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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2023

Circular dichroism in hard X-ray photoelectron diffraction observed by time-of-flight momentum microscopy

X-ray photoelectron diffraction (XPD) is a powerful technique that yields detailed structural information of solids and thin films that complements electronic structure measurements. Among the strongholds of XPD we can identify dopant sites, track structural phase transitions, and perform holographic reconstruction. High-resolution imaging of k ll -distributions (momentum microscopy) presents a new approach to core-level photoemission. It yields full-field k x -k y XPD patterns with unprecedented acquisition speed and richness in details. Here, we show that beyond the pure diffraction information, XPD patterns exhibit pronounced circular dichroism in the angular distribution (CDAD) with asymmetries up to 80%, alongside with rapid variations on a small k ll -scale (0.1 Å -1 ). Measurements with circularly-polarized hard X-rays (hν = 6 keV) for a number of core levels, including Si, Ge, Mo and W, prove that core-level CDAD is a general phenomenon that is independent of atomic number. The fine structure in CDAD is more pronounced compared to the corresponding intensity patterns. Additionally, they obey the same symmetry rules as found for atomic and molecular species, and valence bands. Further, the CD is antisymmetric with respect to the mirror planes of the crystal, whose signatures are sharp zero lines. Calculations using both the Bloch-wave approach and one-step photoemission reveal the origin of the fine structure that represents the signature of Kikuchi diffraction. To disentangle the roles of photoexcitation and diffraction, XPD has been implemented into the Munich SPRKKR package to unify the one-step model of photoemission and multiple scattering theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

The forward-backward asymmetry and differences of partial moments in inclusive semileptonic $B$ decays

Global fits to moments of kinematic distributions measured in inclusive semileptonic B\rightarrow X_c l \nu_l B → X c l ν l enable the determination of the Cabibbo-Kobayashi-Maskawa matrix element \left|V_{cb}\right| | V c b | together with non-perturbative matrix elements of the heavy quark expansion. In current fits, only two distinct kinematic distributions are employed and, as a consequence, higher moments of these distributions need to be taken into account to extract the relevant non-perturbative matrix elements. The moments of a given distribution are highly correlated and experimental uncertainties increase for higher moments. To address these issues, Turczyk suggested the inclusion of the charged lepton forward-backward asymmetry \mathcal{A}_{FB} 𝒜 F B in global fits, since it provides information on non-perturbative parameters beyond the commonly used moments. It is possible to construct differences of partial moments of kinematic distributions, which can provide additional information on the non-perturbative parameters beyond \mathcal{A}_{FB} 𝒜 F B and are studied in this work for the first time. Further, experimental cuts on the four-momentum transfer square are studied and are shown to preserve the shape of the angular distribution, in contrast to commonly used cuts on the lepton energy. Finally, the impact of final-state radiation and experimental lepton identification requirements on measurements of \mathcal{A}_{FB} 𝒜 F B and differences of partial moments are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Anomalous two-photon Compton scattering

Abstract X-ray free-electron lasers can generate radiation pulses with extreme peak intensities at short wavelengths. This enables the investigation of laser–matter interactions in a regime of high fields, yet at a non-relativistic ponderomotive potential, where ordinary rules of light–matter interaction may no longer apply and nonlinear processes are starting to become observable. Despite small cross-sections, first nonlinear effects in the hard x-ray regime have recently been observed in solid targets, including x-ray-optical sum-frequency generation (XSFG), x-ray second harmonic generation (XSHG) and two-photon Compton scattering (2PCS). Nonlinear interactions of bound electrons in the x-ray range are fundamentally different from those dominating at optical frequencies. Whereas in the optical regime nonlinearities are predominantly caused by anharmonicities of the atomic potential in the chemical bonds, x-ray nonlinearities far above atomic resonances are expected to be due to nonlinear oscillations of quasi-free electrons, including inner-shell atomic electrons. While the quasi-free-electron model agrees reasonably well with the experimental data for XSFG and XSHG, 2PCS measurements have led to unexpected results: the energy of the nonlinearly scattered photons from non-relativistic electrons shows a substantial unexpected red shift in addition to the Compton shift that is well beyond that predicted by a nonlinear quantum electrodynamics model for free electrons. A potential explanation for the spectral broadening is based on a previously unexplored scattering process that involves the whole atom rather than just quasi-free electrons. A first simulation that includes the atomic binding potential was successful in describing a broadening of the spectrum of the nonlinearly scattered photons to longer wavelengths for soft x-rays. However, the same model does not show any broadening at hard x-ray wavelengths, which is in agreement with other simulation approaches. To this point no calculation has been able to reproduce the experimentally observed broadening. Here we present further experimental data of 2PCS for an extended parameter range using additional diagnostics. In particular, we present measurements of the electron momentum distribution during the interaction that strongly suggest that the spectral broadening is not caused by an increased plasma temperature. We extend our measurement of the magnitude of the red shift in beryllium to > 1.9 k e V in addition to the Compton shift expected for free electrons and expand the measurement of the angular distribution to include forward scattering angles. We also present first measurements of 2PCS from diamond.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

DELVE Milky Way Satellite Galaxy Census. I. Satellite Population and Survey Selection Function in DES, DELVE, and Pan-STARRS

The properties of Milky Way satellite galaxies have important implications for galaxy formation, reionization, and the fundamental physics of dark matter. However, the population of Milky Way satellites includes the faintest known galaxies, and current observations are incomplete. To understand the impact of observational selection effects on the known satellite population, we perform rigorous, quantitative estimates of the Milky Way satellite galaxy detection efficiency in three wide-field survey datasets: the Dark Energy Survey Year 6, the DECam Local Volume Exploration Data Release 3, and the Pan-STARRS1 Data Release 1. Together, these surveys cover ∼13,600 deg 2 to g ∼ 24.0 and ∼27,700 deg 2 to g ∼ 22.5, spanning ∼91% of the high-Galactic-latitude sky (∣b∣ ≥ 15°). We apply multiple detection algorithms over the combined footprint and recover 49 known satellites above a strict census detection threshold. To characterize the sensitivity of our census, we run our detection algorithms on a large set of simulated galaxies injected into the survey data, which allows us to develop models that predict the detectability of satellites as a function of their properties. We then fit an empirical model to our data and infer the luminosity function, radial distribution, and size–luminosity relation of Milky Way satellite galaxies. Our empirical model predicts a total of $265^{+79}_{-47}$ satellite galaxies with −20 ≤ M V ≤ 0, half-light radii of 15 ≤ r 1/2 , (pc) ≤ 3000, and galactocentric distances of 10 ≤ D GC (kpc) ≤ 300. We also identify a mild anisotropy in the angular distribution of the observed galaxies, at a significance of ∼2σ, which can be attributed to the clustering of satellites associated with the LMC.

Tan, Chin Yi [Univ. of Chicago, IL (United States)↗
DOE OSTI2026

Forward modeling approach to nuclear reaction cross sections: Applications in neutron inelastic scattering

The development of nuclear reaction models for the production of evaluated nuclear data has traditionally been performed by comparing measured cross sections with predictions from reaction model codes whose physical input parameters are adjusted to obtain the best agreement between measured and modeled results. To more directly probe reaction model inputs, this work introduces a forward modeling approach to experimental reaction cross-section determination, where the most important physical input parameters to reaction model calculations are obtained via 𝜒 2 minimization between measured and calculated observables. This was demonstrated using data collected by the Gamma Energy Neutron Energy Spectrometer for Inelastic Scattering (GENESIS) at the 88-inch cyclotron at Lawrence Berkeley National Laboratory, a detection array consisting of organic liquid scintillators and high-purity germanium (HPGe) detectors. Using a broad-spectrum neutron beam and a 99.98%-enriched 56 Fe target, GENESIS was used to perform a simultaneous measurement of 56 Fe 𝛾-ray production cross sections and secondary neutron energy and angle distributions. The results of the forward modeling approach to the determination of energy-differential 𝛾-ray production cross sections for the yrast 4 + → 2 + and 6 + → 4 + transitions, as well as eight other off-yrast transitions, were compared against those obtained using conventional techniques, and the results are in good agreement. In addition to discrete 𝛾-ray yield total scattered neutron energy-angular distributions as a function of incident neutron energy were also obtained using forward modeling and found to agree with evaluated data, with the exception of elastic scattering at small angles. The fitted reaction model parameters obtained through forward modeling were also used to calculate the cross section for the unobserved (𝑛, 2⁢𝑛) reaction; excellent agreement with the current evaluation was obtained, providing a validation of the predictive capabilities of the forward model approach. This work bridges the gap between nuclear data experiment and evaluation by providing a new means for extracting inelastic neutron-scattering cross sections and neutron-induced 𝛾-ray production data while directly probing reaction model physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Time-resolved photoelectron imaging of complex resonances in molecular nitrogen

We have used the FERMI free-electron laser to perform time-resolved photoelectron imaging experiments on a complex group of resonances near 15.38 eV in the absorption spectrum of molecular nitrogen, N-2, under jet-cooled conditions. The new data complement and extend the earlier work of Fushitani et al. [Opt. Express 27, 19702-19711 (2019)], who recorded time-resolved photoelectron spectra for this same group of resonances. Time-dependent oscillations are observed in both the photoelectron yields and the photoelectron angular distributions, providing insight into the interactions among the resonant intermediate states. In addition, for most states, we observe an exponential decay of the photoelectron yield that depends on the ionic final state. This observation can be rationalized by the different lifetimes for the intermediate states contributing to a particular ionization channel. Finally, although there are nine resonances within the group, we show that by detecting individual photoelectron final states and their angular dependence, we can identify and differentiate quantum pathways within this complex system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Estimate of the Mass and Radial Profile of the Orphan–Chenab Stream's Dwarf-galaxy Progenitor Using MilkyWay@home

We fit the mass and radial profile of the Orphan–Chenab Stream's (OCS) dwarf-galaxy progenitor by using turnoff stars in the Sloan Digital Sky Survey and the Dark Energy Camera to constrain N-body simulations of the OCS progenitor falling into the Milky Way on the 1.5 PetaFLOPS MilkyWay@home distributed supercomputer. We infer the internal structure of the OCS's progenitor under the assumption that it was a spherically symmetric dwarf galaxy composed of a stellar system embedded in an extended dark matter halo. We optimize the evolution time, the baryonic and dark matter scale radii, and the baryonic and dark matter masses of the progenitor using a differential evolution algorithm. The likelihood score for each set of parameters is determined by comparing the simulated tidal stream to the angular distribution of OCS stars observed in the sky. We fit the total mass of the OCS's progenitor to (2.0 ± 0.3) × 10 7 M ⊙ with a mass-to-light ratio of γ = 73.5 ± 10.6 and (1.1 ± 0.2) × 10 6 M ⊙ within 300 pc of its center. Within the progenitor's half-light radius, we estimate a total mass of (4.0 ± 1.0) × 10 5 M ⊙ . We also fit the current sky position of the progenitor's remnant to be (α, δ) = ((166.0 ± 0.9)°, (–11.1 ± 2.5)°) and show that it is gravitationally unbound at the present time. The measured progenitor mass is on the low end of previous measurements and, if confirmed, lowers the mass range of ultrafaint dwarf galaxies. Our optimization assumes a fixed Milky Way potential, OCS orbit, and radial profile for the progenitor, ignoring the impact of the Large Magellanic Cloud.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Single-neutron adding on $^{34}$S

For this work, single-neutron adding data was collected in order to determine the distribution of the single-neutron strength of the 0ƒ 7/2 , 1p 3/2 , 1p 1/2 and 0ƒ 5/2 orbitals outside of Z = 16, N = 18, 34 S. The 34 S(d,p) 35 S reaction has been measured at 8 MeV/u to investigate cross sections to excited states in 35 S. Outgoing proton yields and momenta were analyzed by the Super-Enge Split-Pole Spectrograph in conjunction with the CeBrA demonstrator located at the John D. Fox Laboratory at Florida State University. Angular distributions were compared with Distorted Wave Born Approximation calculations in order to extract single-neutron spectroscopic overlaps. Spectroscopic overlaps and strengths were determined for states in S up through 6 MeV in excitation energy. Each orbital was observed to have fragmented strength where a single level carried the majority. The single-neutron centroids of the 0ƒ 7/2 , 1p 3/2 , 1p 1/2 and 0ƒ 5/2 orbitals were determined to be 2360$^{+90}_{-40}$ keV, 3280$^{+80}_{-50}$ keV, 4780$^{+60}_{-40}$ keV, and ≳7500 keV, respectively. A previous discrepancy in the literature with respect to the distribution of the neutron 1p 1/2 strength was resolved. The integration of the normalized spectroscopic strengths, up to 5.1 MeV in excitation energy, revealed fully-vacant occupancies for the 0ƒ 7/2 , 1p 3/2 , and 1p 1/2 orbitals, as expected. The spacing in the single-neutron energies highlighted a reduction in the traditional N = 28 shell-gap, relative to both the 1p spin-orbit energy difference (N = 32) and the lower limit on the N = 34 shell spacing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

X-ray and molecular dynamics study of the temperature-dependent structure of molten NaF-Zr⁢F 4

The local atomic structure of NaF-Zr⁢F 4 (53–47 mol%) molten system and its evolution with temperature are examined with x-ray scattering measurements which are then used to validate the quality of ab initio and neural network-based molecular dynamics (NNMD) calculations in the temperature range 515–700°⁢C. The machine-learning enhanced NNMD calculations offer improved efficiency while maintaining accuracy at higher distances compared to ab initio calculations. Looking at the evolution of the pair distribution function with increasing temperature, a fundamental change in the liquid structure within the selected temperature range, accompanied by a slight decrease in overall correlation is revealed. NNMD calculations indicate the coexistence of three different fluorozirconate complexes: [Zr⁢F 6 ] 2– , [Zr⁢F 7 ] 3– , and [Zr⁢F 8 ] 4– , with a shift in the dominant coordination state from the 7-coordinated Zr cation toward a 6-coordinated cation with increasing temperature. The study also highlights the metastability of different local coordination structures, with frequent interconversions between the 6- and 7-coordinate states. Analysis of the Zr-F-Zr angular distribution function reveals the presence of both “edge-sharing” and “corner-sharing” fluorozirconate complexes with specific bond angles and distances in accord with previous studies, while the next-nearest-neighbor cation-cation correlations demonstrate a clear preference for unlike cations as nearest-neighbor pairs, emphasizing nonrandom arrangement. Finally, these findings contribute to a comprehensive understanding of the complex local structure of the molten salt, providing insights into temperature-dependent preferences and correlations within the molten system.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Baryon–Antibaryon Photoproduction off the Proton

The GlueX Experiment at Jefferson Lab uses linearly polarized photon beam to study the photoproduction of light mesons and baryons off a proton target with unprecedented precision. We have observed p¯p photoproduction and, for the first time, ?¯? photoproduction from thresholds up to E = 11.6 GeV. We reproduce the observed kinematic distributions with a phenomenological model that includes t-channel Regge exchange and double Regge exchange. The model uses few parameters to match all the kinematic spectra via an optimization algorithm developed specifically for this purpose. We report the total cross sections of the two reactions, as well as differential cross sections with respect to various momentum transfers and invariant mass spectra of p¯p, ?¯?, p¯? systems which show enhancements right above production thresholds. Furthermore, the beam asymmetries of the p¯p system are extracted from the GlueX data to further probe the nature of the t-channel Regge exchanges. We also report preliminary measurements of the spin polarizations of the individual hyperons. No prominent resonance structure was found in these reaction channels, but the angular distributions and the correlation of longitudinal momenta indicate the existence of multiple production mechanisms. Besides a dominant forward peak in the polar angle of the baryon-antibaryon pair in t-channel production, we see wide-angle antibaryon distributions different from that of the baryon. In the hyperon channel, we see a clear separation between the photoproduction of the ?¯?, p¯? systems.

Li, Hao↗
DOE OSTI2023

First measurement of prompt and non-prompt D* + vector meson spin alignment in pp collisions at $\sqrt{s}$ = 13 TeV

This letter reports the first measurement of spin alignment, with respect to the helicity axis, for D* + vector mesons and their charge conjugates from charm-quark hadronisation (prompt) and from beauty meson decays (non-prompt) in hadron collisions. The measurements were performed at midrapidity (|y| < 0.8) as a function of transverse momentum (p T ) in proton–proton (pp) collisions collected by ALICE at the centre-of-mass energy $\sqrt{s}$ = 13 TeV. The diagonal spin density matrix element $ρ$00 of D* + mesons was measured from the angular distribution of the D* + → D 0 (→ K - π + )π + decay products, in the D* + rest frame, with respect to the D* + momentum direction in the pp centre of mass frame. The $ρ$00 value for prompt D* + mesons is consistent with 1/3, which implies no spin alignment. However, for non prompt D* + mesons an evidence of $ρ$00 larger than 1/3 is found. The measured value of the spin density element is $ρ$00 = 0.455±0.022(stat.)±0.035(syst.) in the 5 < p T < 20 GeV/c interval, which is consistent with a Pythia 8 Monte Carlo simulation coupled with the EvtGen package, which implements the helicity conservation in the decay of D* + meson from beauty mesons. In non-central heavy-ion collisions, the spin of the D* + mesons may be globally aligned with the direction of the initial angular momentum and magnetic field. Based on the results for pp collisions reported in this letter it is shown that alignment of non-prompt D* + mesons due to the helicity conservation coupled to the collective anisotropic expansion may mimic the signal of global spin alignment in heavy-ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Fission with Exotic Nuclei (Abbreviated Report)

Nuclear fission is a key mechanism involved in the synthesis of heavy elements in the Cosmos and is the primary explanation for the stability of superheavy elements. Nevertheless, our knowledge of fission remains extremely fragmented. Most experiments have been conducted only on a tiny number of stable actinide nuclei and are often incomplete, leading to gaps in our basic understanding of the process. For many radioactive isotopes, basic fission data such as the charge or mass distribution of the fragments is unknown. These gaps cannot always be filled by simulation alone. Common fission models contain too many free parameters and lack predictive power. In contrast, the fundamental theory of fission under development at LLNL is much more predictive, but its current computational cost is too high to be used extensively for data evaluations. A unique window of opportunity to resolve these limitations has recently opened: the U.S. nuclear science community is ramping up major experimental programs at the Facility for Rare Isotope Beams (FRIB, the DOE flagship facility in low-energy nuclear science), and techniques from machine learning have shown great potential to simplify the use of a fundamental, quantum-mechanical theory of fission. This project has two components. On the experimental side, we acquired and deployed at the HIGS facility a new dual Frisch-Grid ionization chamber to measure correlated fragment-mass, kinetic energy, and angular distributions of fission fragments from induced fission. This new device was used to perform measurements of charge, mass and total kinetic energy of fission fragments in the photofission of 238 U and eight gamma-ray beam energies between 6.2 and 13 MeV, which allowed extracting high-precision independent yields for this reaction. The device was also used to perform measurements of the same quantities in the neutron-induced fission of 234 U with monoenergetic beams of energy between 5 and 8 MeV. In parallel, we collaborated with a team at Commissariat à l’énergie atomique et aux énergies alternatives (CEA) to perform a series of measurements of fission yields in inverse kinematics for the two isotopes of 236 U and 240 Pu. The experiment took place at the Grand Accélérateur National d’Ions Lourds in France in June 2023. The deployment of the VAMOS spectrometer with a new array called PISTA allowed determining the excitation energy of the fissioning system within 1 Mega-electronvolts. The second component of the project involved using deep neural networks to build fast and reliable emulators of our current fission models. In an invited paper published in Frontier in Physics, we showed that autoencoders could successfully compress nuclear wavefunctions in nuclear density functional theory. We achieved a dimensionality reduction of the order of two orders of magnitude while keeping the error in the total energy to less than 0.01%. In a second paper submitted to Physical Review Letters in June 2023 with our collaborators at CEA, we showed that variational autoencoders can learn the collective degrees of freedom driving the fission process.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Application of recoil-imaging time projection chambers to directional neutron background measurements in the SuperKEKB accelerator tunnel

Gaseous time projection chambers (TPCs) with high readout segmentation are capable of reconstructing detailed 3D ionization distributions of nuclear recoils resulting from elastic neutron scattering. Here, using a system of six compact TPCs with pixel ASIC readout, filled with a 70:30 mixture of He:CO 2 gas, we analyze the first directional measurements of beam-induced neutron backgrounds in the tunnel regions surrounding the Belle II detector at the SuperKEKB e + e – collider. With the use of 3D recoil tracking, we show that these TPCs are capable of maintaining nearly 100% nuclear recoil purity to reconstructed ionization energies (E reco ) as low as 5 keV ee . Using a large sample of Monte-Carlo (MC)-simulated 4 He, 12 C, and 16 O recoil tracks, we find consistency between predicted and measured recoil energy spectra in five of the six TPCs, providing useful validation of the neutron production mechanisms modeled in simulation. Restricting this sample to 4 He recoil tracks with E reco > 40 keV ee , we further demonstrate axial angular resolutions within 8° and we introduce a procedure that under suitable conditions, correctly assigns the vector direction to 91% of these simulated 4 He recoils. Applying this procedure to assign vector directions to measured 4 He recoil tracks, we observe consistency between the angular distributions of observed and simulated recoils, providing first experimental evidence of localized neutron “hotspots” in the accelerator tunnel. Observed rates of nuclear recoils in these TPCs suggest that simulation overestimates the neutron flux from these hotspots. Despite this, we estimate these hotspots to produce the majority of neutron backgrounds in the accelerator tunnel at SuperKEKB’s target luminosity of 6.3 x 10 35 cm –2 s –1 , making them important regions to continue to monitor.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Cross-correlating radial peculiar velocities and CMB lensing convergence

We study, for the first time, the cross correlation between the angular distribution of radial peculiar velocities (PV) and the lensing convergence of cosmic microwave background (CMB) photons. We derive theoretical expectations for the signal and its covariance and assess its detectability with existing and forthcoming surveys. We find that such cross-correlations are expected to improve constraints on different gravitational models by partially breaking degeneracies with the matter density. We identify in the distance-scaling dispersion of the peculiar velocities the most relevant source of noise in the cross correlation. For this reason, we also study how the above picture changes assuming a redshift-independent scatter for the PV, obtained for example using a reconstruction technique. Our results show that the cross correlation might be detected in the near future combining PV measurements from DESI and the convergence map from CMB-S4. Using realistic direct PV measurements we predict a cumulative signal-to-noise ratio of approximately 3.8σ using data on angular scales 3 ≤ ℓ ≤ 200. For an idealized reconstructed peculiar velocity map extending up to redshift z = 0.15 and a smoothing scale of 4 Mpc h -1 we predict a cumulative signal-to-noise ratio of approximately 27σ from angular scales 3 ≤ ℓ ≤ 200. We conclude that currently reconstructed peculiar velocities have more constraining power than directly observed ones, even though they are more cosmological-model dependent.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

General guide concepts for compact, high-brilliance neutron moderators

The trend in neutron sciences is toward integrating compact, high-brightness moderators into new or upgraded facilities. Transporting neutrons from the source to the sample position with a phase-space distribution tailored to specific requirements is crucial to leverage high source brilliance. Here we have investigated four guide concepts using Monte Carlo ray tracing simulations: Montel beamline with nested Kirkpatrick–Baez mirrors, curved-tapered beamline with a bender and straight sections, straight-elliptical beamline, and curved-elliptical beamline. The straight-elliptical (curved-elliptical) beamline features two half-ellipse guides connected by a straight (non-straight) guide section. The neutron transport efficiency and phase space homogeneity have been quantitatively compared. Our results show that the straight-elliptical beamline performs best because of few neutron bounces on the guide surface with small reflection angles, minimizing flux loss. The Montel beamline provides the best spatial confinement of neutrons within the desired region; however, there is a high thermal-neutron loss due to large reflection angles. The curved-tapered beamline suffers from significant flux loss due to high bounces, and it shows a non-uniform angular distribution related to broad ranges of bounces and reflection angles. The non-straight guide section of the curved-elliptical beamline increases the phase space inhomogeneity, leading to a spatially non-uniform beam profile. The results apply to general neutron instruments that require transporting thermal and cold neutrons from a compact, high-brilliance moderator to the sample location with a moderate phase-space volume.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

The ezSpectra suite: An easy‐to‐use toolkit for spectroscopy modeling

Abstract A molecule's spectrum encodes information about its structure and electronic properties. It is a unique fingerprint that can serve as a molecular ID. Quantum chemistry calculations provide key ingredients for interpreting spectra, but modeling the spectra rarely ends there; it requires additional steps that entail combined treatments of electronic and nuclear degrees of freedom and account for specifics of the experimental setup (light energy, polarization, averaging over molecular orientations, temperature, etc.). This Software Focus article describes the ezSpectra suite, which currently comprises two stand‐alone open‐source codes: ezFCF and ezDyson . ezFCF calculates Franck–Condon factors, which yield vibrational progressions for polyatomic molecules, within the double‐harmonic approximation. ezDyson calculates absolute cross‐sections for photodetachment/photoionization processes and photoelectron angular distributions using Dyson orbitals computed by a quantum chemistry program. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods Theoretical and Physical Chemistry > Spectroscopy Software > Simulation Methods

Gozem, Samer↗
DOE OSTI2020

Measurement of top quark pair production in association with a Z boson in proton-proton collisions at s$$ \sqrt{\mathrm{s}} $$ = 13 TeV

A measurement of the inclusive cross section of top quark pair production in association with a Z boson using proton-proton collisions at a center-of-mass energy of 13 TeV at the LHC is performed. The data sample corresponds to an integrated luminosity of 77.5 fb$^{-1}$, collected by the CMS experiment during 2016 and 2017. The measurement is performed using final states containing three or four charged leptons (electrons or muons), and the Z boson is detected through its decay to an oppositely charged lepton pair. The production cross section is measured to be σ($ \mathrm{t}\overline{\mathrm{t}}\mathrm{Z} $) = 0.95 ± 0.05 (stat) ± 0.06 (syst) pb. For the first time, differential cross sections are measured as functions of the transverse momentum of the Z boson and the angular distribution of the negatively charged lepton from the Z boson decay. The most stringent direct limits to date on the anomalous couplings of the top quark to the Z boson are presented, including constraints on the Wilson coefficients in the framework of the standard model effective field theory.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Angular analysis of the decay B$^+$ $\to$ K$^*$(892)$^+\mu^+\mu^-$ in proton-proton collisions at $\sqrt{s} =$ 8 TeV

Angular distributions of the decay B$^{+}$→ K$^{∗}$(892)$^{+}$μ$^{+}$μ$^{−}$ are studied using events collected with the CMS detector in $ \sqrt{\mathrm{s}} $ = 8 TeV proton-proton collisions at the LHC, corresponding to an integrated luminosity of 20.0 fb$^{−1}$. The forward-backward asymmetry of the muons and the longitudinal polarization of the K$^{∗}$(892)$^{+}$ meson are determined as a function of the square of the dimuon invariant mass. These are the first results from this exclusive decay mode and are in agreement with a standard model prediction.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗