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At least 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Diffuse scattering from correlated electron systems

The role of inhomegeneity in determining the properties of correlated electron systems is poorly understood because of the dearth of structural probes of disorder at the nanoscale. Advances in both neutron and x-ray scattering instrumentation now allow comprehensive measurements of diffuse scattering in single crystals over large volumes of reciprocal space, enabling structural correlations to be characterized over a range of length scales from 5 to 200 angstroms or more. When combined with new analysis tools, such as three-dimensional difference pair-distribution functions, these advanced capabilities have produced fresh insights into the interplay of structural fluctuations and electronic properties in a broad range of correlated electron materials. This review describes recent investigations that have demonstrated the importance of understanding structural inhomogeneity pertaining to phenomena as diverse as superconductivity, charge density wave modulations, metal-insulator transitions, and multipolar interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Genome Streamlining, Proteorhodopsin, and Organic Nitrogen Metabolism in Freshwater Nitrifiers

Microbial nitrification is a critical process governing nitrogen availability in aquatic systems. Freshwater nitrifiers have received little attention, leaving many unanswered questions about their taxonomic distribution, functional potential, and ecological interactions. Here, we reconstructed genomes to infer the metabolism and ecology of free-living picoplanktonic nitrifiers across the Laurentian Great Lakes, a connected series of five of Earth’s largest lakes. Surprisingly, ammonia-oxidizing bacteria (AOB) related to Nitrosospira dominated over ammonia-oxidizing archaea (AOA) at nearly all stations, with distinct ecotypes prevailing in the transparent, oligotrophic upper lakes compared to Lakes Erie and Ontario. Unexpectedly, one ecotype of Nitrosospira encodes proteorhodopsin, which could enhance survival under conditions where ammonia oxidation is inhibited or substrate limited. Nitrite-oxidizing bacteria (NOB) “Candidatus Nitrotoga” and Nitrospira fluctuated in dominance, with the latter prevailing in deeper, less-productive basins. Genome reconstructions reveal highly reduced genomes and features consistent with genome streamlining, along with diverse adaptations to sunlight and oxidative stress and widespread capacity for organic nitrogen use. Our findings expand the known functional diversity of nitrifiers and establish their ecological genomics in large lake ecosystems. By elucidating links between microbial biodiversity and biogeochemical cycling, our work also informs ecosystem models of the Laurentian Great Lakes, a critical freshwater resource experiencing rapid environmental change.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

PVEMC: isolating the flavor-dependent EMC effect using parity-violating inelastic scattering in SoLID

In order to better understand the EMC effect, we propose a clean and precise measurement of the flavor dependence of the EMC effect using parity-violating deep inelastic scattering on a 48 Ca target. This measurement will provide an extremely sensitive test for flavor dependence in the modification of nuclear parton distribution functions (PDFs) for neutron-rich nuclei. A measurement of the flavor dependence will provide new and vital information and help to explain nucleon modification at the quark level. In addition to helping understand the origin of the EMC effect, a flavor-dependent nuclear pdf modification could significantly impact a range of processes, including neutrino-nucleus scattering, nuclear Drell-Yan processes, and e-A observables at the Electron-Ion Collider. The parity-violating asymmetry A PV from 48 Ca using an 11 GeV beam at 80 μA will be measured using the SoLID detector, proposed for a series of measurements in Hall A at Jefferson Lab. In 68 days of data taking, we will reach 0.7–1.3% statistical precision for 0.2 < x < 0.7 with 0.6–0.7 systematic uncertainties. Here, the goal is to make the first direct measurement of the flavor dependence of the EMC effect. The precision of the measurement will allow for quantification of the flavor-dependent effects, greatly improving our ability to differentiate between models of the EMC effect and constraining the u- and d-quark contributions in neutron rich nuclei.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Stochastic mean-field theory and applications to multinucleon transfer and kinetic energy dissipation processes in heavy-ion collisions

In this Review article, a brief description of the stochastic mean-field (SMF) theory for describing reaction dynamics in low-energy heavy-ion collisions at bombarding energies in the vicinity of the Coulomb barrier is presented. In these collisions, as a result of strong Pauli blocking, binary nucleon collisions do not have a significant effect on the dissipation and fluctuations. At low energies, the mean-field fluctuations, due to initial correlations, have a dominant effect on fluctuations of macroscopic variables. The SMF theory proposes the determination of an ensemble of single-particle density matrices by specifying random initial fluctuations according to a distribution law. Employing an ensemble of single-particle density matrices, not only the mean values but also the distribution functions of the one-body observables can be determined. If the di-nuclear structure is maintained in heavy-ion collisions, such as deep inelastic collisions and fast quasi-fission reactions, a much simpler description of the reaction mechanism can be derived in terms of several macroscopic variables such as mass and charge asymmetry, and relative linear and relative angular momentum. In this case, by geometric projection of the SMF equations, it is possible to derive the quantal Langevin equations for macroscopic variables. As an application of quantal transport description, an analysis of multinucleon transfers and kinetic energy dissipation and fluctuations is presented for selected quasi-fission reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Extraction and validation of a new set of CMS pythia8 tunes from underlying-event measurements

New sets of CMS underlying-event parameters ("tunes") are presented for the PYTHIA8 event generator. These tunes use the NNPDF3.1 parton distribution functions (PDFs) at leading (LO), next-to-leading (NLO), or next-to-next-to-leading (NNLO) orders in perturbative quantum chromodynamics, and the strong coupling evolution at LO or NLO. Measurements of charged-particle multiplicity and transverse momentum densities at various hadron collision energies are fit simultaneously to determine the parameters of the tunes. Comparisons of the predictions of the new tunes are provided for observables sensitive to the event shapes at LEP, global underlying event, soft multiparton interactions, and double-parton scattering contributions. In addition, comparisons are made for observables measured in various specific processes, such as multijet, Drell-Yan, and top quark-antiquark pair production including jet substructure observables. The simulation of the underlying event provided by the new tunes is interfaced to a higher-order matrix-element calculation. For the first time, predictions from PYTHIA8 obtained with tunes based on NLO or NNLO PDFs are shown to reliably describe minimum-bias and underlying-event data with a similar level of agreement to predictions from tunes using LO PDF sets.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Development and validation of HERWIG 7 tunes from CMS underlying-event measurements

This paper presents new sets of parameters (“tunes”) for the underlying-event model of the ${\textsc {herwig}} \,7$ event generator. These parameters control the description of multiple-parton interactions (MPI) and colour reconnection in ${\textsc {herwig}} \,7$, and are obtained from a fit to minimum-bias data collected by the CMS experiment at $\sqrt{s}=0.9$, 7, and $13 \,\text {Te}\text {V} $. The tunes are based on the NNPDF 3.1 next-to-next-to-leading-order parton distribution function (PDF) set for the parton shower, and either a leading-order or next-to-next-to-leading-order PDF set for the simulation of MPI and the beam remnants. Predictions utilizing the tunes are produced for event shape observables in electron-positron collisions, and for minimum-bias, inclusive jet, top quark pair, and Z and W boson events in proton-proton collisions, and are compared with data. Each of the new tunes describes the data at a reasonable level, and the tunes using a leading-order PDF for the simulation of MPI provide the best description of the data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Deuterium scattering experiments in CTEQ global QCD analyses: a comparative investigation

Abstract Experimental measurements in deep-inelastic scattering and lepton-pair production on deuterium targets play an important role in the flavor separation of u and d (anti)quarks in global QCD analyses of the parton distribution functions (PDFs) of the nucleon. We investigate the impact of theoretical corrections accounting for the light-nuclear structure of the deuteron upon the fitted u , d -quark, gluon, and other PDFs in the CJ15 and CT18 families of next-to-leading order CTEQ global analyses. The investigation is done using the $$L_2$$ L 2 sensitivity statistical method, which provides a common metric to quantify the strength of experimental constraints on various PDFs and ratios of PDFs in the two distinct fitting frameworks. Using the $$L_2$$ L 2 sensitivity and other approaches, we examine the compatibility of deuteron data sets with other fitted experiments under varied implementations of the deuteron corrections. We find that freely-fitted deuteron corrections modify the PDF uncertainty at large momentum fractions and will be relevant for future PDFs affecting electroweak precision measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Impact of jet-production data on the next-to-next-to-leading-order determination of HERAPDF2.0 parton distributions

The HERAPDF2.0 ensemble of parton distribution functions (PDFs) was introduced in 2015. The final stage is presented, a next-to-next-to-leading-order (NNLO) analysis of the HERA data on inclusive deep inelastic ep scattering together with jet data as published by the H1 and ZEUS collaborations. A perturbative QCD fit, simultaneously of $\alpha _s(M_Z^2)$ and the PDFs, was performed with the result $\alpha _s(M_Z^2)= 0.1156 \pm 0.0011~\mathrm{(exp)}~ ^{+0.0001}_{-0.0002}~ \mathrm{(model}$ $\mathrm{+ parameterisation)}~ \pm 0.0029~\mathrm{(scale)}$. The PDF sets of HERAPDF2.0Jets NNLO were determined with separate fits using two fixed values of $\alpha _s(M_Z^2)$, $\alpha _s(M_Z^2)$ = 0.1155 and 0.118, since the latter value was already chosen for the published HERAPDF2.0 NNLO analysis based on HERA inclusive DIS data only. The different sets of PDFs are presented, evaluated and compared. The consistency of the PDFs determined with and without the jet data demonstrates the consistency of HERA inclusive and jet-production cross-section data. The inclusion of the jet data reduced the uncertainty on the gluon PDF. Predictions based on the PDFs of HERAPDF2.0Jets NNLO give an excellent description of the jet-production data used as input.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Resolved photons in S HERPA

We present the first complete simulation framework, in the SHERPA event generator, for resolved photon interactions at next-to leading order accuracy. It includes photon spectra obtained through the equivalent-photon approximation, parton distribution functions to parametrize the hadronic structure of quasi-real photons, the matching of the parton shower to next-to leading order QCD calculations for resolved photon cross sections, and the modelling of multiple-parton interactions. We validate our framework against a wide range of photo-production data from LEP and HERPA experiments, observing good overall agreement. We identify important future steps relevant for high-quality simulations at the planned Electron–Ion Collider.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Measurement of multijet azimuthal correlations and determination of the strong coupling in proton-proton collisions at $\sqrt{s}=13\,\text {Te}\hspace{-.08em}\text {V} $

A measurement is presented of a ratio observable that provides a measure of the azimuthal correlations among jets with large transverse momentum $p_{\textrm{T}}$. This observable is measured in multijet events over the range of $p_{\textrm{T}} = 360$–$3170\,\text {Ge}\hspace{-.08em}\text {V} $ based on data collected by the CMS experiment in proton-proton collisions at a centre-of-mass energy of 13$\,\text {Te}\hspace{-.08em}\text {V}$, corresponding to an integrated luminosity of 134$\,\text {fb}^{-1}$. The results are compared with predictions from Monte Carlo parton-shower event generator simulations, as well as with fixed-order perturbative quantum chromodynamics (pQCD) predictions at next-to-leading-order (NLO) accuracy obtained with different parton distribution functions (PDFs) and corrected for nonperturbative and electroweak effects. Data and theory agree within uncertainties. From the comparison of the measured observable with the pQCD prediction obtained with the NNPDF3.1 NLO PDFs, the strong coupling at the Z boson mass scale is $\alpha _\textrm{S} (m_{{\textrm{Z}}}) =0.1177 \pm 0.0013\, \text {(exp)} _{-0.0073}^{+0.0116} \,\text {(theo)} = 0.1177_{-0.0074}^{+0.0117}$, where the total uncertainty is dominated by the scale dependence of the fixed-order predictions. A test of the running of $\alpha _\textrm{S}$ in the $\,\text {Te}\hspace{-.08em}\text {V}$ region shows no deviation from the expected NLO pQCD behaviour.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Analytic solutions of the DGLAP evolution and theoretical uncertainties

The energy dependence for the singlet sector of Parton Distributions Functions (PDFs) is described by an entangled pair of ordinary linear differential equations. Although there are no exact analytic solutions, it is possible to provide approximated results depending on the assumptions and the methodology adopted. These results differ in their sub-leading, neglected terms and ultimately they are associated with different treatments of the theoretical uncertainties. In this work, a novel analytic approach in Mellin space is presented and a new methodology for obtaining closed and exponentiated analytic solutions is devised. Different results for the DGLAP evolution at Next-Leading-Order are compared, discussing advantages and disadvantages for each solution. The generalizations to higher orders are addressed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Measurement of the W-boson mass and width with the ATLAS detector using proton–proton collisions at $\sqrt{s}=7$ TeV

Proton-proton collision data recorded by the ATLAS detector in 2011, at a centre-of-mass energy of 7 TeV, have been used for an improved determination of the W-boson mass and a first measurement of the W-boson width at the LHC. Recent fits to the proton parton distribution functions are incorporated in the measurement procedure and an improved statistical method is used to increase the measurement precision. The measurement of the W-boson mass yields a value of m w = 80,366.5 ± 9.8 (stat.) ± 12.5 (syst.) MeV = 80,366.5 ± 15.9 MeV, and the width is measured as Γ w = 2202 ± 32 (stat.) ± 34 (syst.) MeV = 2202 ± 47 MeV. The first uncertainty components are statistical and the second correspond to the experimental and physics-modelling systematic uncertainties. Both results are consistent with the expectation from fits to electroweak precision data. The present measurement of m w is compatible with and supersedes the previous measurement performed using the same data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Charm fragmentation fractions and $\mathbf {c\overline{c}}$ cross section in p–Pb collisions at $\mathbf {\sqrt{s _{NN}}=5.02 TeV}$

The total charm-quark production cross section per unit of rapidity dσ($\mathbf {c\overline{c}}$)/dy, and the fragmentation fractions of charm quarks to different charm-hadron species f(c → h c ), are measured for the first time in p–Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV at midrapidity (–0.96 < y < 0.04 in the centre-of-mass frame) using data collected by ALICE at the CERN LHC. The results are obtained based on all the available measurements of prompt production of ground-state charm-hadron species: D 0 , D + , D$^{+}_{s}$, and J/ψ mesons, and Λ$^{+}_{c}$ and $Ξ$$^{0}_{c}$ baryons. The resulting cross section is dσ($\mathbf {c\overline{c}}$)/dy = 219.6 ± 6.3 (stat.) $^{+10.5}_{–11.8}$ (syst.) $^{+8.3}_{–2.9}$ (extr.) ± 5.4 (BR) ± 4.6 (lumi.) ± 19.5 (rapidity shape) + 15.0 (Ω$^{0}_{c}$) mb, which is consistent with a binary scaling of pQCD calculations from pp collisions. The measured fragmentation fractions are compatible with those measured in pp collisions at $\sqrt{s_{NN}}$ = 5.02 and 13 TeV, showing an increase in the relative production rates of charm baryons with respect to charm mesons in pp and p–Pb collisions compared with e + e – and e – p collisions. The p T -integrated nuclear modification factor of charm quarks, R pPb ($\mathbf {c\overline{c}}$) = 0.91 ± 0.04 (stat.) $^{+0.08}_{–0.09}$ (syst.) $^{+0.05}_{–0.03}$ (extr.) ± 0.03 (lumi.), is found to be consistent with unity and with theoretical predictions including nuclear modifications of the parton distribution functions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Measurement of isolated prompt photon production in pp and p–Pb collisions at the LHC

This paper presents the measurement of the isolated prompt photon inclusive production cross section in pp and p–Pb collisions by the ALICE Collaboration at the LHC. The measurement is performed in p–Pb collisions at centre-of-mass energies per nucleon pair of $\sqrt{s_{NN}}$ = 5.02 Te and 8.16 TeV, as well as in pp collisions at $\sqrt{s}$ = 5.02 TeV and 8 TeV. The cross section is obtained at midrapidity (|γ| < 0.7) using a charged-track based isolation momentum p$^{iso,~ch}_{T}$ < 1.5 GeV/c in a cone with radius R = 0.4. The data for both collision systems are well reproduced by perturbative QCD (pQCD) calculations at next-to-leading order (NLO) using recent parton distribution functions for free (PDF) and bound (nPDF) nucleons. Furthermore, the nuclear modification factor R pA for both collision energies is consistent with unity for p T > 20 GeV/c. However, deviations from unity (R pA < 1) of up to 20% are observed for p T < 20 GeV/c with limited significance, indicating the possible presence of nuclear effects in the initial state of the collision.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

New results in the CTEQ-TEA global analysis of parton distributions in the nucleon

This report summarizes the latest developments in the CTEQ-TEA global analysis of parton distribution functions (PDFs) in the nucleon. The focus is on recent NNLO fits to high-precision LHC data at 8 and 13 TeV, including Drell–Yan, jet, and top-quark pair production, pursued on the way toward the release of the new generation of CTEQ-TEA general-purpose PDFs. The report also discusses advancements in statistical and numerical methods for PDF determination and uncertainty quantification, highlighting the importance of robust and replicable uncertainties for high-stakes observables. Additionally, it covers phenomenological studies related to PDF determination, such as the interplay of experimental constraints, exploration of correlations between high-x nucleon sea and low-energy parity-violating measurements, fitted charm in the nucleon, the photon PDF in the neutron, and simultaneous SMEFT-PDF analyses.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Exploring Li-Ion Transport Properties of Li 3 TiCl 6 : A Machine Learning Molecular Dynamics Study

We performed large-scale molecular dynamics simulations based on a machine-learning force field (MLFF) to investigate the Li-ion transport mechanism in cation-disordered Li 3 TiCl 6 cathode at six different temperatures, ranging from 25°C to 100°C. In this work, deep neural network method and data generated by ab − initio molecular dynamics (AIMD) simulations were deployed to build a high-fidelity MLFF. Radial distribution functions, Li-ion mean square displacements (MSD), diffusion coefficients, ionic conductivity, activation energy, and crystallographic direction-dependent migration barriers were calculated and compared with corresponding AIMD and experimental data to benchmark the accuracy of the MLFF. From MSD analysis, we captured both the self and distinct parts of Li-ion dynamics. The latter reveals that the Li-ions are involved in anti-correlation motion that was rarely reported for solid-state materials. Similarly, the self and distinct parts of Li-ion dynamics were used to determine Haven’s ratio to describe the Li-ion transport mechanism in Li 3 TiCl 6 . Obtained trajectory from molecular dynamics infers that the Li-ion transportation is mainly through interstitial hopping which was confirmed by intra- and inter-layer Li-ion displacement with respect to simulation time. Ionic conductivity (1.06 mS/cm) and activation energy (0.29eV) calculated by our simulation are highly comparable with that of experimental values. Overall, the combination of machine-learning methods and AIMD simulations explains the intricate electrochemical properties of the Li 3 TiCl 6 cathode with remarkably reduced computational time. Thus, our work strongly suggests that the deep neural network-based MLFF could be a promising method for large-scale complex materials.

Selvaraj, Selva Chandrasekaran (ORCID:000000029023↗
DOE OSTI2020

Simulating pitch angle scattering using an explicitly solvable energy-conserving algorithm

Particle distribution functions evolving under the Lorentz operator can be simulated with the Langevin equation for pitch angle scattering. This approach is frequently used in particle based Monte-Carlo simulations of plasma collisions, among others. However, most numerical treatments do not guarantee energy conservation, which may lead to unphysical artifacts such as numerical heating and spectra distortions. We present a novel structure-preserving numerical algorithm for the Langevin equation for pitch angle scattering. Similar to the well-known Boris algorithm, the proposed numerical scheme takes advantage of the structure-preserving properties of the Cayley transform when calculating the velocity-space rotations. The resulting algorithm is explicitly solvable, while preserving the norm of velocities down to machine precision. We demonstrate that the method has the same order of numerical convergence as the traditional stochastic Euler-Maruyama method.

Zhang, Xin↗
DOE OSTI2021

Observation of synergy between lower hybrid waves at two frequencies in EAST

Synergistic effects between two frequencies of lower hybrid (LH) waves—operating at 2.45 and 4.6 GHz—were observed in experiment on EAST for the first time. At low density (n_e,lin ≈ 2.0 × 10^19m^−3), simultaneous injection of a 65/35 mix of 2.45 GHz/4.6 GHz power achieved an LHCD efficiency that was 25% higher than what should be expected from the linear combination of the two sources. The experiment was interpreted with time-dependent simulations, using the equilibrium and transport solver TRANSP, coupled with the ray-tracing code GENRAY and the Fokker-Planck solver CQL3D. For each discharge, profiles of current and hard x-ray from simulation and measurement agree within uncertainties. An examination of the electron distribution function indicates that the LH synergy is supported by the increased width of the LH resonance plateau in the simultaneous injection case compared to independent injection.

Lower hybrid synergy↗