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At least 271 records · Page 15

DLSIA: Deep Learning for Scientific Image Analysis

DLSIA (Deep Learning for Scientific Image Analysis) is a Python-based machine learning library that empowers scientists and researchers across diverse scientific domains with a range of customizable convolutional neural network (CNN) architectures for a wide variety of tasks in image analysis to be used in downstream data processing. DLSIA features easy-to-use architectures, such as autoencoders, tunable U-Nets and parameter-lean mixed-scale dense networks (MSDNets). Additionally, this article introduces sparse mixed-scale networks (SMSNets), generated using random graphs, sparse connections and dilated convolutions connecting different length scales. For verification, several DLSIA-instantiated networks and training scripts are employed in multiple applications, including inpainting for X-ray scattering data using U-Nets and MSDNets, segmenting 3D fibers in X-ray tomographic reconstructions of concrete using an ensemble of SMSNets, and leveraging autoencoder latent spaces for data compression and clustering. As experimental data continue to grow in scale and complexity, DLSIA provides accessible CNN construction and abstracts CNN complexities, allowing scientists to tailor their machine learning approaches, accelerate discoveries, foster interdisciplinary collaboration and advance research in scientific image analysis.

97 MATHEMATICS AND COMPUTING↗

Institutional Computing: Annual Progress Report, Precision early universe simulations to constrain nuclear reactions and beyond standard model physics

The current one-year allocation (w20 qburst) is the first year in a two year allocation of the same name. The project has supported two publications in peer-review journals, another manuscript in preparation for publication, a white paper for the Astro2020 Decadal Survey, and a number of talks (see below). Code development continues on implementing a neutrino quantum kinetic equation solver into BURST, now called QBURST. While implementing coherent and forward-scattering processes into the dynamical neutrino evolution equations, multiple numerical issues have appeared. We have remedied a number of these issues through extensive debugging and testing, which include streamlining interpolation and implementing new ODE integration techniques. Further testing is required to solve the problem at a precision of better than one part in 10 6 . We expect that we will understand the numerical difficulties and implement solutions by end of year 2021.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Criticality Experiments to Reduce Compensating Errors in Plutonium Nuclear Data

Compensating errors between nuclear data observables in a library can adversely impact application simulations. The primary goal of the EUCLID project (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) is to reduce compensating errors in nuclear data. A new criticality experiment, described in this work, was designed with the specific target nuclear data of 239 Pu fission, inelastic scattering, elastic scattering, capture, nu-bar, and prompt fission neutron spectrum (PFNS). This work will focus on the design and execution of the EUCLID experiment, performed on the Planet vertical lift critical assembly machine at the National Criticality Experiments Research Center (NCERC). The criticality experiment includes two different configurations with very different geometries: one is cube-like to minimize neutron leakage while the other is slab-like to maximize leakage. Having these two widely varying configurations allows the scattering sensitivities of 239 Pu to the neutron multiplication factor to be greatly changed while minimally impacting the other cross section sensitivities. Both configurations utilize the Pu ZPPR (Zero Power Physics Reactor) plates as fuel. The experiments were designed using a D-Optimality criteria, which is an optimization method minimizing the log-determinant of the adjusted nuclear data covariance for the target reactions. These experiments include not only inference of k eff , as done in all critical benchmark experiments, but several other responses as well, such as neutron multiplication measurements and reaction rate ratios. After analysis of the measured data is complete, adjustment of nuclear data will be performed to assess whether the new experimental data successfully reduced compensating errors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Scattering equations in AdS: scalar correlators in arbitrary dimensions

We introduce a bosonic ambitwistor string theory in AdS space. Even though the theory is anomalous at the quantum level, one can nevertheless use it in the classical limit to derive a novel formula for correlation functions of boundary CFT operators in arbitrary space-time dimensions. The resulting construction can be treated as a natural extension of the CHY formalism for the flat-space S-matrix, as it similarly expresses tree-level amplitudes in AdS as integrals over the moduli space of Riemann spheres with punctures. These integrals localize on an operator-valued version of scattering equations, which we derive directly from the ambitwistor string action on a coset manifold. As a testing ground for this formalism we focus on the simplest case of ambitwistor string coupled to two cur- rent algebras, which gives bi-adjoint scalar correlators in AdS. In order to evaluate them directly, we make use of a series of contour deformations on the moduli space of punctured Riemann spheres and check that the result agrees with tree level Witten diagram computations to all multiplicity. We also initiate the study of eigenfunctions of scattering equations in AdS, which interpolate between conformal partial waves in different OPE channels, and point out a connection to an elliptic deformation of the Calogero-Sutherland model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The SAGEX review on scattering amplitudes Chapter 15: The multi-Regge limit

We review the Regge and multi-Regge limit of scattering amplitudes in gauge theory, focusing on QCD and its maximally supersymmetric cousin, planar $\mathcal{N}=4$ super-Yang–Mills theory. We identify the large logarithms that are developed in these limits, and the progress that has been made in resumming them, towards next-to-next-to-leading logarithms for BFKL evolution in QCD, as well as all-orders proposals in planar $\mathcal{N}=4$ super-Yang–Mills theory and the perturbative checks of those proposals. We also cover the application of single-valued multiple polylogarithms to this important kinematical limit of particle scattering.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Collective optical Thomson scattering in pulsed-power driven high energy density physics experiments (invited)

Optical collective Thomson scattering is used to diagnose magnetized high energy density physics experiments at the Magpie pulsed-power generator at Imperial College London. The system uses an amplified pulse from the 2nd harmonic of a Nd:YAG laser (3 J, 8 ns, 532 nm) to probe a wide diversity of hightemperature plasma objects; with densities in the range of 10 17 -10 19 cm -3 and temperatures between 10 eV and a few keV. The scattered light is collected from 100 μm-scale volumes within the plasmas, which are imaged onto optical fiber arrays. Multiple collection systems observe these volumes from different directions, providing simultaneous probing with different scattering K-vectors (and different associated α-parameters, typically in the range 0.5 – 3) allowing independent measurements of separate velocity components of the bulk plasma flow. The fiber arrays are coupled to an imaging spectrometer with a gated ICCD. The spectrometer is configured to view the ion-acoustic waves (IAWs) of the collective Thomson scattered spectrum. Fits to the spectra with the theoretical spectral density function S(K,ω) yield measurements of the local plasma temperatures and velocities. Fitting is constrained by independent measurements of the electron density from laser interferometry, and the corresponding spectra for different scattering vectors. Furthermore, this TS diagnostic has been successfully implemented on a wide range of experiments, revealing temperature and flow velocity transitions across magnetized shocks, inside rotating plasma jets and imploding wire arrays, as well as providing direct measurements of drift velocities inside a magnetic reconnection current sheet.

47 OTHER INSTRUMENTATION↗

Heteroepitaxial chemistry of zinc chalcogenides on InP nanocrystals for defect-free interfaces with atomic uniformity

Heteroepitaxy on colloidal semiconductor nanocrystals is an essential strategy for manipulating their optoelectronic functionalities. However, their practical synthesis typically leads to scattered and unexpected outcomes due to the intervention of multiple reaction pathways associated with complicated side products of reactants. Here, the heteroepitaxy mechanism of zinc chalcogenide initiated on indium phosphide (InP) colloidal nanocrystals is elucidated using the precursors, zinc carboxylate and trialkylphosphine selenide. The high magnetic receptivity of 77 Se and the characteristic longitudinal optical phonon mode of ZnSe allowed for monitoring the sequence of epilayer formation at the molecular level. The investigation revealed the sterically hindered acyloxytrialkylphosphonium and diacyloxytrialkylphosphorane to be main intermediates in the surface reaction, which retards the metal ion adsorption by a large steric hindrance. The transformation of adsorbates to the crystalline epilayer was disturbed by surface oxides. Raman scattering disclosed the pathway of secondary surface oxidation triggered by carboxylate ligands migrated from zinc carboxylate. The surface-initiated heteroepitaxy protocol is proposed to fabricate core/shell heterostructured nanocrystals with atomic-scale uniformity of epilayers. Despite the large lattice mismatch of ZnS to InP, we realised a uniform and interface defect-free ZnS epilayer (~0.3 nm thickness) on InP nanocrystals, as evidenced by a high photoluminescence quantum yield of 97.3%.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Measurement of the 28 Si ⁢(𝑛,𝑛′⁢𝛾) cross section with 𝑛, 𝛾, and correlated 𝑛−𝛾 angular distributions

Silicon has become an unavoidable element in the circuitry central to everyday life. In turn, the interactions of silicon isotopes with neutrons for nuclear physics applications, among other motivations, have become increasingly important to understand. The dominant isotope of silicon, 28 Si, is thus of primary interest for enhanced understanding for neutron transport calculations and related investigations. Unfortunately, the existing measurement database for neutron scattering reactions on 28 Si is minimal, and nuclear data evaluations on this topic have not been updated for decades. This article details new measurements of the 28 Si ⁢(𝑛,𝑛′⁢𝛾) reaction utilizing multiple analysis methods available within the correlated gamma neutron array for scattering (CoGNAC). Specifically, high-precision near-threshold results and high-incident-energy results were obtained using the 𝛾-only and correlated 𝑛−𝛾 techniques. First-ever measurements of the correlated 𝑛−𝛾 angular distribution for particles emitted following population of the first excited state in 28 Si were obtained as well, which provide unique insight into theoretical descriptions of the inelastic neutron scattering reaction mechanism itself and detailed guidance for nuclear reaction models. The results agree well with literature data where they exist, and substantially expand on the current database for neutron reactions on 28 Si .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Biophysical analysis of the plant-specific GIPC sphingolipids reveals multiple modes of membrane regulation

The plant plasma membrane (PM) is an essential barrier between the cell and the external environment, controlling signal perception and transmission. It consists of an asymmetrical lipid bilayer made up of three different lipid classes: sphingolipids, sterols, and phospholipids. The glycosyl inositol phosphoryl ceramides (GIPCs), representing up to 40% of total sphingolipids, are assumed to be almost exclusively in the outer leaflet of the PM. However, their biological role and properties are poorly defined. In this study, we investigated the role of GIPCs in membrane organization. Because GIPCs are not commercially available, we developed a protocol to extract and isolate GIPC-enriched fractions from eudicots (cauliflower and tobacco) and monocots (leek and rice). Lipidomic analysis confirmed the presence of trihydroxylated long chain bases and 2-hydroxylated very long-chain fatty acids up to 26 carbon atoms. The glycan head groups of the GIPCs from monocots and dicots were analyzed by gas chromatograph-mass spectrometry, revealing different sugar moieties. Multiple biophysics tools, namely Langmuir monolayer, ζ-Potential, light scattering, neutron reflectivity, solid state 2H-NMR, and molecular modeling, were used to investigate the physical properties of the GIPCs, as well as their interaction with free and conjugated phytosterols. We showed that GIPCs increase the thickness and electronegativity of model membranes, interact differentially with the different phytosterols species, and regulate the gel-to-fluid phase transition during temperature variations. These results unveil the multiple roles played by GIPCs in the plant PM.

59 BASIC BIOLOGICAL SCIENCES↗

Imaging crossing fibers in mouse, pig, monkey, and human brain using small-angle X-ray scattering

Myelinated axons (nerve fibers) efficiently transmit signals throughout the brain via action potentials. Multiple methods that are sensitive to axon orientations, from microscopy to magnetic resonance imaging, aim to reconstruct the brain's structural connectome. As billions of nerve fibers traverse the brain with various possible geometries at each point, resolving fiber crossings is necessary to generate accurate structural connectivity maps. However, doing so with specificity is a challenging task because signals originating from oriented fibers can be influenced by brain (micro)structures unrelated to myelinated axons. X-ray scattering can specifically probe myelinated axons due to the periodicity of the myelin sheath, which yields distinct peaks in the scattering pattern. Here, in this work, we show that small-angle X-ray scattering (SAXS) can be used to detect myelinated, axon-specific fiber crossings. We first demonstrate the capability using strips of human corpus callosum to create artificial double- and triple-crossing fiber geometries, and we then apply the method in mouse, pig, vervet monkey, and human brains. We compare results to polarized light imaging (3D-PLI), tracer experiments, and to outputs from diffusion MRI that sometimes fails to detect crossings. Given its specificity, capability of 3-dimensional sampling and high resolution, SAXS could serve as a ground truth for validating fiber orientations derived using diffusion MRI as well as microscopy-based methods.

59 BASIC BIOLOGICAL SCIENCES↗

A study of charge symmetry violation in fragmentation functions extracted from semi-inclusive electroproduction of charged pions from protons and deuterons

We have measured the flavor dependence of multiplicities for ?+ and ?? production in semi- inclusive deep-inelastic scattering (SIDIS) on proton and deuteron targets. We used a 10.6 GeV electron beam at Jefferson Lab, and 4 msr solid angle spectrometers (HMS for electrons, SHMS for pions), the lepton vertex spanned the kinematic range 0.3 < ? < 0.6, 2 < ?2 < 5 GeV2, and 4 < ?2 < 11 GeV2. The pion fractional momentum range was 0.3 < ? < 0.7 and the small transverse momentum range was 0 < ?? < 0.25 GeV. We used the multiplicities to form sum-and- difference ratios, testing the validity of factorization. We extracted two favored and two unfavored flavor-dependent fragmentation functions (FFs) using these multiplicities. Assuming factorization at low ?? , we find that these two FFs allow for isospin breaking (charge symmetry violation) at low ?, while converging to a common flavor independent value at the highest ? of this experiment, where the factorization is most applicable.

Bhatt, Hem↗

Multiphonon diffuse scattering in solids from first principles: Application to layered crystals and two-dimensional materials

Time-resolved diffuse scattering experiments have gained increasing attention due to their potential to reveal nonequilibrium dynamics of crystal lattice vibrations with full momentum resolution. Although progress has been made in interpreting experimental data on the basis of one-phonon scattering, understanding the role of individual phonons can be sometimes hindered by multiphonon excitations. In Ref. [M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, and R. Ernstorfer, Phys. Rev. Lett. 127, 207401 (2021)], we have introduced a rigorous approach for the calculation of the all-phonon inelastic scattering intensity of solids from first-principles. In the present work, we describe our implementation in detail and show that multiphonon interactions are captured efficiently by exploiting translational and time-reversal symmetries of the crystal. We demonstrate its predictive power by calculating the scattering patterns of monolayer molybdenum disulfide (MoS 2 ), bulk MoS 2 , and black phosphorus (bP), and we obtain excellent agreement with our measurements of thermal electron diffuse scattering. Remarkably, our results show that multiphonon excitations dominate in bP across multiple Brillouin zones, while in MoS 2 they play a less pronounced role. We expand our analysis for each system and examine the effect of individual atomic and interatomic vibrational motion on the diffuse scattering signals. We further demonstrate the high-throughput capability of our approach by reporting all-phonon scattering maps of two-dimensional MoSe 2 , WSe 2 , WS 2 , graphene, and CdI 2 , rationalizing in each case the effect of multiphonon processes. As a side point, we show that the special displacement method reproduces the thermally distorted configuration that generates precisely the all-phonon diffuse pattern. In conclusion, the present methodology opens the way for systematic calculations of the scattering intensity in crystals and the accurate interpretation of static and time-resolved inelastic scattering experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

ECCE unpolarized TMD measurements

For this work, we performed feasibility studies for various measurements that are related to unpolarized TMD distribution and fragmentation functions for the ECCE detector proposal. The processes studied include semi-inclusive Deep inelastic scattering (SIDIS) where single hadrons (pions and kaons) were detected in addition to the scattered DIS lepton. The single hadron cross sections and multiplicities were extracted as a function of the DIS variables x and Q 2 , as well as the semi-inclusive variables z, which corresponds to the momentum fraction the detected hadron carries relative to the struck parton and P T , which corresponds to the transverse momentum of the detected hadron relative to the virtual photon. The expected statistical precision of such measurements is extrapolated to accumulated luminosities of 10 fb –1 and potential systematic uncertainties are approximated given the deviations between true and reconstructed yields. The expected uncertainties are then used to obtain the expected impact on the related TMD distribution and fragmentation functions. We find that the ECCE detector proposal fulfills the physics requirements on these channels as detailed in the EIC Yellow Report.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Revisiting metal fluorides as lithium-ion battery cathodes

Metal fluorides, promising lithium-ion battery cathode materials, have been classified as conversion materials due to the reconstructive phase transitions widely presumed to occur upon lithiation. We challenge this view by studying FeF 3 using X-ray total scattering and electron diffraction techniques that measure structure over multiple length scales coupled with density functional theory calculations, and by revisiting prior experimental studies of FeF 2 and CuF 2 . Metal fluoride lithiation is instead dominated by diffusion-controlled displacement mechanisms, and a clear topological relationship between the metal fluoride F- sublattices and that of LiF is established. Initial lithiation of FeF3 forms FeF2 on the particle's surface, along with a cation-ordered and stacking-disordered phase, A-Li x Fe y F 3 , which is structurally related to alpha-/beta-LiMn 2+ Fe 3+ F 6 and which topotactically transforms to B- and then C-Li x Fe y F 3 , before forming LiF and Fe. Lithiation of FeF 2 and CuF 2 results in a buffer phase between FeF 2 /CuF 2 and LiF. Overall, the resulting principles will aid future developments of a wider range of isomorphic metal fluorides.

25 ENERGY STORAGE↗

Superconductivity Reinforces Charge-Density-Wave Phase Coherence across Cuprates

For decades, superconductivity in high-𝑇 c cuprates has been viewed as a competitor that suppresses charge-density-wave (CDW) order by reducing its amplitude and spatial extent. Here, in this study, we show that this picture is incomplete, as superconductivity is accompanied by a systematic enhancement of CDW phase coherence across multiple cuprate families. Using resonant soft x-ray scattering combined with a coherence-sensitive momentum-profile analysis, we uncover a BCS-like growth of phase coherence below 𝑇 c , which phenomenologically manifests as the absence of CDW peak broadening and near-perfect wave-vector locking. This enhancement remains visible even in a disorder-dominated regime created by long-term crystal aging and follows a common trend when compared with published data on Bi-, Hg-, Y-, and Nd-based cuprates. These results indicate that superconductivity reshapes CDW order in two distinct ways, suppressing its amplitude while strengthening its phase coherence, and reveal an additional phase-level interplay with lattice coupling in high-𝑇 c cuprates.

Lee, H. [SLAC National Accelerator Laboratory (SLA↗

Spin excitations in the kagome-lattice metallic antiferromagnet Fe 0.89 Co 0.11 Sn

Kagome-lattice materials have attracted tremendous interest due to the broad prospect for seeking superconductivity, quantum spin liquid states, and topological electronic structures. Among them, the transition-metal kagome lattices are high-profile objects for the combination of topological properties, rich magnetism, and multiple-orbital physics. Here we report an inelastic neutron scattering study on the spin dynamics of a kagome-lattice antiferromagnetic metal Fe 0.89 Co 0.11 Sn. Although the magnetic excitations can be observed up to ~250 meV, well-defined spin waves are only identified below ~90 meV and can be modeled using Heisenberg exchange with ferromagnetic in-plane nearest-neighbor coupling J 1 , in-plane next-nearest-neighbor coupling J 2 , and antiferromagnetic (AFM) interlayer coupling J c under linear spin-wave theory. Above ~90 meV, the spin waves enter the itinerant Stoner continuum and become highly damped particle-hole excitations. At the K point of the Brillouin zone, we reveal a possible band crossing of the spin wave, which indicates a potential Dirac magnon. Finally, our results uncover the evolution of the spin excitations from the planar AFM state to the axial AFM state in Fe 0.89 Co 0.11 Sn, solve the magnetic Hamiltonian for both states, and confirm the significant influence of the itinerant magnetism on the spin excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ultrafast Suppression of the Ferroelectric Instability in KTaO 3

We use an x-ray free-electron laser to study the lattice dynamics following photoexcitation with ultrafast near-UV light (wavelength 266 nm, 50 fs pulse duration) of the incipient ferroelectric potassium tantalate, KT a O 3 . By probing the lattice dynamics corresponding to multiple Brillouin zones through the x-ray diffuse scattering with pulses from the Linac Coherent Light Source (LCLS) (wavelength 1.3 Å and < 10 fs pulse duration), we observe changes in the diffuse intensity associated with a hardening of the transverse acoustic phonon branches along Γ to X and Γ to M. Using force constants from density functional theory, we fit the quasiequilibrium intensity and obtain the instantaneous lattice temperature and density of photoexcited charge carriers. Additionally, the density functional theory calculations demonstrate that photoexcitation transfers charge from oxygen 2p derived π-bonding orbitals to Ta 5d derived antibonding orbitals, further suppressing the ferroelectric instability and increasing the stability of the cubic, paraelectric structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Assessment of Modeling and Nuclear Data Needs for Active Neutron Interrogation

This document is the primary deliverable for a scoping study proposed to DOE National Laboratory Announcement Number LAB 19-2114 in the NNSA research area. The study supports user applications employing active neutron interrogation by providing a science plan to improve the modeling capability and the nuclear data that radiation transport codes use. Users rely on the accuracy of the elastic scattering and non-elastic cross-sections spanning thermal energies to 14 MeV (and higher in some cases) for modeling the neutron transport through complex geometries of materials potentially composed of many elements. While the elastic scattering cross-section data are accepted for all commonly occurring elements, the non-elastic cross-section data and the associated emission data include reaction channels that require attention. The study focused on the non-elastic reactions that emit secondary, also known as prompt, gammas with the premise that many users would benefit from improved modeling of these reactions. Many users develop material assay technologies based upon gamma signatures from radiative capture, inelastic scattering, and reactions on low-Z isotopes emitting multiple particles, so the nuclear data gaps, modeling deficiencies, and recommendations for addressing the shortfalls were assessed for these reactions. Fission gammas were excluded from this study because there are other efforts underway to address known shortfalls. Follow-on efforts that successfully execute the recommendations will tangibly improve to the ability to model gamma signatures and backgrounds for user applications, such as controlled substance detection, oil-well logging, and space exploration.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗