. To maximize the impact and vitality of the proposed physics program through the HL-LHC running, we will lead firmware efforts in the HWTT Phase-II TDAQ upgrade, leveraging our expertise acquired through development of fast tracking hardware and firmware for the FTK system.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Scattering Amplitudes and QFT Insight (Final Scientific Report)

The calculation of scattering amplitudes provides an invariant window into the physical dynamic content of relativistic quantum field theory. Yet with traditional methods, for empirically relevant theories, these calculations scale with a factorial complexity in external particles and precision. If we aspire to collapse the theoretical uncertainty obscuring new physics hidden at all scales from the microscopic probed at high energy colliders to the largest effective field theory in the universe governing the evolution of large scale structure, this complexity challenge necessitates new ideas and methods in calculation. Novel approaches like the color-kinematics duality and the associated double-copy construction have drastically simplified the situation, relating both gauge and gravity theory predictions to a much smaller kernel of invariant kinematic data. This project supporting research by the PI's Amplitudes and Insights group at Northwestern University looked to push insight deep into both the IR and the UV by establishing how novel structures must constrain the predictions of counterterms in both gauge and gravity theories, setting the groundwork to exploring the high energy behavior of particular gravity theories via constituent gauge-theory calculations, and confronting fundamental challenges at the interface between QFT amplitudes analysis and next generation gravitational wave science as well as well as inflationary and large scale structure cosmology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Polarized Resonant X-ray Scattering to Measure Molecular Orientation and Conformation in Organic Nanostructures

The ordering of organic (carbon-based) molecules into nanostructures drives useful materials properties for applications such as organic light emitting diodes, flexible batteries, and polymer nanocarriers. However, there is a current lack of techniques to measure this ordering. X-ray scattering techniques involving molecular resonances have shown promise in identifying molecular types, locations, and orientation. However, resonant soft X-ray scattering (RSoXS) techniques have not been developed even lacking basic optical models. The objectives achieved by this research were the development of methods, models, and analysis techniques that harness these resonant phenomena in X-ray scattering measurements to quantitatively probe ordering of organic molecules within devices and nanostructures. This award resulted in 11 peer reviewed publications with two others soon to be submitted. New physical models for X-ray scattering that accurately describe these complex molecular resonances enable measurements of how molecules assemble, orient and conform at the nanometer scale. These new techniques were applied to both organic electronic devices and aqueous nanoparticles being developed for hydrocarbon sequestration. This new measurement capability will enable characterization of structure-property relationships that lead to disruptive technologies of printable, stretchable, and biocompatible devices based on organic materials.

14 SOLAR ENERGY↗

DOE OSTI2024

Present and future of $\mathcal{C}$osmo $\mathcal{L}$attice

We discuss the present state and planned updates of Cosmo Lattice, a cutting-edge code for lattice simulations of non-linear dynamics of scalar-gauge field theories in an expanding background. We first review the current capabilities of the code, including the simulation of interacting singlet scalars and of Abelian and non-Abelian scalar-gauge theories. We also comment on new features recently implemented, such as the simulation of gravitational waves from scalar and gauge fields. Secondly, we discuss new extensions of Cosmo Lattice that we plan to release publicly. We comment on new physics modules, which include axion-gauge interactions $\phi F\tilde{F}$, non-minimal gravitational couplings $\phi ^2R$, creation and evolution of cosmic-defect networks, and magnetohydrodynamics. Finally, we also discuss new technical features, including evolvers for non-canonical interactions, arbitrary initial conditions, simulations in 2+1 dimensions, and higher-accuracy spatial derivatives.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

X-ray imaging methods for high-energy density physics applications

Large scale high-energy density science facilities continue to grow in scale and complexity worldwide. The increase in driver capabilities, including pulsed-power and lasers, continue to push the boundaries of temperature, pressure, and densities, opening up new physics regimes. X-ray imaging is one of the many diagnostic techniques that are used to probe states of matter in these extreme conditions. Improved fabrication and polishing methods have provided improved x-ray microscope performance, while improving detector and x-ray sources now enable pico-second imaging with few micron resolutions. Here this Review will cover x-ray imaging methods, primarily absorption imaging, and their improvements over the last few decades.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

A lattice QCD perspective on weak decays of $b$ and $c$ quarks Snowmass 2022 White Paper

Lattice quantum chromodynamics has proven to be an indispensable method to determine nonperturbative strong contributions to weak decay processes. In this white paper for the Snowmass community planning process we highlight achievements and future avenues of research for lattice calculations of weak $b$ and $c$ quark decays, and point out how these calculations will help to address the anomalies currently in the spotlight of the particle physics community. With future increases in computational resources and algorithmic improvements, percent level (and below) lattice determinations will play a central role in constraining the standard model or identifying new physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Validation and parameterization of a novel physics-constrained neural dynamics model applied to turbulent fluid flow

We report, in fluid physics, data-driven models to enhance or accelerate time to solution are becoming increasingly popular for many application domains, such as alternatives to turbulence closures, system surrogates, or for new physics discovery. In the context of reduced order models of high-dimensional time-dependent fluid systems, machine learning methods grant the benefit of automated learning from data, but the burden of a model lies on its reduced-order representation of both the fluid state and physical dynamics. In this work, we build a physics-constrained, data-driven reduced order model for Navier–Stokes equations to approximate spatiotemporal fluid dynamics in the canonical case of isotropic turbulence in a triply periodic box. The model design choices mimic numerical and physical constraints by, for example, implicitly enforcing the incompressibility constraint and utilizing continuous neural ordinary differential equations for tracking the evolution of the governing differential equation. We demonstrate this technique on a three-dimensional, moderate Reynolds number turbulent fluid flow. In assessing the statistical quality and characteristics of the machine-learned model through rigorous diagnostic tests, we find that our model is capable of reconstructing the dynamics of the flow over large integral timescales, favoring accuracy at the larger length scales. More significantly, comprehensive diagnostics suggest that physically interpretable model parameters, corresponding to the representations of the fluid state and dynamics, have attributable and quantifiable impact on the quality of the model predictions and computational complexity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Scalable quantum simulations of scattering in scalar field theory on 120 qubits

Simulations of collisions of fundamental particles on a quantum computer are expected to have an exponential advantage over classical methods and promise to enhance searches for new physics. Furthermore, scattering in scalar field theory has been shown to be bounded-error quantum polynomial time (BQP) complete, making it a representative problem for which quantum computation is efficient. As a step toward large-scale quantum simulations of collision processes, scattering of wave packets in one-dimensional scalar field theory is simulated using 120 qubits of IBM’s Heron superconducting quantum computer ibm_fez. Variational circuits compressing vacuum preparation, wave packet initialization, and time evolution are determined using classical resources. By leveraging physical properties of states in the theory, such as symmetries and locality, the variational quantum algorithm constructs scalable circuits that can be used to simulate arbitrarily large system sizes. A new strategy is introduced to mitigate errors in quantum simulations, which enables the extraction of meaningful results from circuits with up to 4924 two-qubit gates and two-qubit gate depths of 103. The effect of interactions is clearly seen, and is found to be in agreement with classical matrix product state simulations. Finally, the developments that will be necessary to simulate high-energy inelastic collisions on a quantum computer are discussed.

quantum circuits↗

DOE OSTI2020

Achievements and Ongoing Challenges for advanced CFD Boiling Closure Model Development using Physical Insights from Validation-Oriented High-Fidelity Boiling Experiment

The fundamental understanding of the boiling-associated heat transfer, including sliding bubble effect, is still challenging despite the intensive research for decades in both experimental and computational boiling research communities. One of the main difficulties of boiling experiment come from the fact that direct observation of the underlying principle through experiment is very difficult due to the high complexity of the boiling phenomenon. Also, since the heat transfer characteristics associated with boiling is the result of non-linear interaction of various physical parameters coupled to each other, it is challenging to find the relationship between the parameters for modeling. This paper discusses the authors’ past and ongoing boiling research under CASL (Consortium for Advanced Simulation of Light Water Reactors) program, including the efforts to overcome the difficulties of boiling measurement and model development. In particular, we focus on describing the major achievements, lessons learnt, and ongoing challenges for the CFD boiling closure model development based on the high-fidelity subcooled flow boiling experiment at Texas A&M University (TAMU). The major research achievements discussed through this paper include (i) novel boiling measurement strategy and high-fidelity validation data production, (ii) dedicated effort to identify the critical measurement issues in boiling experiment, (iii) new physical insight into sliding bubble heat transfer mechanisms, and (iv) new boiling closure model development. Discussion is also made on the ongoing challenges for the boiling closure model development and the future research plan based on the lessons learnt.

42 ENGINEERING↗

DOE OSTI2021

Nuclear charge densities in spherical and deformed nuclei: Toward precise calculations of charge radii

Precise measurements of atomic transitions affected by electron-nucleus hyperfine interactions offer sensitivity to explore basic properties of the atomic nucleus and study fundamental symmetries, including the search for new physics beyond the standard model of particle physics. Specifically, such measurements, augmented by atomic and nuclear calculations, will enable extraction of the higher-order radial moments of the charge-density distribution in spherical and deformed nuclei. The new data impose higher precision requirements on a theoretical description. The nuclear charge density is composed of the proton point distribution folded with the nucleonic charge distributions. The latter induce subtle relativistic corrections due to the coupling of nucleon magnetic moments with the nuclear spin-orbit density. Additional corrections come from the effect of center-of-mass projection. We assess the precision of nuclear charge density calculations by studying the behavior of relativistic and center-of-mass motion corrections to the second and fourth charge radial moments. Special attention has been paid to the magnetic spin-orbit density associated with the local variations of the spin-orbit current. The calculations for semimagic and open-shell nuclei are performed in the framework of self-consistent mean-field theory using quantified energy density functionals and density-dependent pairing forces. We used the general expression for the spin-orbit form factor that is valid for spherical and deformed nuclei. We studied the impact of various correction terms on the charge radii, fourth radial moments, diffraction radii, and surface thickness of spherical and deformed nuclei. The spin-orbit corrections to charge radial moments and surface thickness show strong shell fluctuations which can make an appreciable effect when aiming at high-precision predictions of isotopic shifts. The inclusion of relativistic and center-of-mass corrections impacts the quality of energy density functionals optimized to charge radii data. To establish reliable constraints on the existence of new forces from isotope shift measurements, precise calculations of nuclear charge densities of deformed nuclei are needed. The proper inclusion of the spin-orbit charge density and other correction terms is essential when aiming at extraction of subtle effects which become particularly visible in isotopic trends. It is also important when developing high-quality nuclear energy density functionals optimized using heterogeneous datasets involving absolute charge radii, differential charge radii, and charge form factor properties deduced from electron-scattering data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Building a new multiphysics workflow in MOOSE: application to tritium migration, trapping and advection in TMAP8

Fusion devices are anticipated to produce and consume several kilograms of tritium per year. This rare fuel resource is both highly mobile and radioactive, making tracking inventories a priority for operation and safety. The fusion safety program at the Idaho National Laboratory has been developing the Tritium Migration and Analysis Program (TMAP), of which the latest version is a MOOSE-based application. TMAP8 is verified against its predecessors and possesses additional multi-dimensional tritium migration modeling capabilities. As we extend its capabilities towards both whole device (in multiple dimensions) and whole plant (with multiple components) simulations, the syntax of inputs must become compact, descriptive, compatible with quality assurance processes, and as error-proof as achievable. The new Physics system developed MOOSE can set up equations and instantiating them on plant components. The system permits the automatic definition of complex discretization with a consistency between object parameters achieved programmatically. The Physics system can currently instantiate the equations for heat conduction and Navier Stokes weakly compressible flow. In MOOSE-terms, it automates the definition of kernels, boundary conditions, and several core and helper materials and fields. As part of this effort, Physics classes were developed for tritium migration, trapping and advection within either a multi-dimensional Navier Stokes fluid dynamics simulation, or a 1D thermal hydraulics piping system. In this presentation, we will showcase the new syntax, its application to several verification and validation cases which were already studied using the classical TMAP8 syntax, and a demonstration of the new coupling capabilities for the migration of tritium into blanket coolant channels and the subsequent advection into the coolant loop.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗