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At least 811 records · Page 45

Imaging interfacial topography with coherent x-ray reflectivity

The use of coherent x-ray reflectivity to image interfaces is illustrated using model calculations for three cases: a thin film, a semi-infinite substrate, and a coherently strained epitaxial thin film. The intensities and phases of the coherent scattering signals are calculated based on a fully atomistic model (where the phases are assumed to have been recovered by a phasing algorithm). Here, we describe the characteristics of the effective density that are obtained by direct inverse Fourier transformation of the complex structure factors, using a window function to define the data range. These effective densities include significant artifacts like oscillations and negative values derived from the finite vertical momentum transfer of the window function. Two approaches are described to extract the surface topography from the effective densities for three-dimensional visualization: (i) multiplying the effective density by a phase factor and (ii) analyzing the data as a hybrid structure factor F(x, Q z ). The explicit surface sensitivity and specificity of measurements is illustrated when the film or substrate Bragg peaks are excluded. These considerations show that images of interfacial topography can be obtained using currently available experimental capabilities with parameters corresponding to epitaxial thin films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Symmetry-driven phonon chirality and transport in one-dimensional and bulk B a 3 N -derived materials

Symmetry and dimensionality are essential factors defining lattice dynamics and conductivity (κ). Here, we critically examine these via ab initio Boltzmann transport applied to single chain and bulk electride Ba 3 N and Ba 3 NX ( X = Sb,Bi). Chiral phonons in one-dimensional chains obey new symmetry-based scattering rules that limit thermal resistance. Weak chain coupling breaks these in the bulk, giving lower κ and large κ anisotropy. Curiously, intercalation of large X atoms binds chains more strongly, reducing the volume, yet gives lower κ and transforms the electronic behavior. As a result, insights developed here can be more generally applied to other materials and provide avenues for predictive materials design.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Observation of double J / ψ meson production in p Pb collisions at s NN = 8.16 TeV

The first observation of the concurrent production of two J / ψ mesons in proton-nucleus collisions is presented. The analysis is based on a proton-lead ( p Pb ) data sample recorded at a nucleon-nucleon center-of-mass energy of 8.16 TeV by the CMS experiment at the CERN LHC and corresponding to an integrated luminosity of 174.6 nb − 1 . The two J / ψ mesons are reconstructed in their μ + μ − decay channels with transverse momenta p T > 6.5 GeV and rapidity | y | < 2.4 . Events where one of the J / ψ mesons is reconstructed in the dielectron channel are also considered in the search. The p Pb → J / ψ J / ψ + X process is observed with a significance of 5.3 standard deviations. The measured inclusive fiducial cross section, using the four-muon channel alone, is σ ( p Pb → J / ψ J / ψ + X ) = 22.0 ± 8.9 ( stat ) ± 1.5 ( syst ) nb . A fit of the data to the expected rapidity separation for pairs of J / ψ mesons produced in single (SPS) and double (DPS) parton scatterings yields σ SPS p Pb → J / ψ J / ψ + X = 16.5 ± 10.8 ( stat ) ± 0.1 ( syst ) nb and σ DPS p Pb → J / ψ J / ψ + X = 5.4 ± 6.2 ( stat ) ± 0.4 ( syst ) nb , respectively. This latter result can be transformed into a lower bound on the effective DPS cross section, closely related to the squared average interparton transverse separation in the collision, of σ eff > 1.0 mb at 95% confidence level. © 2024 CERN, for the CMS Collaboration 2024 CERN

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Data Repository for Power system Open models With Evolving Resources (DR POWER) (Final Scientific/Technical Report)

Pacific Northwest National Laboratory (PNNL) and the National Rural Electric Cooperative Association (NRECA) created a Data Repository for Power system Open models With Evolving Resources (DR POWER) to establish, curate, and evolve open-access power grid models and scenarios, and measurements and observations, collectively referred to as datasets. Existing open-access datasets are inadequate (too small and not representative of the complexity of the modern grid, and scattered all over the world wide web) for the investigation and benchmarking of the advanced optimization methods needed for next-generation grids. Open-access datasets are static and inadequate in other aspects: they do not provide format transformation tools; there is missing information needed for advanced applications; hard to cite; no model evolution history; difficult to update current collections; and little to no community involvement and feedback. Overall, the current landscape is hindering model evolution and benchmarking standards needed for transformational approaches to be developed, tested, and accepted by the power modeling community.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Comet Giacobini-Zinner - In situ observations of energetic heavy ions

Conclusive evidence is presented for the existence of heavy energetic, singly charged cometary ions within 1.5 million km of comet Giacobini-Zinner. The most direct evidence for establishing the mass of these ions was obtained from an analysis of the energy signals in one of the solid state detector on board the International Cometary Explorer. Maximum fluxes were recorded approximately one hour before and after closest approach to the cometary nucleus. Transformation of the particle angular distribution observed at approximately 50,000 km radial distance from the comet, during the inbound pass into a rest frame in which the distributions are nearly isotropic, requires a transformation velocity that is consistent with the local solar wind velocity (assuming these particles are primarily singly ionized with a mass of 18 + or - 6 amu). It is implied that these water-group ions underwent strong pitch angle scattering subsequent to ionization and that they were accelerated or heated. The derived ion density, approximately 0.1/cu cm, is consistent with a crude model for the production and transport of pickup ions.

Ipavich, F. M.↗

The Vitrification and Determination of the Crystallization Time Scales of a Zr58.5Nb2.8Cu15.6Ni12.8Al10.3 Bulk Metallic Glass Forming Liquid

Zr58.5Nb2.8Cul5.6Nil2.8All0.3 is the first bulk glass forming liquid that does not contain beryllium to be vitrified by purely radiative cooling in the containerless electrostatic levitation process. The measured critical cooling rate is 1.75 K/s. The sluggish crystallization kinetics enable the determination of the time-temperature-transformation (TTT) diagram between the liquidus and the glass transition temperatures. At the nose of the TTT diagram, the shortest time to reach crystallization in an isothermal experiment is 32 seconds. In contrast to other bulk metallic glasses the scatter in the crystallization onset times are small at both high and low temperatures.

Hays, C. C.↗

MEASUREMENT OF THE GENERALIZED POLARIZABILITIES OF THE PROTON IN VIRTUAL COMPTON SCATTERING

Understanding how the visible matter in the universe arises from its elementary quark and gluon constituents is a central question for science. The visible world is founded on the proton, the only composite building block of matter that is stable in nature. Consequently, understanding the formation of matter relies on explaining the dynamics and the properties of the proton?s bound state. A fundamental property of the proton involves the system?s response to an external electromagnetic (EM) field. It is characterized by the EM polarizabilities that describe how easily the charge and magnetization distributions inside the system are distorted by the EM field. When the polarizabilities are generalized to finite momentum transfer, their Fourier transform can map out the spatial distribution of the polarization densities in a proton subject to an EM field. This thesis focuses on the measurement of the proton generalized polarizabilities (GPs) at low four-momentum transfer in experimental Hall C at the Thomas Jefferson National Accelerator Facility (TJNAF). Among the six independent GPs, we will focus on the electric (aE1) and the magnetic (bM1) scalar GPs. The GPs can be accessed through measurements of the Virtual Compton Scattering reaction, by replacing the incoming real photon of the Compton scattering process with a space-like virtual photon. The outgoing real photon provides the EM perturbation to the system. In addition, the Dispersion Relation Formalism is used for generalized polarizability extraction. In this work, the two scalar GPs measured with unprecedented precision, and the measurements help explore a momentum transfer region where an anomalous enhancement of the electric GP that contradicts the predictions of nuclear theory has been observed.

Li, Ruonan↗

Crystallographic orientation variation of isothermal pearlite under high magnetic field

Crystallographic orientation (CO) variation of magnetic-induced pearlite (MIP) during its microstructure evolution in 19.8 T was investigated by electron back-scatter diffraction (EBSD). It is closely related to the isothermal temperatures (ITs) and the applied magnetic time (MT) during the process of MIP formation. The <100> easy magnetization direction in MIP colonies is strengthened with the MT within the certain transformed fraction of MIP (f{sub MIP}) at the relatively lower IT (983 K) above the eutectoid temperature but below the magnetically shifted upward eutectoid temperature, while this special CO tends to be weakened at a relatively higher IT (995 K). For the same MT, the higher the IT, the relatively larger is the proportion in <100> orientation for MIP colonies at the early growth stage. These results have demonstrated that the change of <100> orientation of MIP is closely related to the growth rate of pearlite ferrite (PF), and strengthened mainly at early transformation stage. When f{sub MIP} reaches some value, the growth rate of MIP at other COs, such as <110>, even at the hard magnetization direction, turns to present speed-up. - Highlights: • HMF can induce pearlite with different fractions above the eutectoid temperature. • CO is closely related to isothermal temperatures and applied magnetic time. • <100> direction is related to the growth rate of PF, and strengthened at early stage. • When f{sub MIP} reaches some value, the growth rate at other COs turns to present speed-up.

36 MATERIALS SCIENCE↗

Chaos in inhomogeneous neutrino fast flavor instability

In dense neutrino gases, the neutrino-neutrino coherent forward scattering gives rise to a complex flavor oscillation phenomenon not fully incorporated in simulations of neutron star mergers (NSM) and core collapse supernovae (CCSNe). Moreover, it has been proposed to be chaotic, potentially limiting our ability to predict neutrino flavor transformations in simulations. To address this issue, we explore how small flavor perturbations evolve in the nonlinear regime of the neutrino quantum kinetic equation within a narrow centimeter-scale region inside a NSM and a toy neutrino distribution. Our findings reveal that paths in the flavor state space of solutions with similar initial conditions diverge exponentially, exhibiting chaos. This inherent chaos makes the microscopic scales of neutrino flavor transformations unpredictable. However, the domain-averaged neutrino density matrix remains relatively stable, with chaos minimally affecting it. This particular property suggests that domain-averaged quantities remain reliable despite the exponential amplification of errors. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Techniques for the estimation of leaf area index using spectral data

Based on the radiative transport theory of a homogeneous canopy, a new approach for obtaining transformations of spectral data used to estimate leaf area index (LAI), is developed. The transformations which are obtained without any ground knowledge of LAI show low sensitivity to soil variability, and are linearly related to LAI with relationships which are predictable from leaf reflectance, transmittance properties, and canopy reflectance models. Evaluation of the SAIL (scattering by arbitrarily inclined leaves) model is considered. Using only nadir view data, results obtained on winter and spring wheat and corn crops are presented.

Badhwar, G. D.↗

Interferogram analysis using Fourier transform techniques

A method of interferogram analysis is described in which Fourier transform techniques are used to map the complex fringe visibility in several types of interferograms. Algorithms are developed for estimation of both the amplitude and the phase of the fringes (yielding the modulus and the phase of the holographically recorded object Fourier transform). The algorithms were applied to the reduction of interferometric seeing measurements (i.e., the estimation of the fringe amplitude only), and the reduction of interferometric tests (i.e., estimation of the fringe phase only). The method was used to analyze scatter-plate interferograms obtained at NOAO.

Roddier, Claude↗

A d-dimensional stress tensor for Mink d+2 gravity

We consider the tree-level scattering of massless particles in (d+2)-dimensional asymptotically flat spacetimes. The $S$ -matrix elements are recast as correlation functions of local operators living on a space-like cut $M$ d of the null momentum cone. The Lorentz group SO(d + 1, 1) is nonlinearly realized as the Euclidean conformal group on $M$ d . Operators of non-trivial spin arise from massless particles transforming in non-trivial representations of the little group SO(d), and distinguished operators arise from the soft-insertions of gauge bosons and gravitons. The leading soft-photon operator is the shadow transform of a conserved spin-one primary operator J a , and the subleading soft-graviton operator is the shadow transform of a conserved spin-two symmetric traceless primary operator T ab . The universal form of the soft-limits ensures that J a and T ab obey the Ward identities expected of a conserved current and energy momentum tensor in a Euclidean CFT d , respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Solvent-Driven Transformation of Zn/Cd 2+ -Deoxycholate Assemblies

Deoxycholic acid (DOC) is a unique, biologically derived surfactant with facial amphiphilicity that has been exploited, albeit minimally, in supramolecular assembly of materials. Here, we present the synthesis and structural characterization of three hybrid metal (Zn 2+ and Cd 2+ )-DOC compounds. Analysis by single-crystal Xray diffraction reveals the many interactions that are possible between these facial surfactants and the influence of solvent molecules that drive the assembly of materials. These structures are the first metal- DOC complexes besides those obtained from alkali and alkaline earth metals. We isolated polymeric chains of both Cd and Zn (Zn poly -DOC and Cd poly -DOC) from water. Major interactions between DOC molecules in these phases are hydrophobic in nature. Cd poly -DOC exhibits unique P1 symmetry, with complete interdigitation of the amphiphiles between neighboring polymeric chains. Zn 4 -DOC, obtained from methanol dissolution of Zn poly -DOC, features the OZn 4 tetrahedron, widely known in basic zinc acetate and MOF-5 (metal organic framework). We document a solvent-driven, roomtemperature transition between Zn poly -DOC and Zn 4 -DOC (in both directions) by scanning and transmission electron microscopies in addition to small-angle X-ray scattering, powder X-ray diffraction, and infrared spectroscopy. These studies show the methanoldriven transition of Zn poly -DOC to Zn 4 -DOC occurs via an intermediate with no long-range order of the Zn 4 clusters, indicating the strongest interactions driving assembly are intramolecular. On the contrary, water-driven solid-to-solid transformation from Zn 4 -DOC to Zn poly -DOC exhibits crystal-to-crystal transformation. Zn poly -DOC is robust, easy to synthesize, and comprised of biologically benign components, so we demonstrate dye absorption as a proxy for water treatment applications. It favors absorption of positively charged dyes. These studies advance molecular level knowledge of the supramolecular assembly of facial surfactants that can be exploited in the design of organic-inorganic hybrid materials. This research also highlights the potential of solvent for tuning supramolecular assembly processes, leading to new hybrid materials featuring facial surfactants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of Molecular Weight on the Ion Transport Mechanism in Polymerized Ionic Liquids

The unique properties of ionic liquids (ILs) have made them promising candidates for electrochemical applications. Polymerization of the corresponding ILs results in a new class of materials called polymerized ionic liquids (PolyILs). Though PolyILs offer the possibility to combine the high conductivity of ILs and the high mechanical strength of polymers, their conductivities are typically much lower than that of the corresponding small molecule ILs. In this study, seven PolyILs were synthesized having degrees of polymerization ranging from 1 to 333, corresponding to molecular weights (MW) from 482 to 160 400 g/mol. Depolarized dynamic light scattering, broadband dielectric spectroscopy, rheology, and differential scanning calorimetry were employed to systematically study the influence of MW on the mechanism of ionic transport and segmental dynamics in these materials. Finally, the modified Walden plot analysis reveals that the ion conductivity transforms from being closely coupled with structural relaxation to being strongly decoupled from it as MW increases.

36 MATERIALS SCIENCE↗

Computational approaches to model X-ray photon correlation spectroscopy from molecular dynamics

X-ray photon correlation spectroscopy (XPCS) allows for the resolution of dynamic processes within a material across a wide range of length and time scales. X-ray speckle visibility spectroscopy (XSVS) is a related method that uses a single diffraction pattern to probe ultrafast dynamics. Interpretation of the XPCS and XSVS data in terms of underlying physical processes is necessary to establish the connection between the macroscopic responses and the microstructural dynamics. To aid the interpretation of the XPCS and XSVS data, we present a computational framework to model these experiments by computing the X-ray scattering intensity directly from the atomic positions obtained from molecular dynamics simulations. We compare the efficiency and accuracy of two alternative computational methods: the direct method computing the intensity at each diffraction vector separately, and a method based on fast Fourier transform that computes the intensities at all diffraction vectors at once. Furthermore, the computed X-ray speckle patterns capture the density fluctuations over a range of length and time scales and are shown to reproduce the known properties and relations of experimental XPCS and XSVS for liquids.

36 MATERIALS SCIENCE↗

In situ electrochemical high-energy X-ray diffraction using a capillary working electrode cell geometry

The ability to generate new electrochemically active materials for energy generation and storage with improved properties will likely be derived from an understanding of atomic-scale structure/function relationships during electrochemical events. Here, the design and implementation of a new capillary electrochemical cell designed specifically for in situ high-energy X-ray diffraction measurements is described. By increasing the amount of electrochemically active material in the X-ray path while implementing low- Z cell materials with anisotropic scattering profiles, an order of magnitude enhancement in diffracted X-ray signal over traditional cell geometries for multiple electrochemically active materials is demonstrated. This signal improvement is crucial for high-energy X-ray diffraction measurements and subsequent Fourier transformation into atomic pair distribution functions for atomic-scale structural analysis. As an example, clear structural changes in LiCoO 2 under reductive and oxidative conditions using the capillary cell are demonstrated, which agree with prior studies. Accurate modeling of the LiCoO 2 diffraction data using reverse Monte Carlo simulations further verifies accurate background subtraction and strong signal from the electrochemically active material, enabled by the capillary working electrode geometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

QCD Theory and Transverse Momentum Dependent Physics

A major challenge for QCD theorists is to understand how to different categories of QCD physics contribute to a single observable. This is the goal of QCD factorization theory. Today, QCD physicists are tasked with describing increasingly detailed properties of transverse momentum dependent particle distributions, including their shapes and normalizations, their variation with energy and other kinematical variables, the identity of particles involved, correlations with spin, and the relationship between transverse momentum distributions in different processes. Embedded within that broad effort are specific fundamental questions at the heart of QCD theory. Namely, how does one give precise, quantitative meaning to quark and gluon concepts in hard scattering events, and what are the limits of those concepts? In the past two decades, there has been a renaissance in TMD QCD, with a broad spectrum of motivations driving the study of TMD observables. TMD QCD studies are in a transformative stage; subfields that traditionally progressed nearly independently of one other, such as hadronic structure studies and the study of perturbative QCD gluon radiation in high-energy collisions, are becoming intertwined. It is thus becoming increasingly clear that unified approaches -- those that incorporate all the relevant phenomena into a single formalism rooted in QCD fundamentals -- will be critical to the mission to expand the current understanding of QCD nuclear/hadronic dynamics. TMD QCD factorization theorems and their generalizations will be central to these efforts. The factorization theorems, in addition, provide the practical prescription for applying specific calculations to phenomenology. The goal of this project was to unify and push the boundaries of traditional TMD research and prepare it for use in future phenomenological applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗