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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Velocity-space distribution function of fast ions in a sawtoothing plasma

This study explores the influence of sawtooth oscillations on the velocity space distribution of fast ions in tokamak plasma discharges. The relevant Fokker–Planck equation for fast ions is solved analytically. Two distinct effects arising from the temperature drop associated with a sawtooth crash and their impact on the distribution function of fast ions are considered. The first effect involves the modulation of the fusion alpha particle source on the timescale of the sawtooth period, linked to the drop in fusion yield resulting from the sawtooth temperature relaxations. The second effect is tied to the increase of the slowing-down time during the sawtooth ramp, causing particles born later in the sawtooth cycle to experience reduced slowing down compared to those born right after the crash, creating an accumulation-like mechanism at higher energies. In regimes where the sawtooth period is shorter than the fast ion slowing-down time, the combined influence of these effects gives rise to fast ion distribution functions that transiently exhibit positive slopes in velocity space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film

An approach is described for studying texture in nanostructured materials. The approach implements the real-space texture pair distribution function (PDF), txPDF, laid out by Gong & Billinge {(2018). arXiv:1805.10342 [cond-mat]}. It is demonstrated on a fiber-textured polycrystalline Pt thin film. The approach uses 3D PDF methods to reconstruct the orientation distribution function of the powder crystallites from a set of diffraction patterns, taken at different tilt angles of the substrate with respect to the incident beam, directly from the 3D PDF of the sample. A real-space equivalent of the reciprocal-space pole figure is defined in terms of interatomic vectors in the PDF and computed for various interatomic vectors in the Pt film. Furthermore, it is shown how a valid isotropic PDF may be obtained from a weighted average over the tilt series, including the measurement conditions for the best approximant to the isotropic PDF from a single exposure, which for the case of the fiber-textured film was in a nearly grazing incidence orientation of ∼10°. Finally, an open-source Python software package, FouriGUI , is described that may be used to help in studies of texture from 3D reciprocal-space data, and indeed for Fourier transforming and visualizing 3D PDF data in general.

3D pair distribution functions↗
DOE OSTI2026

Gradient Flow for Parton Distribution Functions: First Application to the Pion

Parton distribution functions (PDFs) are central to precision QCD phenomenology. Their Mellin moments can be computed on the lattice, but direct determinations using local operators, besides ⟨𝑥⟩, face severe challenges from reduced hypercubic symmetry, limiting results to the lowest moments. A recently proposed method resolves these issues using gradient flow. We demonstrate the efficacy of this method by computing ratios of flavor nonsinglet pion PDF moments up to ⟨𝑥 5 ⟩ on four lattice spacings at 𝑚 𝜋 ≃ 411 MeV. The moments and reconstructed PDF agree quantitatively with recent phenomenological extractions.

Francis, Anthony [National Yang Ming Chiao Tung Un↗
DOE OSTI2022

Time-resolved ion energy distribution functions during a HiPIMS discharge with cathode voltage reversal

Abstract The effect on the ion energy distribution function (IEDF) of plasma produced during a high-power impulse magnetron sputtering (HiPIMS) discharge as the pulse conditions are varied is reported. Pressure was varied from 0.67–2.00 Pa (5–15 mTorr), positive kick pulses up to 200 V tested with a constant 4 μ s delay between negative and positive cycles. The results demonstrate that the resulting plasma during the positive cathode voltage reversal is the result of expansion through the largely neutral gas species between the end of the magnetic trap of the target and the workpiece. The plasma potential rises on similar time scale with the evolution of a narrow peak in the IEDF close to the applied bias. The peak of the distribution function remains narrow close to the applied bias irrespective of pulse length, and with only slight pressure dependence. One exception discovered is that the IEDF contains a broad high energy tail early in the kick pulse due to acceleration of ions present beyond the trap from the main pulse separate from the ionization front that follows.

Physics↗
DOE OSTI2023

Pair distribution function analysis of nano-object assemblies

The atomic pair distribution function (aPDF) analysis technique, also known as the total scattering method, which considers both Bragg and diffuse scattering, has been used extensively to probe local atomic arrangements in crystalline and disordered materials. In contrast, there have been limited applications of the PDF in self-assembled nanomaterials, which represent a class of materials built from nanoscale objects, such as nano-colloids, micelles and proteins. As distinguished from atoms, nano-objects have polydispersity in size and shape, and such form-factor effects complicate the application of PDF analysis to nano-systems. Here, in this paper, the application of the PDF is extended to spherical nano-object assemblies and the formulae for the nano-PDF (nPDF) are derived, showing some differences from the aPDF. By numerical simulations, the properties of the nPDF (peak broadening and pattern profile) are studied systematically as a function of structural features, such as nano-object parameters (size and size polydispersity) and assembly structural features (size, shape, structure type and lattice disorder), and of data processing parameters ( q cut-off and `missing' data in ultra-small-angle regions). The nPDF analysis method is found to provide an effective route to revealing not only nanoscale but also mesoscale structural properties, for example the morphology of a nano-assembly.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Bimetallic Copper/Ruthenium/Osmium Complexes: Observation of Conformational Differences Between the Solution Phase and Solid State by Atomic Pair Distribution Function Analysis

High-energy X-ray scattering and pair distribution function analysis (HEXS/PDF) is a powerful method to reveal the structure of materials lacking long-range order, but is underutilized for molecular complexes in solution. Here we demonstrate the application of HEXS/PDF with 0.26 Å resolution to uncover the solution structure of five bimetallic Cu I /Ru II /Os II complexes. HEXS/PDF of each complex in acetonitrile solution confirms the pairwise distances in the local coordination sphere of each metal center as well as the metal...metal distances separated by over 12 Å. The metal…metal distance detected in solution is compared with that from the crystal structure and molecular models to confirm that distortions to the metal bridging ligand are unique to the solid state. This work presents the first example of observing sub-Ångström conformational differences by direct comparison of solution phase and solid-state structures and shows the potential for HEXS/PDF in the determination of solution structure of single molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Tomography of the rho meson in the QCD instanton vacuum: Transverse momentum dependent parton distribution functions

We analyze the rho meson unpolarized and polarized transverse momentum dependent parton distribution functions (TMDPDFs) in the instanton liquid model (ILM). The corresponding TMDs in ILM are approximated by a constituent quark beam function in the leading Fock state multiplied by a rapidity-dependent factor resulting from the staple-shaped Wilson lines, for fixed longitudinal momentum, transverse separation, and rapidity. At the resolution of the ILM, all of the rho meson TMDs are symmetric in parton 𝑥 for fixed transverse momentum, and Gaussian-like in the transverse momentum for fixed parton 𝑥. The latter is a direct consequence of the profiling of the quark zero modes in the ILM. The evolved TMDs at higher rapidity using the Collins-Soper kernel, and higher resolution using the renormalization group, show substantial skewness towards low parton 𝑥.

Gluons↗
DOE OSTI2025

Lattice QCD Benchmark of Proton Helicity and Flavor-Dependent Unpolarized Transverse Momentum-Dependent Parton Distribution Functions at Physical Quark Masses

We present the first lattice QCD calculations of the isovector helicity transverse momentum-dependent parton distribution function (TMDPDF) and the flavor-dependent unpolarized TMDPDFs for up and down quarks in the proton. Our computations utilize domain-wall fermion discretization with physical quark masses. Employing Coulomb-gauge-fixed quark correlation functions within the large-momentum effective theory framework, we access nonperturbative transverse quark separations 𝑏 𝑇 up to approximately 1 fm, corresponding to transverse momenta as low as 200 MeV. Based on the quasi-TMD factorization theorem, we construct renormalization-group–invariant ratios that are equal to the corresponding light-cone TMDPDF ratios. At moderate 𝑥, our results reveal that the isovector helicity and unpolarized TMDPDFs exhibit nearly identical transverse structure up to a normalization factor, and the unpolarized distributions display only mild flavor dependence. These findings not only support key trends observed in recent global analyses but also provide robust, nonperturbative constraints that can distinguish between different parameterizations. This Letter establishes a first-principles benchmark for TMDPDFs, offering valuable input for ongoing and future experimental efforts to map the proton’s three-dimensional structure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Measurements of the electron energy distribution function in partially magnetized low temperature plasmas

While Langmuir probes (LPs) are relatively simple and inexpensive plasma diagnostics for the electron density, temperature, and the electron energy distribution function (EEDF), the interpretation of the measured current–voltage (I–V) characteristic is complicated considerably by the presence of a magnetic field. In regimes where the electron gyroradius is comparable to the probe radius, the electron flux to the probe surface is retarded by reduced mobility across field lines and can no longer be described by a thermal model. Predicting the current collected by the probe in these regimes requires accurate estimates of the plasma diffusion coefficients, which are usually difficult to obtain. In this work, we measure electron energy distribution functions in E×B plasmas with magnetized electrons and non-magnetized ions in argon and krypton gases, using both a LP and laser Thomson scattering (LTS) at various magnetic fields. Using the LTS measurements to provide a robust benchmark for comparison, we compare existing theories describing the flux to the probe under magnetized conditions. We find that even when the electron gyroradius associated with the effective electron temperature is small compared to the probe radius, the EEDF computed using classical probe theory is still robust at energies higher than the energy at which the gyroradius becomes larger than the probe size. For plasmas that are not strongly non-Maxwellian, we formulate a method to extract robust density and temperature measurements using physics-informed fitting techniques to analyze EEDFs computed using classical theory.

Devin, E. G. [Princeton Plasma Physics Laboratory ↗
DOE OSTI2022

Local Structure Analysis and Modelling of Lignin‐Based Carbon Composites through the Hierarchical Decomposition of the Radial Distribution Function

Abstract Carbonized lignin has been proposed as a sustainable and domestic source of activated, amorphous, graphitic, and nanostructured carbon for many industrial applications as the structure can be tuned through processing conditions. However, the inherent variability of lignin and its complex physicochemical structure resulting from feedstock and pulping selection make the Process‐Structure‐Property‐Performance (PSPP) relationships hard to define. In this work, radial distribution functions (RDFs) from synchrotron X‐ray and neutron scattering of lignin‐based carbon composites (LBCCs) are investigated using the Hierarchical Decomposition of the Radial Distribution Function (HDRDF) modelling method to characterize the local atomic environment and develop quantitative PSPP relationships. PSPP relationships for LBCCs defined by this work include crystallite size dependence on lignin feedstock as well as increasing crystalline volume fraction, nanoscale composite density, and crystallite size with increasing reduction temperature.

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

Determination of the parton distribution functions of the proton using diverse ATLAS data from pp collisions at $$\sqrt{s} = 7$$, 8 and 13 TeV

This paper presents an analysis at next-to-next-to-leading order in the theory of quantum chromodynamics for the determination of a new set of proton parton distribution functions using diverse measurements in pp collisions at $\sqrt{s}$ = 7, 8 and 13 TeV, performed by the ATLAS experiment at the Large Hadron Collider, together with deep inelastic scattering data from ep collisions at the HERA collider. The ATLAS data sets considered are differential cross-section measurements of inclusive W ± and Z/γ* boson production, W ± and Z boson production in association with jets, $t\bar{t}$ production, inclusive jet production and direct photon production. In the analysis, particular attention is paid to the correlation of systematic uncertainties within and between the various ATLAS data sets and to the impact of model, theoretical and parameterisation uncertainties. The resulting set of parton distribution functions is called ATLASpdf21.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Tomography of pions and kaons in the QCD vacuum: Transverse momentum dependent parton distribution functions

We evaluate the pion and kaon transverse momentum dependent parton distribution functions in the instanton liquid model, a model of the QCD vacuum at low resolution. The relevant transverse momentum distributions (TMDs) are factored into a constituent quark distribution times a rapidity dependent soft factor from staple-shaped Wilson lines, for fixed parton longitudinal momentum and transverse separation. The results are evolved to higher rapidities using the Collins-Soper kernel and higher resolution using renormalization group evolution. The comparison to existing extractions of pion TMDs from Drell-Yan data is briefly discussed.

classical solutions in field theory↗
DOE OSTI2021

Bimetallic Copper/Ruthenium/Osmium Complexes: Observation of Conformational Differences Between the Solution Phase and Solid State by Atomic Pair Distribution Function Analysis

Abstract High‐energy X‐ray scattering and pair distribution function analysis (HEXS/PDF) is a powerful method to reveal the structure of materials lacking long‐range order, but is underutilized for molecular complexes in solution. We demonstrate the application of HEXS/PDF with 0.26 Å resolution to uncover the solution structure of five bimetallic Cu I /Ru II /Os II complexes. HEXS/PDF of each complex in acetonitrile solution confirms the pairwise distances in the local coordination sphere of each metal center as well as the metal⋅⋅⋅metal distances separated by over 12 Å. The metal⋅⋅⋅metal distance detected in solution is compared with that from the crystal structure and molecular models to confirm that distortions to the metal bridging ligand are unique to the solid state. This work presents the first example of observing sub‐Ångström conformational differences by direct comparison of solution phase and solid‐state structures and shows the potential for HEXS/PDF in the determination of solution structure of single molecules.

Xie, Zhu‐Lin↗
DOE OSTI2026

Moments of parton distribution functions of the pion from lattice QCD using gradient flow

We present a nonperturbative determination of the pion valence parton distribution function (PDF) moment ratios ⟨𝑥 𝑛−1 ⟩/⟨𝑥⟩ up to 𝑛 = 6, using the gradient flow in lattice quantum chromodynamics (QCD). As a testing ground, we employ SU(3) isosymmetric gauge configurations generated by the OpenLat initiative with a pseudoscalar mass of 𝑚 𝜋 ≃ 411 MeV. Our analysis uses four lattice spacings and a nonperturbatively improved action, enabling full control over the continuum extrapolation, and the limit of vanishing flow time, 𝑡 →0. The flowed ratios exhibit O(𝑎 2 ) scaling across the ensembles, and the continuum-extrapolated results, matched to the $\overline{MS}$ scheme at 𝜇 = 2 GeV using next-to-next-to-leading order matching coefficients, show only mild residual flow-time dependence. The resulting ratios, computed with a relatively small number of configurations, are consistent with phenomenological expectations for the pion’s valence distribution, with statistical uncertainties that are competitive with modern global fits. These findings demonstrate that the gradient flow provides an efficient and systematically improvable method to access partonic quantities from first principles. Future extensions of this work will target lighter pion masses toward the physical point, and applications to nucleon structure such as the proton PDFs and the gluon and sea-quark distributions.

lattice QCD↗
DOE OSTI2022

Defect Structure in Quantum-Cutting Yb3+-Doped CsPbCl3 Perovskites Probed by X-Ray Absorption and Atomic Pair Distribution Function Analysis

Ytterbium-doping in all-inorganic lead-halide perovskites (CsPb(Cl1-xBrx)3) generates novel properties including quantum cutting and narrow line emission, making these materials attractive spectral down-converters for solar photovoltaics. The relationship between this optical efficiency and the defect structure(s) associated with Yb3+ dopants within perovskites is not well understood. Various charge-neutral doping motifs have previously been proposed and studied computationally, including clusters involving two substitutional Yb3+ ions charge-compensated by a single local Pb2+ vacancy. Near-band-edge defect states associated with such motifs are believed to play an important mechanistic role in quantum cutting itself. Here, we report the results of X-ray absorption and X-ray total-scattering measurements on ytterbium-doped CsPbCl3. XANES shows that the dopant oxidation state is exclusively Yb3+, and a combination of Yb L3 and Pb L3 EXAFS shows that this Yb3+ substitutes exclusively at Pb2+ sites, where it adopts a pseudo-octahedral [YbCl6]3- coordination environment. Shell-by-shell fits to the data show a short Yb-Cl bond distance of 2.58 Å compared to the Pb-Cl bond distance of 2.83 Å. We confirm this finding by X-ray pair distribution function analysis, which also shows evidence of additional Pb2+ vacancy formation induced by Yb3+ doping. We evaluate whether this is the primary mechanism of charge compensation using simulated EXAFS and pair distribution function data for several computed defect structures. Together, these results resolve the local dopant structures and charge-compensation mechanisms in lanthanide-doped all-inorganic lead-halide perovskites, and, as such, significantly advance the understanding of structure-function relationships in this important class of materials.

Kluherz, Kyle (ORCID:0000000279865167)↗
DOE OSTI2025

Planar laser-induced fluorescence system for spatiotemporal ion velocity distribution function measurements

In this work, we present a planar laser-induced fluorescence (PLIF) system for measuring two-dimensional (2D), spatiotemporally resolved ion velocity distribution functions (IVDFs). A continuous-wave tunable diode laser produces a laser sheet that irradiates the plasma, and the resulting fluorescence is captured by an intensified CCD (ICCD) camera. Fluorescence images recorded at varying laser wavelengths are converted into 2D IVDFs using the Doppler shift principle. The developed diagnostic is implemented in an electron beam generated E × B plasma with a bulk plasma density of $\sim\!\!{10^{10}}{\text{c}}{{\text{m}}^{ - 3}}$ . The developed diagnostic is validated against a conventional single-point LIF method using photomultiplier tube-based detection, while significantly reducing the total measurement time by the number of spatial positions measured. The time-resolving capability of this diagnostic is tested by oscillating the plasma between two nominal operating modes with different density profiles and triggering the ICCD camera by the externally driven plasma oscillation. The measured 2D IVDF maps reveal several signatures of ion dynamics in this plasma source, including radially outflowing ions across the electric field and anomalous ion heating at the periphery, consistent with recent kinetic simulations and theoretical studies. A possible correlation between these ion kinetic features and rotating spoke structures is discussed.

E×B plasma↗
DOE OSTI2025

Magnetic pair distribution function and half polarized neutron powder diffraction at the HB-2A powder diffractometer

Local magnetic order and anisotropy are often central for understanding fundamental behavior and emergent functional properties in quantum materials and beyond. Advances in neutron powder diffraction experiments and analysis tools now allow for quantitative determination. Here, we demonstrate this here with complementary total neutron scattering and polarized neutron measurements on the HB-2A neutron powder diffractometer at the High Flux Isotope Reactor (HFIR). In recent years, magnetic pair distribution function (mPDF) analysis has emerged as a powerful technique for probing local magnetic spin ordering of magnetic materials. This method can be broadly applied to any magnetic material but is particularly effective for studying systems with short-range magnetic order, such as materials with reduced dimensionality, geometrically frustrated magnets, thermoelectrics, multiferroics, and correlated paramagnets. Magnetic anisotropy often underpins the short-range order adopted. Half-polarized neutron powder diffraction (pNPD) can be used to determine the local susceptibility tensor on the magnetic sites to quantify the magnetic anisotropy. Combining the techniques of mPDF and pNPD can therefore provide valuable insights into local magnetic behavior. A series of measurements optimized for these techniques are presented as exemplar cases focused on frustrated materials where short-range order dominates, these include measurements to ultra-low temperature (<100 mK) not typically accessible for such experiments.

Half polarized neutron scattering↗
DOE OSTI2021

Heating and acceleration of ions with Kappa distribution functions by low‐frequency Alfvén wave

Abstract Heating and acceleration of ions with Kappa distribution functions (with parameter ) in low‐beta plasmas, by a low‐frequency Alfvén wave, is investigated using test‐particle simulations, yielding interesting new results. As long as the Alfvén wave amplitude is sufficiently large, the computed net heating energy of ions becomes independent of the wave frequency and amplitude, always approaching the same value of . The eventual energy of ions is dictated only by the initial ion energy and the ratio of the magnetic field energy density to the plasma density. The heating effect of the Kappa ions increases with . During the heating process, the ions are picked up by the Alfvén wave and pitch angle scattered, forming a quasi‐isotropic spherical shell velocity distribution. The Kappa ions are accelerated in the parallel direction, reaching a bulk flow speed roughly equal to the local Alfvén speed. Higher ‐value in the initial Kappa distribution leads to faster saturation. The above results may explain certain features of the ion heating and acceleration in the solar wind and corona.

Li, Kehua↗