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DOE OSTI2024

Gluon moment and parton distribution function of the pion from 𝑁 𝑓 = 2 +1 +1 lattice QCD

We present the first calculation of the pion gluon moment from lattice QCD in the continuum-physical limit. The calculation is done using clover fermions for the valence action with three pion masses, 220, 310 and 690 MeV, and three lattice spacings, 0.09, 0.12, and 0.15 fm, using ensembles generated by MILC Collaboration with 2+1+1 flavors of highly improved staggered quarks (HISQ). On the lattice, we nonperturbatively renormalize the gluon operator in RI/MOM scheme using the cluster-decomposition error reduction (CDER) technique to enhance the signal-to-noise ratio of the renormalization constant. We extrapolate the pion gluon moment to the continuum-physical limit and obtain ⟨𝑥⟩ 𝑔 = 0.394⁢(58) stat+NPR ⁢(39) mixing in the $\overline{MS}$ scheme at 2 GeV, with first error being the statistical error and uncertainties in nonperturbative renormalization, and the second being a systematic uncertainty estimating the effect of ignoring quark mixing. Our pion gluon momentum fraction has a central value lower than two recent single-ensemble lattice-QCD results near physical pion mass but is consistent with the recent global fits by JAM and xFitter and with most QCD-model estimates.

Astronomy & Astrophysics↗

DOE OSTI2024

Technical Report on the Belle II Summer Workshop and Explorer Workshop 2023

The 2023 Belle II Summer workshop took place July 24-28, 2023 at Duke University in Durham. The meeting webpage can be found at https://indico.belle2.org/event/8841/. The meeting had 58 registered participants with the overwhelming majority attending in person. The event at giving beginning graduate students and postdocs an overview over the Belle II physics program and detector as well as an in-depth exploration of the Belle II software. For the latter, several hands-on sessions were organized to introduce participants to the Belle II software as well as more specialized topics in statistics and Machine Learning. The workshop also featured an ML/AI competition. In addition to the DOE support, the workshop was also supported by the Duke Physics department. We were able to host almost all students that so wished in the Duke Dorms and provide a meal plan. The support enabled us to waive the registration fee for all participants and cover also part of the dorm costs. Furthermore, we covered travel costs for external speakers on ML/AI topics. Figures 1 and 2 show the group picture and a scene from the hands-on sessions, respectively.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2021

Cylinders and jets in crossflow: Wake formations as a result of varying geometric proximities

The combined flow physics of several canonical flow configurations is experimentally studied. Here, we analyze an array of jets issuing into a crossflow, then immediately navigating past an array of cylinders. This is achieved with a 2 × 3 triangular pattern of jets and symmetric cylinders at three jets to crossflow velocity ratios, enabling near-complete optical access of each jet, with velocities measured by time-resolved particle image velocimetry. Jet trajectories reveal that each configuration adheres to a power-law trend and that greater penetration is achieved by the downstream and confined jets compared to the more conventional upstream one. Recirculation regions of the upstream and downstream jets are nearly independent, with the confined jet encompassing regions of overlap with both. Turbulent statistics reveal the influence of geometric placement and velocity ratio on the time-averaged velocity, anisotropy, and Reynolds stresses incurred by each jet. Galilean decomposition utilizes a supplemental crossflow-only velocity field to delineate the influence of each jet's low- and high-pressure regions on the otherwise uniform stream. Proper orthogonal decomposition suggests that increased jet penetration decreases the number of modes required for truncation in the investigated spanwise plane. Vortex identification algorithms are applied to the reconstructed flow fields, reaffirming that with increasing velocity ratio, the jets generate vortices of their own in similar statistical formations as the cylinders. This investigation provides a foundation to aid future modeling efforts toward characterizing flow physics of importance in designing and passively controlling transverse jets with varying blockage proximities in a crossflow.

Kristo, Paul J. (ORCID:0000000225605175)↗

DOE OSTI2016

On a simple molecular–statistical model of a liquid-crystal suspension of anisometric particles

A molecular–statistical mean-field theory is constructed for suspensions of anisometric particles in nematic liquid crystals (NLCs). The spherical approximation, well known in the physics of ferromagnetic materials, is considered that allows one to obtain an analytic expression for the free energy and simple equations for the orientational state of a suspension that describe the temperature dependence of the order parameters of the suspension components. The transition temperature from ordered to isotropic state and the jumps in the order parameters at the phase-transition point are studied as a function of the anchoring energy of dispersed particles to the matrix, the concentration of the impurity phase, and the size of particles. The proposed approach allows one to generalize the model to the case of biaxial ordering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Progress in Accurate Chemical Kinetic Modeling, Simulations, and Parameter Estimation for Heterogeneous Catalysis

Chemical kinetic modeling in heterogeneous catalysis is gaining ground in its ability to provide qualitatively or even quantitatively accurate prediction of real-world behavior because of new advances in the physical and chemical representations of catalytic systems, estimation of relevant kinetic parameters, and capabilities in kinetic modeling. This Perspective chronicles current trends and future areas of advancement in chemical kinetic modeling, simulation, and parameter estimation: ranging from elementary step calculations to multiscale modeling to the role of advanced statistical methods for incorporating uncertainties in predictions. Multiple new or growing methodologies are covered, examples are provided, and forward-looking topics for advancement are noted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

The REDTOP experiment: Rare $\eta/\eta^{\prime}$ Decays To Probe New Physics

The $\eta$ and $\eta^{\prime}$ mesons are nearly unique in the particle universe since they are almost Goldstone bosons and the dynamics of their decays are strongly constrained. The integrated $\eta$-meson samples collected in earlier experiments amount to $\sim10^{9}$ events. A new experiment, REDTOP (Rare Eta Decays To Probe New Physics), is being proposed, with the intent of collecting a data sample of order 10$^{14}$ $\eta$ (10$^{12}$ $\eta^{\prime}$) for studying very rare decays. Such statistics are sufficient for investigating several symmetry violations, and for searching for particles and fields beyond the Standard Model. In this work we present several studies evaluating REDTOP sensitivity to processes that couple the Standard Model to New Physics through all four of the so-called \emph{portals}: the Vector, the Scalar, the Axion and the Heavy Lepton portal. The sensitivity of the experiment is also adequate for probing several conservation laws, in particular $CP$, $T$ and Lepton Universality, and for the determination of the $\eta$ form factors, which is crucial for the interpretation of the recent measurement of muon $g-2$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Searches for New Physics With Muon Conversion at Fermilab and Triboson Production at the LHC

We report on several efforts to search for physics beyond the standard model of particle physics at broad energy scales. The Mu2e experiment at Fermilab will search for charged lepton flavor violation via the muon to electron conversion process, which is suppressed in the Standard Model. Mu2e will be operated at a low energy, yet can probe New Physics at very high mass scales (O(1e3 - 1e4 ) TeV). At high energies, the CMS experiment at the CERN LHC continues to deliver an impressive suite of Standard Model measurements and limits on a variety of New Physics signatures. Mu2e is under construction and slated to collect its first physics data in the coming years. This thesis describes work done during the construction phase of Mu2e and focuses on two critical areas: magnetic field modeling and statistical analysis. We describe a novel method for field modeling which we validate using a simulated dataset representing the expected magnetic field in the Detector Solenoid. This method blends a standard least-squares fitting technique that utilizes physically motivated analytical model functions with a novel physics informed network that is constructed to obey Maxwell’s equations. We show the technique can model the field with an accuracy of 10−7 despite the presence of injected noise in the pseudo-measurements at the 10−5 level. We then present preliminary results of the calibration of 3D Hall probes at the sub-10−4 level. These probes will be used to directly measure the Mu2e Detector Solenoid magnetic field on a sparse grid; these measurements serve as the input to the field model fitting. Finally, we describe the first implementation of both an unbinned shape analysis and a Bayesian interpretation applied to Mu2e pseudo-data. Up to 20% tighter limits can be set by the shape analysis compared to a standard cut & count analysis. The AlCap experiment collected data at PSI in 2015 to measure several important quantities related to nuclear muon capture on an aluminum target, which is a significant background process for Mu2e. The neutron emission from muon capture can introduce background hits in the Mu2e detectors and can increase radiation damage in various elements of the apparatus. We present measurements of the neutron group fluence and mean neutron multiplicity for muon capture on aluminum nuclei. Finally, we discuss an analysis of triboson production at CMS using an Effective Field Theory framework. Standard Model triboson production, which was first observed at CMS in 2020, has a relatively small cross section and provides direct access to both anomalous triple gauge couplings and quartic gauge couplings. These couplings, interpreted in the Standard Model Effective Field Theory, are studied in the present work. We target the boosted regime where the background rate is low and yields are enhanced when dimension-6 and dimension-8 Wilson coefficients are non-zero. We do not observe an excess in the data and therefore set bounds on the Wilson coefficients. For dimension-6 coefficients the tightest observed (expected) bounds are set on cW /Λ2 where Λ is the mass scale of new physics; the bounds are [−0.13, 0.12] TeV−2 ([−0.12, 0.12] TeV−2 ) at 95% CL. The tightest bounds in dimension-8 are set on fT,0 / Λ4 ; the observed (expected) bounds at 95% CL are [−0.63, 0.69] TeV−4 ([−0.54, 0.62] TeV−4 ). Additional results are presented which include scenarios where multiple Wilson coefficients are non-zero, the application of signal model clipping to address unitarity violation in Effective Field Theories, and a novel template fit developed for easier reinterpretation of our results.

Kampa, Cole Erik [Northwestern U. (main)] (ORCID:0↗

DOE OSTI2022

Cosmology intertwined: A review of the particle physics, astrophysics, and cosmology associated with the cosmological tensions and anomalies

The standard Λ Cold Dark Matter (ΛCDM) cosmological model provides a good description of a wide range of astrophysical and cosmological data. However, there are a few big open questions that make the standard model look like an approximation to a more realistic scenario yet to be found. In this paper, we list a few important goals that need to be addressed in the next decade, taking into account the current discordances between the different cosmological probes, such as the disagreement in the value of the Hubble constant H 0 , the σ 8 – S 8 tension, and other less statistically significant anomalies. While these discordances can still be in part the result of systematic errors, their persistence after several years of accurate analysis strongly hints at cracks in the standard cosmological scenario and the necessity for new physics or generalisations beyond the standard model. In this paper, we focus on the 5.0 σ tension between the Planck CMB estimate of the Hubble constant H 0 and the SH0ES collaboration measurements. After showing the H 0 evaluations made from different teams using different methods and geometric calibrations, we list a few interesting new physics models that could alleviate this tension and discuss how the next decade's experiments will be crucial. Moreover, we focus on the tension of the Planck CMB data with weak lensing measurements and redshift surveys, about the value of the matter energy density Ω m , and the amplitude or rate of the growth of structure ( σ 8 , f σ 8 ). We list a few interesting models proposed for alleviating this tension, and we discuss the importance of trying to fit a full array of data with a single model and not just one parameter at a time. Additionally, we present a wide range of other less discussed anomalies at a statistical significance level lower than the H 0 – S 8 tensions which may also constitute hints towards new physics, and we discuss possible generic theoretical approaches that can collectively explain the non-standard nature of these signals. Finally, we give an overview of upgraded experiments and next-generation space missions and facilities on Earth that will be of crucial importance to address all these open questions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Studies of nuclei under the extreme conditions of density, temperature, isospin asymmetry and the phase diagram of hadronic matter

The main emphasis of the entire project is on issues having to do with medium energy and ultra-relativistic energy and heavy ion collisions. A major goal of both theory and experiment is to study properties of hot dense nuclear matter under various extreme conditions and to map out the phase diagram in density or chemical potential and temperature. My studies in medium energy nuclear collisions focused on the liquid-gas phase transition and cluster yields from such transitions. Here I developed both the statistical model of nuclear multi-fragmentation and also a mean field theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2018

Rogue Waves in Multi-Ion Cometary Plasmas

The effect of pair ions on the formation of rogue waves in a six-component plasma composed of two hot and one colder electron component, hot ions, and pair ions is studied. The kappa distribution, which provides an unambiguous replacement for a Maxwellian distribution in space plasmas, is connected with nonextensive statistical mechanics and provides a continuous energy spectrum. Hence, the colder and one component of the hotter electrons is modeled by kappa distributions and the other hot electron component, by a q-nonextensive distribution. It is found that the rogue wave amplitude is different for various pair-ion components. The magnitude, however, increases with increasing spectral index and nonextensive parameter q. These results may be useful in understanding the basic characteristics of rogue waves in cometary plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

Distributed data management on Belle II

The Belle II experiment started taking physics data in April 2018 with an estimated total volume of all files including raw events, Monte-Carlo and skim statistics of 340 petabytes expected by the end of operations in the late-2020s. Originally designed as a fully integrated component of the BelleDIRAC production system, the Belle II distributed data management (DDM) software needs to manage data across about 29 storage elements worldwide for a collaboration of nearly 1000 physicists. By late 2018, this software required significant performance improvements to meet the requirements of physics data taking and was seriously lacking in automation. Rucio, the DDM solution created by ATLAS, was an obvious alternative but required tight integration with BelleDIRAC and a seamless yet non-trivial migration. This contribution describes the work done on both DDM options, the current status of the software running successfully in production and the problems associated with trying to balance long-term operations cost against short term risk. .

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Occupation Time of a Randomly Accelerated Particle on the Positive Half Axis: Results for the First Five Moments

In the random acceleration process a point particle is accelerated by Gaussian white noise with zero mean. Although several fundamental statistical properties of the motion have been analyzed in detail, the statistics of occupation times is still not well understood. We consider the occupation or residence time T{sub +} on the positive x axis of a particle which is randomly accelerated on the unbounded x axis for a time t. The first two moments of T{sub +} were recently derived by Ouandji Boutcheng et al. (J Stat Mech 053213:1–10, 2016). With an alternate approach utilizing basis functions which have proved useful in other studies of randomly accelerated motion, results for the first five moments are obtained in this paper.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Scale bridging damage model for quasi-brittle metals informed with crack evolution statistics

Computationally efficient methods for bridging length scales, from highly resolved micro/meso-scale models that can explicitly model crack growth, to macro-scale continuum models that are more suitable for modeling large parts, have been of interest to researchers for decades. In this work, an improved brittle damage model is presented for the simulation of dynamic fracture in continuum scale quasi-brittle metal components. Crack evolution statistics, including the number, length, and orientation of individual cracks, are extracted from high-fidelity, finite discrete element method (FDEM) simulations and used to generate effective material moduli that reflect the material’s damaged state over time. This strategy allows for the retention of small-scale physical behaviors such as crack growth and coalescence in continuum scale hydrodynamic simulations. However, the high-fidelity simulations required to generate the crack statistics are computationally expensive. Thus, steps were taken to produce a flexible constitutive model to reduce the number of costly high-fidelity simulations needed to produce accurate results. A new stress based degradation criterion is introduced for the degradation of individual material zones. This allows for the development of a heterogeneous damage distribution within the bulk material. Then a flow stress model is added to the hydrodynamic simulation to account for plasticity in quasi-brittle materials. As a result, the effective moduli model can be applied to a larger range of materials. The effective moduli constitutive model is used to simulate beryllium flyer plate experiments. The results from the continuum scale simulations using statistics from a single high-fidelity simulation are found to be in excellent agreement with numerical and experimental velocity interferometer data. The same set of crack statistics are used to extrapolate the results of a higher rate flyer plate case using the effective moduli model. In conclusion, the extension of this model to higher rate cases shows promise for further reducing the number of costly high-fidelity simulations needed to generate crack statistics.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Polymer informatics: Current status and critical next steps

Artificial intelligence (AI) based approaches are beginning to impact several domains of human life, science and technology. Polymer informatics is one such domain where AI and machine learning (ML) tools are being used in the efficient development, design and discovery of polymers. Surrogate models are trained on available polymer data for instant property prediction, allowing screening of promising polymer candidates with specific target property requirements. Questions regarding synthesizability, and potential (retro)synthesis steps to create a target polymer, are being explored using statistical means. Data-driven strategies to tackle unique challenges resulting from the extraordinary chemical and physical diversity of polymers at small and large scales are being explored. Other major hurdles for polymer informatics are the lack of widespread availability of curated and organized data, and approaches to create machine-readable representations that capture not just the structure of complex polymeric situations but also synthesis and processing conditions. Methods to solve inverse problems, wherein polymer recommendations are made using advanced AI algorithms that meet application targets, are being investigated. As various parts of the burgeoning polymer informatics ecosystem mature and become integrated, efficiency improvements, accelerated discoveries and increased productivity can result. Here in this paper, we review emergent components of this polymer informatics ecosystem and discuss imminent challenges and opportunities.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Investigating the domain of validity of the Gubser solution to the Boltzmann equation

Here, we study the evolution of the one particle distribution function that solves exactly the relativistic Boltzmann equation within the relaxation time approximation for a conformal system undergoing simultaneously azimuthally symmetric transverse and boost-invariant longitudinal expansion. We show, for arbitrary values of the shear viscosity to entropy density ratio, that the distribution function can become negative in certain kinematic regions of the available phase space depending on the boundary conditions. For thermal equilibrium initial conditions, we determine numerically the physical boundary in phase space where the distribution function is always positive definite. The requirement of positivity of this particular exact solution restricts its domain of validity, and it imposes physical constraints on its applicability.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

A physical method for downscaling land surface temperatures using surface energy balance theory

Fine-resolution land surface temperature (LST) derived from thermal infrared remote sensing images is a good indicator of surface water status and plays an essential role in the exchange of energy and water between land and atmosphere. A physical surface energy balance (SEB)-based LST downscaling method (DTsEB) is developed to downscale coarse remotely sensed thermal infrared LST products with fine-resolution visible and near-infrared data. Here, the DTsEB method is advantageous for its ability to mechanically interrelate surface variables contributing to the spatial variation of LST, to quantitatively weigh the contributions of each related variable within a physical framework, and to efficaciously avoid the subjective selection of scaling factors and the establishment of statistical regression relationships. The applicability of the DTsEB method was tested by downscaling 12 scenes of 990 m Moderate Resolution Imaging Spectroradiometer (MODIS) and aggregated Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) LST products to 90 m resolution at six overpass times between 2005 and 2015 over three 9.9 km by 9.9 km cropland (mixed by grass, tree, and built-up land) study areas. Three typical LST downscaling methods, namely the widely applied TsHARP, the later developed least median square regression downscaling (LMS) and the geographically weighted regression (GWR), were introduced for intercomparison. The results showed that the DTsEB method could more effectively reconstruct the subpixel spatial variations in LST within the coarse-resolution pixels and achieve a better downscaling accuracy than the TsHARP, LMS and GWR methods. The DTsEB method yielded, on average, root mean square errors (RMSEs) of 2.01 K and 1.42 K when applied to the MODIS datasets and aggregated ASTER datasets, respectively, which were lower than those obtained with the TsHARP method, with average RMSEs of 2.41 K and 1.71 K, the LMS method, with average RMSEs of 2.35 K and 1.63 K, and the GWR method, with average RMSEs of 2.38 K and 1.64 K, respectively. The contributions of the related surface variables to the subpixel spatial variation in the LST varied both spatially and temporally and were different from each other. In summary, the DTsEB method was demonstrated to outperform the TsHARP, LMS, and GWR methods and could be used as a good alternative for downscaling LST products from coarse to fine resolution with high robustness and accuracy.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Thermal Hysteresis and Ordering Behavior of Magnetic Skyrmion Lattices

The physics of phase transitions in two-dimensional (2D) systems underpins research in diverse fields including statistical mechanics, nanomagnetism, and soft condensed matter. However, many aspects of 2D phase transitions are still not well understood, including the effects of interparticle potential, polydispersity, and particle shape. Magnetic skyrmions are chiral spin-structure quasi-particles that form two-dimensional lattices. Here, in this study, we show, by real-space imaging using in situ cryo-Lorentz transmission electron microscopy coupled with machine learning image analysis, the ordering behavior of Néel skyrmion lattices in van der Waals Fe 3 GeTe 2 . We demonstrate a distinct change in the skyrmion size distribution during field-cooling, which leads to a loss of lattice order and an evolution of the skyrmion liquid phase. Remarkably, the lattice order is restored during field heating and demonstrates a thermal hysteresis. This behavior is explained by the skyrmion energy landscape and demonstrates the potential to control the lattice order in 2D phase transitions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2023

The cosmic DANCe of Perseus

Context. Star-forming regions are excellent benchmarks for testing and validating theories of star formation and stellar evolution. The Perseus star-forming region, being one of the youngest (< 10 Myr), closest (280-320 pc), and most studied in the literature, is a fundamental benchmark. Aims. We aim to study the membership, phase-space structure, mass, and energy (kinetic plus potential) distribution of the Perseus star-forming region using public catalogues (Gaia, APOGEE, 2MASS, and Pan-STARRS). Methods. We used Bayesian methodologies that account for extinction to identify the Perseus physical groups in the phase-space, retrieve their candidate members, derive their properties (age, mass, 3D positions, 3D velocities, and energy), and attempt to reconstruct their origin. Results. We identify 1052 candidate members in seven physical groups (one of them new) with ages between 3 and 10 Myr, dynamical super-virial states, and large fractions of energetically unbounded stars. Their mass distributions are broadly compatible with that of Chabrier for masses ≳0.1 M ⊙ and do not show hints of over-abundance of low-mass stars in NGC 1333 with respect to IC 348. These groups’ ages, spatial structure, and kinematics are compatible with at least three generations of stars. Future work is still needed to clarify if the formation of the youngest was triggered by the oldest. Conclusions. The exquisite Gaia data complemented with public archives and mined with comprehensive Bayesian methodologies allow us to identify 31% more members than previous studies, discover a new physical group (Gorgophone: 7 Myr, 191 members, and 145 M ⊙ ), and confirm that the spatial, kinematic, and energy distributions of these groups support the hierarchical star formation scenario.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗