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DOE OSTI2022

A muon–ion collider at BNL: The future QCD frontier and path to a new energy frontier of μ + μ – colliders

In this work, we propose the development and construction of a novel muon–ion collider (MuIC) at Brookhaven National Laboratory (BNL) in the USA as an upgrade to succeed the electron–ion collider (EIC) that is scheduled to commence in the early 2030s, by a joint effort of the nuclear and particle physics communities. The BNL facility could accommodate a muon storage beam with an energy up to about 1 TeV with existing magnet technology. When collided with a 275 GeV hadron beam, the MuIC center-of-mass energy of about 1 TeV will extend the kinematic coverage of deep inelastic scattering physics at the EIC (with polarized beams) by more than an order of magnitude in Q 2 and x, opening a new QCD frontier to address many fundamental scientific questions in nuclear and particle physics. This coverage is comparable to that of the proposed Large Hadron–Electron Collider (LHeC) at CERN, but with complementary lepton and hadron kinematics, ion species, and beam polarization. Additionally, the development of a MuIC at BNL will focus the worldwide R&D efforts on muon collider technology and serve as a demonstrator toward a future muon–antimuon collider at O(10) TeV energy, which is an attractive option to reach the next high energy frontier in particle physics at an affordable cost and a smaller footprint than a future circular hadron collider. We discuss here the possible design parameters of the MuIC, kinematic coverage, science cases, and detector design considerations including resolution estimates on DIS kinematic variables. A possible road map toward the future MuIC and muon–antimuon colliders is also presented.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Impact of n -Butylammonium Bromide on the Chemical and Electronic Structure of Double-Cation Perovskite Thin Films

2D/3D perovskite heterostructures have emerged as a promising material composition to reduce nonradiative recombination in perovskite-based LEDs and solar cells. Such heterostructures can be created by a surface treatment with large organic cations, for example, n-butylammonium bromide (BABr). To understand the impact of the BABr surface treatment on the double-cation (Cs 0.17 FA 0.83 Pb(I 0.6 Br 0.4 ) 3 ) (FA = formamidinium) perovskite thin film and further optimize the corresponding structures, an in-depth understanding of the chemical and electronic properties of the involved surfaces, interfaces, and bulk is required. We study the impact of the BABr treatment with a combination of surface-sensitive X-ray photoelectron spectroscopy and bulk-sensitive resonant inelastic soft X-ray scattering (RIXS). A quantitative analysis of the BABr-treated perovskite thin film shows a modified chemical perovskite surface environment of carbon, nitrogen, bromine, iodine, and lead, indicating that the treatment leads to a perovskite surface with a modified composition and bonding structure. With K-edge RIXS, the local environment at the nitrogen and carbon atoms is probed, allowing us to identify the presence of BABr in the perovskite bulk albeit with a modified bonding environment. This, in turn, identifies a "hidden parameter" for the optimization of the BABr treatment and overall performance of 2D/3D perovskite solar cell absorbers.

2D/3D perovskite heterostructure↗

DOE OSTI2021

Evaluating the ProtoDUNE-SP Detector Performance to Measure a 6 GeV/c Positive Kaon Inelastic Cross Section on Argon

The ProtoDUNE Single-Phase Liquid Argon Time Projection Chamber \\ (ProtoDUNE-SP LArTPC) is a prototype for the Deep Underground Neutrino Experiment (DUNE), a future long-baseline neutrino oscillation experiment. Based at the CERN Neutrino Platform, ProtoDUNE-SP LArTPC collected data from a charged test beam in the fall of 2018. It then took data of cosmic-ray muons from November 2018 to the summer of 2020. The main goals of the prototype were to measure parameters related to charged particle passage in argon and evaluate the performance of the detector to inform future DUNE Far Detector development. The test beam provided kaons, pions, muons, protons, and electrons to the detector. These particles represent common final state particles in neutrino interactions, therefore providing information to DUNE on modeling charged particles in argon for its neutrino physics program. In addition to neutrino physics, DUNE has proposed an analysis using the DUNE Far Detector module to set limits for proton decay through the decay channel $p\rightarrow K^++\bar{\nu}$. This measurement would require information on kaons in argon, providing ProtoDUNE-SP LArTPC another opportunity to aid DUNE. This thesis describes the calibration of ProtoDUNE-SP and its detector performance, which serves as a benchmark for the performance of the DUNE Far Detector modules. A specific calibration highlighted is the evaluation of the liquid argon purity in the detector. These measurements use cosmic-ray muons reconstructed in the detector that are calibrated and matched to data from scintillator strips external to the TPC, known as the Cosmic Ray Tagger (CRT). The thesis will discuss the algorithms to match the data between the ProtoDUNE-SP LArTPC and the CRT and discuss the liquid argon purity measurements using one of the algorithms. Data sets of calibrated tracks measured the liquid argon contamination as consistently below 100 ppt oxygen equivalent. After these discussions on the ProtoDUNE-SP LArTPC detector, the thesis will present an evaluation of the inclusive inelastic, sometimes referred to as a reactive, cross section on argon of kaons from the ProtoDUNE-SP test beam with an average momentum of 6 GeV/c.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

One Dimensional Penstock Flow Models for Hydropower Digital Twin

This report details the inelastic, unsteady, one-dimensional flow equations that are used to model flow through a penstock in a hydropower facility. The flow model is coupled to a mechanistic turbine model to compute the rotation rate of the turbine, which is dependent on the flow rate, gravitational head, and various parameters of the machine, such as inlet vane angle. Results are given for an example hydropower facility in which the turbine is subjected to a specified time-varying load, and the results on the flow rate are shown. Future applications for the flow model are also briefly reviewed.

13 HYDRO ENERGY↗

DOE OSTI2024

Power counting to saturation

We present a description of saturation in small 𝑥 deep inelastic scattering from power counting in a top-down effective theory derived from quantum chromodynamics (QCD). A factorization formula isolates the universal physics of the nucleus at leading power in 𝑥. The onset of saturation is then understood as a breakdown in the expansion in an emergent power counting parameter, which is defined by the matrix element of a gauge invariant operator. We identify a new radiation mode, which enables us to extend previous literature by distinguishing the appearance of the saturation scale from the transition to nonlinear evolution.

Astronomy & Astrophysics↗

DOE OSTI2020

Single Crystal Plasticity Model with Deformation Twinning for the High Rate Deformation of β-HMX

Deformation twinning is an active deformation mechanism during loading along certain crystallographic directions of β-cyclotetramethylene tetranitramine (β-HMX). In this work, a finite strain thermomechanical model is extended to include twinning as a deformation mechanism in addition to plastic slip. The stress is derived from the free energy expression including a term representing the equation of state. The crystal plasticity framework is used to divide the total strain into inelastic and elastic component, where the elastic part is used in the expression for the free energy. The twin systems are treated as pseudo slip systems and the shear rate on the twin systems is evaluated in terms of the twin resistance and the projection of the stress tensor. The model parameters were calibrated against a set of plate impact experiments performed on β-HMX by Dick et al. The remaining plate impact experiments are used to evaluate the predictive capability of the model. The quality of the model fits and predictions is discussed from a physical and modeling perspective. Particularly, the role of twin modeling on results is highlighted. Finally, the model is used to explore the relationship between the propensity for twinning and crystal orientation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Factorized QED and QCD contribution to deeply inelastic scattering

We present the first calculation of next-to-leading order (NLO) factorized QED and QCD contributions to the short-distance hard coefficients of inclusive lepton-hadron deep inelastic scattering (DIS) in a joint QED and QCD factorization approach. Unlike the traditional radiative correction approach to handle the collision-induced QED contributions to DIS, QED radiation from all charged leptons and quarks are treated equally, and their collinear sensitivities are systematically factorized into corresponding universal lepton and parton distribution functions. We demonstrate that the NLO factorized short-distance QED contribution is completely infrared safe and calculable without the need of any parameters other than the standard factorization scale in the same way as the factorized short-distance QCD contribution. We discuss the potential impact of this joint factorization approach on the extraction of partonic information from lepton-hadron DIS.

Deep inelastic scattering↗

DOE OSTI2024

Boosted Dark Matter Search with the ICARUS Detector at the Gran Sasso Underground National Laboratory

The quest to discover dark matter is one of the most pressing topics in modern physics. Evidence of gravitational anomalies is present at different cosmological scales, spanning the stability and rotation of galaxies to the overall density profile of the entire observable Universe. Due to the discrepancy between the mass measured and the gravitational influence on the mass, if General Relativity is to correctly describe gravity at different scales, extra electromagnetically invisible matter termed dark matter must exist. In recent decades, many experiments have been performed to detect dark matter with masses that span many orders of magnitude, from Mass Compact Halo Objects (MACHOs) with masses several orders of magnitude that of our sun to very light particles on the order of $\sim\mu$eV. However, experiments have only been able to constrain the possible parameter space of dark matter models and, in general, probe dark matter models with single constituent dark matter like Weakly Interacting Massive Particles (WIMPs). In the Boosted Dark Matter (BDM) paradigm, there are four particles in the dark sector: $\chi_0$, $\chi_1$, $\chi_2$, and the dark photon $X$. WIMP-like properties are ascribed to $\chi_0$ to describe the physics of the gravitational anomalies, while relativistic components are assigned to $\chi_1$ and $\chi_2$. The inelastic boosted dark matter (iBDM) channel $\chi_1 e^-\rightarrow \chi_2 e^-\rightarrow \chi_1 Xe^-\rightarrow \chi_1 (e^+ e^- ) e^-$, where $\chi_2$ is an excited state of $\chi_1$, has a unique signature that is distinguishable from neutrino interactions, making neutrino experiments a viable search environment for BDM. Using data collected by the ICARUS collaboration with ICARUS T-600 Liquid Argon Time Projection Chamber (LArTPC) during its operation at the Gran Sasso Underground Laboratory (LNGS), the first-ever LArTPC dark matter search using the ICARUS detector is presented. With a total detector exposure of 0.13 kton$\cdot$year, a total of 4 iBDM candidate events were identified by several stages of data scanning. All were rejected due to defined selection criteria and a wire-by-wire $dE/dx$ evaluation, giving a null result. Exclusion plots at 90\%C.L. for the dark photon ($m_X$, $\epsilon$) parameter space for fixed ($m_0,m_1,m_2$) DM mass sets are presented, setting new limits on the dark photon visible decay parameter space.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Recombination of 𝐵 𝑐 mesons in ultrarelativistic heavy-ion collisions

High-energy heavy-ion collisions have been suggested as a favorable environment for the production of 𝐵 𝑐 mesons, due to a much larger abundance of charm and bottom quarks compared to elementary reactions. Motivated by recent CMS data for 𝐵$^{+}_{𝑐}$ production in Pb-Pb(5.02 TeV) collisions at the Large Hadron Collider (LHC), we deploy a previously developed transport approach for charmonia and bottomonia to evaluate the kinetics of 𝐵 𝑐 mesons throughout the fireball formed in these reactions. The main inputs to our approach are two transport parameters: the 𝐵 𝑐 's reaction rate and equilibrium limit. Both quantities are determined by previous calculations via a combination of charm and bottom sectors. In-medium binding energies of 𝐵 𝑐 mesons are calculated from a thermodynamic 𝑇 matrix with a lattice-QCD constrained potential, and figure in their inelastic reaction rates. Temperature-dependent equilibrium limits include charm- and bottom-quark fugacities based on their initial production. We compute the centrality dependence of inclusive 𝐵 𝑐 production and transverse-momentum (𝑝 𝑇 ) spectra using two different recombination models: instantaneous coalescence and resonance recombination. The main uncertainty in the resulting nuclear modification factors, 𝑅 AA , is currently associated with the 𝐵 𝑐 cross section in elementary 𝑝⁢𝑝 collisions, caused by the uncertainty in the branching ratio for the 𝐵$^{−}_{𝑐}$ → 𝐽/𝜓⁢𝜇 − ⁢$\overline{𝜈}$ decay. Our results indicate a large enhancement of the 𝑅 AA at low 𝑝 𝑇 , with significant regeneration contributions up to 𝑝 𝑇 ≃ 20GeV. Comparisons to CMS data are carried out but firm conclusions will require a more accurate value of the branching ratio, or alternative channels to measure the 𝐵 𝑐 production in 𝑝⁢ collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1976

Secondary cosmic-ray electrons and positrons from 1 to 100 GeV in the upper atmosphere and interstellar space, and interpretation of a recent positron flux measurement

Secondary electron and positron fluxes generated in interstellar space and in the atmosphere from the decays of pions and kaons in inelastic nuclear interactions are calculated by Monte Carlo techniques for lepton energies in the range from 1 to 100 GeV and an assumed thickness of 10 g/sq cm or less for the interstellar or atmospheric material. A simple and accurate analytical model which summarizes the Monte Carlo results and identifies the essential parameters involved is developed and used to interpret a previous positron measurement. It is found that the thickness of interstellar and source material is about 4.3 g/sq cm for cosmic-ray positrons with energies exceeding 4 GeV, a result that is difficult to reconcile with recently proposed two-containment-volume propagation models which predict a thickness of 1.8 g/sq cm for the same energies on the basis of the energy dependence of the measured (Li+Be+B)/(C+O) ratio. It is shown that single-containment-volume (galactic) models invoking an energy-dependent leakage lifetime are compatible with the positron data, but lack a mechanism to explain the energy dependence.

Orth, C. D.↗

NASA NTRS2001

General Multimechanism Reversible-Irreversible Time-Dependent Constitutive Deformation Model Being Developed

Since most advanced material systems (for example metallic-, polymer-, and ceramic-based systems) being currently researched and evaluated are for high-temperature airframe and propulsion system applications, the required constitutive models must account for both reversible and irreversible time-dependent deformations. Furthermore, since an integral part of continuum-based computational methodologies (be they microscale- or macroscale-based) is an accurate and computationally efficient constitutive model to describe the deformation behavior of the materials of interest, extensive research efforts have been made over the years on the phenomenological representations of constitutive material behavior in the inelastic analysis of structures. From a more recent and comprehensive perspective, the NASA Glenn Research Center in conjunction with the University of Akron has emphasized concurrently addressing three important and related areas: that is, 1) Mathematical formulation; 2) Algorithmic developments for updating (integrating) the external (e.g., stress) and internal state variables; 3) Parameter estimation for characterizing the model. This concurrent perspective to constitutive modeling has enabled the overcoming of the two major obstacles to fully utilizing these sophisticated time-dependent (hereditary) constitutive models in practical engineering analysis. These obstacles are: 1) Lack of efficient and robust integration algorithms; 2) Difficulties associated with characterizing the large number of required material parameters, particularly when many of these parameters lack obvious or direct physical interpretations.

Saleeb, A. F.↗

DOE OSTI2022

Proton Scattering in NOvA Test Beam

The NuMI Off-axis $\nu_e$ Appearance (NOvA) experiment is a two-detector, long baseline, neutrino oscillation experiment, which aims to make a determination of the neutrino mass ordering, the octant of $\theta_{23}$, and measure possible charge-parity (CP) violation. Determining these parameters is a step towards answering some of the fundamental questions about neutrinos. Are neutrinos their own antiparticle? Could neutrinos be responsible for the matter-antimatter asymmetry of the universe? How do neutrinos get their mass? Answering these questions requires precise measurements of the parameters that govern how neutrinos behave, namely the mass squared splittings, mixing angles, and possible CP-violating phase factor in the PNMS matrix. Reaching high precision requires minimizing both statistical and systematic errors. As NOvA continues to accumulate data, the sizes of our statistical errors continue to shrink such that in a couple of years they will be comparable to our systematic errors. NOvA's current systematic errors are dominated by energy and calibration uncertainties. The Test Beam program was initiated to address these uncertainties by assessing the detector response in an environment where more parameters of the incoming particles are known. One of the main goals of the Test Beam program is to garner a better understanding of our systematic errors, particularly in energy measurement and detector response, so that the modeling of these parameters can be improved. I studied protons in the Test Beam Detector with momenta around \unit[1]{GeV/c}, the high end of the momentum range relevant to quasielastic neutrino interactions in NOvA. One question this sample can help to answer is if we correctly simulate the fraction of protons that have an inelastic scattering interaction versus ranging out. If protons inelastically scatter at different rates in our simulation and data, the correction applied to the hadronic system when reconstructing neutrino energy could be inaccurate, since events with inelastic scattering will have less visible energy in the detector. This is particularly important for quasielastic $\nu_\mu$ events, which have the lowest hadronic energy resolution, and therefore give us our best measurements of $\Delta m_{32}^2$ and $\theta_{23}$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Speed of sound in methane under conditions of planetary interiors

We present direct observations of acoustic waves in warm dense matter. We analyze wave-number- and energy-resolved x-ray spectra taken from warm dense methane created by laser heating a cryogenic liquid jet. X-ray diffraction and inelastic free-electron scattering yield sample conditions of 0.3 ± 0.1 eV and 0.8 ± 0.1 g/ cm − 3 , corresponding to a pressure of ∼ 13 GPa. Inelastic x-ray scattering was used to observe the collective oscillations of the ions. With a highly improved energy resolution of ∼ 50 meV, we could clearly distinguish the Brillouin peaks from the quasielastic Rayleigh feature. Data at different wave numbers were utilized to derive a sound speed of 5.9 ± 0.5 km/s, marking a high-temperature data point for methane and demonstrating consistency with Birch's law in this parameter regime. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Effect of Pressure on Crystal Structure and Phonon Density of States of FeSi

The strongly correlated material FeSi displays several unusual thermal, magnetic, and structural properties under varying pressure-temperature (P-T) conditions. It is a potential thermoelectric alloy and a material with several geochemical implications as a possible constituent at the Earth's core-mantle boundary (CMB). Previous theoretical studies predicted a pressure-induced B20-B2 transition at ambient temperature below 40 GPa; however, experimentally, the structural transition is observed only at high P-T conditions. In this study, we have performed high-pressure powder X-ray diffraction (XRD) up to 90 GPa and Nuclear Resonant Inelastic X-ray Scattering (NRIXS) measurements up to 120 GPa to understand the phase stability and lattice dynamics. Our study provides evidence for a non-hydrostatic stress-induced B20-B2 transition in FeSi at around 36 GPa. We deduced the Fe partial phonon density of states (PDOS) and thermal parameters from NRIXS measurements up to 120 GPa and compared them with density functional theory (DFT) calculations. Furthermore, the computations show pressure-induced metallization and the band gap closing around 12 GPa.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Real-Space Local Dynamics of Molten Inorganic Salts Using Van Hove Correlation Function

Molten inorganic salts are attracting resurgent attention because of their unique physicochemical properties, making them promising media for next-generation concentrating solar power systems and molten salt reactors. The dynamics of these highly disordered ionic media is largely studied by theoretical simulations, while the robust experimental techniques capable of observing local dynamics are not well-developed. To provide fundamental insights into the atomic-scale transport properties of molten salts, we report the real-space dynamics of molten magnesium chloride at high temperatures employing the Van Hove correlation function obtained by inelastic neutron scattering. Overall, our results directly depict the distance-dependent dynamics of a molten salt on the picosecond time scale. This study demonstrates the capability of the developed approach to describe the locally correlated- and self-dynamics in molten salts, significantly improving our understanding of the interplay between microscopic structural parameters and their dynamics that ultimately control physical properties of condensed matter in extreme environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1995

Lithospheric bending at subduction zones based on depth soundings and satellite gravity

A global study of trench flexure was performed by simultaneously modeling 117 bathymetric profiles (original depth soundings) and satellite-derived gravity profiles. A thin, elastic plate flexure model was fit to each bathymetry/gravity profile by minimization of the L(sub 1) norm. The six model parameters were regional depth, regional gravity, trench axis location, flexural wavelength, flexural amplitude, and lithospheric density. A regional tilt parameter was not required after correcting for age-related trend using a new high-resolution age map. Estimates of the density parameter confirm that most outer rises are uncompensated. We find that flexural wavelength is not an accurate estimate of plate thickness because of the high curvatures observed at a majority of trenches. As in previous studies, we find that the gravity data favor a longer-wavelength flexure than the bathymetry data. A joint topography-gravity modeling scheme and fit criteria are used to limit acceptable parameter values to models for which topography and gravity yield consistent results. Even after the elastic thicknesses are converted to mechanical thicknesses using the yield strength envelope model, residual scatter obscures the systematic increase of mechanical thickness with age; perhaps this reflects the combination of uncertainties inherent in estimating flexural wavelength, such as extreme inelastic bending and accumulated thermoelastic stress. The bending moment needed to support the trench and outer rise topography increases by a factor of 10 as lithospheric age increases from 20 to 150 Ma; this reflects the increase in saturation bending moment that the lithosphere can maintain. Using a stiff, dry-olivine rheology, we find that the lithosphere of the GDH1 thermal model (Stein and Stein, 1992) is too hot and thin to maintain the observed bending moments. Moreover, the regional depth seaward of the oldest trenches (approximately 150 Ma) exceeds the GDH1 model depths by about 400 m.

Levitt, Daniel A.↗

DOE OSTI2024

Magnetic interactions and excitations in SrMnSb 2

The magnetic interactions in the antiferromagnetic (AFM) Dirac semimetal candidate SrMnSb 2 are investigated using ab initio linear response theory and inelastic neutron scattering (INS). Our calculations reveal that the first two nearest in-plane couplings (J 1 and J 2 ) are both AFM in nature, indicating a significant degree of spin frustration, which aligns with experimental observations. The orbital resolution of exchange interactions shows that J 1 and J 2 are dominated by direct and superexchange, respectively. In a broader context, a rigid-band model suggests that electron doping fills the minority spin channel and results in a decrease in the AFM coupling strength for both J 1 and J 2 . To better compare with INS measurements, we calculate the spin-wave spectra within a linear spin-wave theory, utilizing the computed exchange parameters. Although the calculated spin-wave spectra somewhat overestimate the magnon bandwidth, they exhibit overall good agreement with measurements from INS experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Lattice Dynamics of Sb 2 Se 3 from Inelastic Neutron and X-Ray Scattering

The lattice dynamics of orthorhombic Sb 2 Se 3 is studied by a combination of inelastic neutron and 121 Sb nuclear inelastic scattering giving access to the total and Sb partial density of phonon states (DPS). The Se partial DPS is determined from the difference between the total and Sb partial DPS. The total DPS is determined at 39, 150, and 300 K, and an analysis of the temperature-induced mode shifts in combination with low-temperature powder diffraction data is provided. Using an earlier reported theoretical approach, the corresponding total and partial DPS of Sb 2 Se 3 are calculated by first-principles calculations. Herein, a detailed analysis of the Grüneisen parameter, element-specific and bulk Debye temperatures, and the mean force constants as derived from the experimental data and discrete Fourier transform calculations is provided. In general, the calculations underestimate the strength of the covalent Sb-Se bonds.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗