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At least 397 records · Page 22

Toward nonthermal control of excited quantum materials: framework and investigations by ultrafast electron scattering and imaging

Quantum material systems upon applying ultrashort laser pulses provide a rich platform to access excited material phases and their transformations that are not entirely like their equilibrium counterparts. The addressability and potential controls of metastable or long-trapped out-of-equilibrium phases have motivated interests both for the purposes of understanding the nonequilibrium physics and advancing the quantum technologies. Thus far, the dynamical spectroscopic probes eminently focus on microscopic electronic and phonon responses. For characterizing the long-range dynamics, such as order parameter fields and fluctuation effects, the ultrafast scattering probes offer direct sensitivity. Bridging the connections between the microscopic dynamics and macroscopic responses is central toward establishing the nonequilibrium physics behind the light-induced phases. Here, we present a path toward such understanding by cross-examining the structure factors associated with different dynamical states obtained from ultrafast electron scattering, imaging, and modeling. We give the basic theoretical framework on describing the non-equilibrium scattering problems and briefly describe how such framework relates to the out-of-equilibrium phenomena. We give effective models outlining the emergences of nonthermal critical points, hidden phases, and non-equilibrium relaxational responses from vacuum-suspended rare-earth tritellurides, tantalum disulfides thin films, and vanadium dioxide nanocrystalline materials upon light excitations.

79 ASTRONOMY AND ASTROPHYSICS↗

Interfacial Reactivity and Speciation Emerging from Na-Montmorillonite Interactions with Water and Formic Acid at 200 °C: Insights from Reactive Molecular Dynamics Simulations, Infrared Spectroscopy, and X-ray Scattering Measurements

Reactive organic fluid - mineral interactions at elevated temperatures contribute to the evolution of planetary matter. One of the less studied but important transformations in this regard involves the reactions of formic acid with naturally occurring clays such as sodium montmorillonite. To advance a mechanistic understanding of these interactions, we use ReaxFF reactive molecular dynamics simulations in conjunction with infrared (IR) spectroscopy and X-ray scattering experiments to investigate the speciation behavior of water-formic acid mixtures on sodium montmorillonite interfaces at 473 K and 1 atm. Using a newly developed reactive forcefield, we show that the experimental IR spectra of unreacted and reacted mixture can be accurately reproduced by ReaxFF/MD. We further benchmark the simulation predictions of sodium carbonate and bicarbonate formation in the clay interlayers using Small and Wide-Angle X-ray Scattering measurements. Subsequently, leveraging the benchmarked forcefield, we interrogate the pathway of speciation reactions with emphasis on carbonate, formate, and hydroxide groups elucidating the energetics, transition states, intermediates, and preferred products. Further, we also delineate the differences in reactivities and catalytic effects of clay edges, facets, and interlayers owing to their local chemical environments, which have far reaching consequences in their speciation behavior. The experimental and simulation approaches described in this study and the transferable forcefields can be applied translationally to advance the science of clay-fluid interactions for several applications including subsurface fluid storage and recovery and clay-pollutant dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microstructure evolution and properties of graphene nanoplatelets reinforced aluminum matrix composites

Highlights: • Lamellar structure of GNPs fibers and Al matrix was obtained in the rolling direction. • Stacking faults were observed in Al grains due to greatly increased GNPs/Al interfaces. • Strength of Al-0.2 wt% GNPs increased 36.8% with negligible electrical conductivity loss. - Abstract: Aluminum matrix composites reinforced with graphene nanoplatelets (GNPs) were prepared by continuous casting and subsequent rolling. Al-GNPs master alloy, prepared by ball milling and cold pressing, was added into Al melts to fabricate the composites. Microstructure evolution of the composites were observed using scanning electron microscopy (SEM), transmission electron microscopy (TEM) and electron back scattered diffraction (EBSD). GNPs distributed uniformly in the as-cast specimen and then transformed into fibers in the rolling direction after deformation and finally a lamellar structure formed in the composites. Raman spectra showed that the structural damage of GNPs mainly came from ball milling. The interface between GNPs and Al was well combined in general while a few microcracks were observed, which reduced the ductility of the composites and no adverse aluminum carbide (Al{sub 4}C{sub 3}) was detected at the interface. Stacking faults were observed interior of the aluminum grain, which may due to the existence of plentiful interface introduced by GNPs. Fracture observation revealed that the load transferred from Al matrix to GNPs. The ultimate tensile strength of Al-0.2 wt% GNPs composites was about 36.8% higher than that of pure Al with the same casting and rolling process, which should result from the lamellar structure and load transfer, while the conductivity of the composites decreased slightly, indicating that interface scattering between Al and GNPs is very limited. The investigation results show that Al-GNPs composite is potential for high strength and high conductivity application.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Hydrogen Diffusivity Measurements of YH 1.87 Moderator Material with Incoherent Quasielastic Neutron Scattering

Yttrium hydride is an optimal choice of moderator material for thermal neutron spectrum reactors requiring small core volumes. The Transformation Challenge Reactor (TCR) program at Oak Ridge National Laboratory (ORNL) aims to develop an additively manufactured microreactor core by leveraging recent advances in materials, manufacturing, data analytics, and high-fidelity modeling and simulation. Yttrium hydride was selected as the moderator material for TCR due to its high moderating power, which enables the spatially efficient reactor design and thermal stability that is superior when compared with zirconium hydride. Hydrogen desorption from yttrium hydride is expected at elevated temperatures, posing safety and performance concerns. As a lifetime component in advanced reactors, appropriate strategies to mitigate hydrogen release from yttrium hydride over long-term reactor operation are required. Understanding hydrogen mobility in yttrium hydride provides the scientific basis for developing a hydrogen barrier for hydride moderator and predicting the hydrogen redistribution within the material during various operational conditions. This study investigated the hydrogen motion in YH 1.87 as a function of temperature ranging from 200 to 1,173 K using incoherent quasielastic neutron scattering (IQNS) at the Spallation Neutron Source (SNS). The results are presented and discussed in terms of hydrogen self-diffusion coefficients, activation energy for translational hydrogen motion, and hydrogen jump distances. Based on the IQNS data, YH 1.87 is found to be stable at high temperatures with no translational H motion below 1,023 K within the IQNS detection limits. In the temperature range of 1,073–1,173 K, hydrogen diffusivity in YH 1.87 is $D = 4.57 X 10^{⁻3} [m^2/s] exp (⁻\frac{1.73[eV]}{RT}$). The hydrogen concentration’s dependence on hydrogen diffusivity is also discussed in this report.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Solitons in lattice field theories via tight-binding supersymmetry

Reflectionless potentials play an important role in constructing exact solutions to classical dynamical systems (such as the Korteweg-de Vries equation), non-perturbative solutions of various large-N field theories (such as the Gross-Neveu model), and closely related solitonic solutions to the Bogoliubov-de Gennes equations in the theory of superconductivity. These solutions rely on the inverse scattering method, which reduces these seemingly unrelated problems to identifying reflectionless potentials of an auxiliary one-dimensional quantum scattering problem. There are several ways of constructing these potentials, one of which is quantum mechanical supersymmetry (SUSY). In this paper, motivated by recent experimental platforms, we generalize this framework to develop a theory of lattice solitons. We first briefly review the classical inverse scattering method in the continuum limit, focusing on the Korteweg-de Vries (KdV) equation and SU(N) Gross-Neveu model in the large N limit. We then generalize this methodology to lattice versions of interacting field theories. Our analysis hinges on the use of trace identities, which are relations connecting the potential of an equation of motion to the scattering data. For a discrete Schrödinger operator, such trace identities had been known as far back as Toda; however, we derive a new set of identities for the discrete Dirac operator. We then use these identities in a lattice Gross-Neveu and chiral Gross-Neveu (Nambu-Jona-Lasinio) model to show that lattice solitons correspond to reflectionless potentials associated with the discrete scattering problem. These models are of significance as they are equivalent to a mean-field theory of a lattice superconductor. To explicitly construct these solitons, we generalize supersymmetric quantum mechanics to tight-binding models. We show that a matrix transformation exists that maps a tight-binding model to an isospectral one which shares the same structure and scattering properties. The corresponding soliton solutions have both modulated hopping and onsite potential, the former of which has no analogue in the continuum limit. We explicitly compute both topological and non-topological soliton solutions as well as bound state spectra in the aforementioned models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Time-resolved diffusion tomographic 2D and 3D imaging in highly scattering turbid media

A method for imaging objects in highly scattering turbid media. According to one embodiment of the invention, the method involves using a plurality of intersecting source/detectors sets and time-resolving equipment to generate a plurality of time-resolved intensity curves for the diffusive component of light emergent from the medium. For each of the curves, the intensities at a plurality of times are then inputted into the following inverse reconstruction algorithm to form an image of the medium: wherein W is a matrix relating output at source and detector positions r.sub.s and r.sub.d, at time t, to position r, .LAMBDA. is a regularization matrix, chosen for convenience to be diagonal, but selected in a way related to the ratio of the noise, to fluctuations in the absorption (or diffusion) X.sub.j that we are trying to determine: .LAMBDA..sub.ij =.lambda..sub.j .delta..sub.ij with .lambda..sub.j = /<.DELTA.Xj.DELTA.Xj> Y is the data collected at the detectors, and X.sup.k is the kth iterate toward the desired absorption information. An algorithm, which combines a two dimensional (2D) matrix inversion with a one-dimensional (1D) Fourier transform inversion is used to obtain images of three dimensional hidden objects in turbid scattering media.

Alfano, Robert R.↗

Understanding Anion, Water, and Methanol Transport in a Polyethylene- b -poly(vinylbenzyl trimethylammonium) Copolymer Anion-Exchange Membrane for Electrochemical Applications

Herein, we report the anion and water transport properties of an anion-exchange membrane (AEM) comprising a block copolymer of polyethylene and poly- (vinylbenzyl trimethylammonium) (PE-b-PVBTMA) with an ion-exchange capacity (IEC) of 1.08 mequiv/g. The conductivity varied little among the anions CO3 2-, HCO3 -, and F-, with a value of Ea ≈ 20 kJ/mol and a maximum fluoride conductivity of 34 mS/cm at 90 °C and 95% relative humidity. The Br- conductivity showed a transition at 60 °C. Pulsed gradient stimulated spin echo nuclear magnetic resonance (PGSE NMR) experiments showed that water diffusion in this AEM is heterogeneous and is affected by the anion present, being fastest in the presence of F-. We determined the methanol self-diffusion in this membrane and observed that it is lower than that in Nafion 117, because of the lower water uptake. This article reports the first measurements of 13C-labeled bicarbonate self-diffusion in an AEM using PGSE NMR spectrometry, which was found to be significantly slower than F- self-diffusion. Back-calculation of the bicarbonate conductivity using the Nernst-Einstein equation gave a value that was significantly lower than the measured value, implying that bicarbonate transport involves OH- in the transport mechanism. Fourier transform infrared spectroscopy, PGSE NMR spectrometry, and small-angle X-ray scattering (SAXS) indicated the presence of different types of waters present in the membrane at different length scales. The SAXS data indicated that there is a water-rich region within the hydrophilic domains of the polymer that has a temperature dependence in intensity at 95% relative humidity (RH).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The effects of seeing on the reflected spectrum of Uranus and Neptune

The results of a redetermination of the rotational periods of Uranus and Neptune, based on spectrograms obtained with the coude spectrograph of the 5 m Hale telescope, are presented. The effects of image motion on the shape of the spectral lines reflected by a planet rotating as a solid body and coherently scattering solar light, has been studied analytically. A general relation between the seeing transformed velocities at any point on the disk and those at the equator is established. It is shown that, for the case of Gaussian seeing, the brightness continuum of the smeared disk contains all the information required to derive the shape of the reflected lines. The shift, change in r.m.s. width, and asymmetry of the seeing transformed lines at the equator have been numerically evaluated for the brightness distribution of Uranus determined from Stratoscope II.

Muench, G.↗

Time-resolved diffusion tomographic 2D and 3D imaging in highly scattering turbid media

A method for imaging objects in highly scattering turbid media. According to one embodiment of the invention, the method involves using a plurality of intersecting source/detectors sets and time-resolving equipment to generate a plurality of time-resolved intensity curves for the diffusive component of light emergent from the medium. For each of the curves, the intensities at a plurality of times are then inputted into the following inverse reconstruction algorithm to form an image of the medium: ##EQU1## wherein W is a matrix relating output at source and detector positions r.sub.s and r.sub.d, at time t, to position r, .LAMBDA. is a regularization matrix, chosen for convenience to be diagonal, but selected in a way related to the ratio of the noise, to fluctuations in the absorption (or diffusion) X.sub.j that we are trying to determine: .LAMBDA..sub.ij =.lambda..sub.j .delta..sub.ij with .lambda..sub.j = /<.DELTA.Xj.DELTA.Xj> Y is the data collected at the detectors, and X.sup.k is the kth iterate toward the desired absoption information. An algorithm, which combines a two dimensional (2D) matrix inversion with a one-dimensional (1D) Fourier transform inversion is used to obtain images of three dimensional hidden objects in turbid scattering media.

Alfano, Robert R.↗

Biobased Semi-Interpenetrating Polymer Networks of Poly(ε-caprolactone) and Epoxidized Soybean Oil with Nanoscale Morphology, Shape-Memory Effect, and Biocompatibility

Creating biobased polymer blends with outstanding properties, nanoscale morphology, shape-memory capability, and biocompatibility is very crucial and requires a fundamental understanding of the phase behavior, macromolecular structure, and biological compatibility of the polymer blends with living cells. It is very critical to understand the complex relationships among the polymer structure, morphology, and performance of multifunctional smart materials under conditions that they are likely to encounter during use, particularly in biomedical applications. Biobased semi-interpenetrating polymer networks of poly(ε-caprolactone) and epoxidized soybean oil with nanoscale morphology have been successfully synthesized via in situ cationic polymerization and compatibilization in a homogeneous solution. Varies analytical and characterization techniques, such as Fourier transform infrared spectroscopy, differential scanning calorimetry, dynamic mechanical analysis, transmission electron microscopy, X-ray scattering, cell toxicity, and shape-memory effects (SMEs), have been employed to understand the structure–properties relationship of these smart, biobased nanostructured polymer blends. The synthesized nano blends were nontoxic or biocompatible and supported attachment of human vein endothelial cells, showing their potential use in biomedical applications. The current versatile, low-cost strategy for synthesizing the nanoscale morphology of semi-interpenetrating polymer networks with SMEs and biocompatibility should be widely applicable for polymer systems. This study is also considered as a continuation to our efforts in the area of biobased polymers to develop innovative technologies to transform natural resources into smart multifunctional materials for a wide range of applications, including coatings, adhesives, and medical devices.

36 MATERIALS SCIENCE↗

A new stationary gridline artifact suppression method based on the 2D discrete wavelet transform

Purpose: In digital x-ray radiography, an antiscatter grid is inserted between the patient and the image receptor to reduce scattered radiation. If the antiscatter grid is used in a stationary way, gridline artifacts will appear in the final image. In most of the gridline removal image processing methods, the useful information with spatial frequencies close to that of the gridline is usually lost or degraded. In this study, a new stationary gridline suppression method is designed to preserve more of the useful information. Methods: The method is as follows. The input image is first recursively decomposed into several smaller subimages using a multiscale 2D discrete wavelet transform. The decomposition process stops when the gridline signal is found to be greater than a threshold in one or several of these subimages using a gridline detection module. An automatic Gaussian band-stop filter is then applied to the detected subimages to remove the gridline signal. Finally, the restored image is achieved using the corresponding 2D inverse discrete wavelet transform. Results: The processed images show that the proposed method can remove the gridline signal efficiently while maintaining the image details. The spectra of a 1D Fourier transform of the processed images demonstrate that, compared with some existing gridline removal methods, the proposed method has better information preservation after the removal of the gridline artifacts. Additionally, the performance speed is relatively high. Conclusions: The experimental results demonstrate the efficiency of the proposed method. Compared with some existing gridline removal methods, the proposed method can preserve more information within an acceptable execution time.

60 APPLIED LIFE SCIENCES↗

Bragg Deflectors of Wave Fluxes for High-Power Relativistic Masers

Quasi-optical Bragg structures that represent sections of planar waveguides with tilted (with respect to the beam propagation direction) corrugation are studied. It is shown that such structures may serve as efficient deflectors for high-power wave fluxes and, hence, can be used for separation of microwave radiation and electron beam in relativistic masers. The corrugation configuration is optimized to increase the efficiency of transformation of wave fluxes to the transverse direction and improve uniformity of the spatial distribution of scattered radiation. The simulated results are verified using cold electrodynamic tests.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Generalized boost transformations in finite volumes and application to Hamiltonian methods

The investigation of hadron interactions within lattice QCD has been facilitated by the well-known quantisation condition, linking scattering phase shifts to finite-volume energies. Additionally, the ability to utilise systems at finite total boosts has been pivotal in smoothly charting the energy-dependent behaviour of these phase shifts. The existing implementations of the quantization condition at finite boosts rely on momentum transformations between rest and moving frames, defined directly in terms of the energy eigenvalues. This energy dependence is unsuitable in the formulation of a Hamiltonian. In this work, we introduce a novel approach to generalise the three-momentum boost prescription, enabling the incorporation of energy-independent finite-volume Hamiltonians within moving frames. We demonstrate the application of our method through numerical comparisons, employing a phenomenological ππ scattering example.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A multiple-scattering approach to transient electromagnetic interaction with plasmas

A multiple-scattering method is described which is applicable to the transient plasma problem concerning the interaction between transient electromagnetic waves and plasmas. The method starts with the time-dependent wave fields scattered by a linear electric dipole when illuminated by a transient plane wave. It avoids the use of Fourier transform methods and provides additional physical insight into the origin of the frequency-dispersive properties of material media. The results are applicable only to cold plasmas since spatial dispersion is neglected, implying that effects due to thermal velocities of electrons - such as incoherent scatter - are not covered by the theory. The advantages of the method for initiation of the student into transient electromagnetics in dispersive media are identified as conceptual simplicity and computational simplicity. The entire analysis is in the time domain.

Bowhill, S. A.↗

Efficient modeling of Bragg coherent x-ray nanobeam diffraction

X-ray Bragg diffraction experiments that utilize tightly focused coherent beams produce complicated Bragg diffraction patterns that depend on scattering geometry, characteristics of the sample, and properties of the x-ray focusing optic. In this paper, we use a Fourier-transform-based method of modeling the 2D intensity distribution of a Bragg peak and apply it to the case of thin films illuminated with a Fresnel zone plate in three different Bragg scattering geometries. Finally, the calculations agree well with experimental coherent diffraction patterns, demonstrating that nanodiffraction patterns can be modeled at nonsymmetric Bragg conditions with this approach—a capability critical for advancing nanofocused x-ray diffraction microscopy.

36 MATERIALS SCIENCE↗

Continuous Encodable Reshaping of Gold Nanocrystals through Facet Modulation

Shape control of nanocrystals (NCs) is crucial for tuning their assembly behavior and functional properties, yet the precise manipulation of facet composition remains challenging. Here, we present a nanocrystal reshaping strategy to control and modulate the facets of gold (Au) NCs. Our one-pot approach, conducted at room temperature, requires only initial Au NCs, Au 3+ ions, and surfactants, distinguishing it from conventional reduction-mediated “etching-and-regrowth” methods. Detailed structural studies using electron microscopy, small-angle X-ray scattering (SAXS), and UV−vis spectroscopy reveal the surfactant-encoded pathway for NC transformation from shaped particles to spheres and then into various polyhedral shapes while preserving the individual particles' volume. The proposed reshaping mechanism involves the dissolution of surface Au atoms into Au + complexes in the presence of Au 3+ and surfactant, followed by surfactant-guided redeposition and formation of facets with different atomic planes. Using the ethanol oxidation reaction (EOR) as a probe, we observe a quasi-linear decrease in onset potential and an increase in activity with increasing {100} facet exposure. This work broadens synthetic strategies by offering precise NC reshaping and facet control.

36 MATERIALS SCIENCE↗

Non-modal theory of the kinetic ion temperature gradient driven instability of plasma shear flows across the magnetic field

The temporal evolution of the kinetic ion temperature gradient driven instability and of the related anomalous transport of the ion thermal energy of plasma shear flow across the magnetic field is investigated analytically. This instability develops in a steady plasma due to the inverse ion Landau damping and has the growth rate of the order of the frequency when the ion temperature is equal to or above the electron temperature. The investigation is performed employing the non-modal methodology of the shearing modes which are the waves that have a static spatial structure in the frame of the background flow. The solution of the governing linear integral equation for the perturbed potential displays that the instability experiences the non-modal temporal evolution in the shearing flow during which the unstable perturbation becomes very different from a canonical modal form. It transforms into the non-modal structure with vanishing frequency and growth rate with time. The obtained solution of the nonlinear integral equation, which accounts for the random scattering of the angle of the ion gyro-motion due to the interaction of ions with ensemble of shearing waves, reveals similar but accelerated process of the transformations of the perturbations into the zero frequency structures. It was obtained that in the shear flow the anomalous ion thermal conductivity decays with time. It is a strictly non-modal effect, which originates from the temporal evolution of the shearing modes turbulence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

hkl-projects/ioc-hkl

HKL-IOC is an open source EPICS IOC that performs real‑time crystallographic HKL calculations for diffractometers and scattering instruments. It integrates the Python hkl library with EPICS through PyDevice, exposing HKL calculations and diffractometer geometry transformations as standard EPICS process variables. This allows beamline and laboratory control systems to convert between motor positions and reciprocal‑space coordinates, configure diffractometer geometries, and drive scans directly in HKL space. The software is written in Python and designed to run alongside existing EPICS deployments without requiring changes to core EPICS components. It is intended for use at synchrotron and neutron scattering facilities, as well as laboratory X‑ray diffractometers, where reliable and reproducible HKL calculations are needed for experiment control, data collection, and automation. HKL-IOC is distributed under the GNU General Public License v3.0 (GPL‑3.0) and contributions and extensions for additional geometries and beamlines are welcomed.

Baekey, Alex↗