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DOE OSTI2020

High-Energy Coherent X-Ray Dffraction Microscopy of Polycrystal Grains: First Steps Towards a Multi-Scale Approach

Here, we present proof-of-concept imaging measurements of a polycrystalline material that integrate the elements of conventional high-energy x-ray diffraction microscopy with coherent diffraction-imaging techniques, and that can enable in situ strain-sensitive imaging of lattice structure in ensembles of deeply embedded crystals over five decades of length scale upon full realization. We demonstrate that the combination of these two characterization methods enables a more complete picture of the crystal-lattice strain than either method is capable of providing individually. Such complementary imaging capabilities are critical to addressing questions in a variety of research areas such as materials science and engineering, chemistry, and solid-state physics. Towards this eventual goal, the following key aspects are demonstrated: (1) high-energy Bragg coherent diffraction imaging (HE BCDI) of submicron-scale crystallites at 52 keV at current third-generation synchrotron light sources, (2) HE BCDI performed in conjunction with far-field high-energy diffraction microscopy (FF HEDM) on the grains of a polycrystalline sample in a smoothly integrated manner, and (3) the orientation information of an ensemble of grains obtained via FF HEDM used to perform complementary HE BCDI on multiple Bragg reflections of a single targeted grain. The imaged structures are seen to be 477 ± 50 nm or smaller in size, with an estimated strain resolution of 2.5 x 10 -4 . These steps lay the foundation for integration of HE BCDI, which typically provides a spatial resolution tens of nanometers, into a broad suite of well-established HEDM methods, extending HEDM beyond the few-micrometer resolution bound and into the nanoscale, and positioning the approach to take full advantage of the orders-of-magnitude improvement of x-ray coherence expected at fourth-generation light sources presently being built and commissioned worldwide.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

High energy X-ray characterization of the microstructure of PuGa alloy samples at macroscopic depths and non-ambient conditions

High energy (95 keV) X-rays were utilized to characterize the microstructure of eight PuGa alloy samples at room temperature and during cooling to ∼10 K. The samples had different Ga content (nominally 0-3.4 at.%), age, and history. A ninth sample, similarly characterized with neutron diffraction, was included to extend the Ga range to 7 at.%. The samples span the range from single phase α (monoclinic) to δ (face-centered cubic) PuGa, as well as a two-phase α′/δ sample. The crystallographic textures, phase fractions, lattice parameters and dislocation densities of each sample were evaluated through distinct analysis techniques. The textures of the samples were modest. In each case, the dislocation densities were relatively high, comparable to cold worked metals and metals exposed to similar radiation dose. At room temperature, the lattice parameters determined in the predominantly single-phase samples were larger than expected based on the nominal Ga concentration. The observed lattice thermal expansions of the single-phase δ samples to 10 K are self-consistent across the samples and consistent with previous measurements reported in the literature. Significantly larger thermal lattice strain is observed in the δ phase of the two-phase material due to mechanical constraint from the α′ phase, which has a three times larger thermal expansion and is much harder than the δ phase. In conclusion, the results demonstrate the unique value of high-energy X-rays for relatively routine microstructural characterization of Pu alloy samples.

36 MATERIALS SCIENCE↗

DOE OSTI2023

The Seismic Signature of a High-Energy Density Physics Laboratory and Its Potential for Measuring Time-Dependent Velocity Structure

The Z Machine at Sandia National Laboratories is a pulsed power facility for high-energy density physics experiments that can shock materials to extreme temperatures and pressures through a focused energy release of up to ~ 25 MJ in < 100 nanoseconds. It has been in operation for more than two decades and conducts up to ~ 100 experiments, or “shots,” per year. Based on a set of 74 known shot times from 2018, we determined that Z Machine shots produce detectable ~ 3–17 Hz ground motion 12 km away at the Albuquerque Seismological Laboratory, New Mexico (ANMO), borehole seismograph, with peak signal at ~ 7 Hz. The known shot waveforms were used to create a three-component template, leading to the detection of 2339 Z Machine shots since 1998 through single-station cross-correlation. Local seismic magnitude estimates range from local magnitude (M L ) —2 to —1.3 and indicate that only a small fraction of the shot energy is transmitted by seismic phases observable at 12 km distance. The most recent major facility renovation, which was intended to decrease mechanical dissipation, is associated with an abrupt decrease in observed seismic amplitudes at ANMO despite stable maximum shot energy. The highly repetitive impulsive sources are well suited to coda-wave interferometry to investigate time-dependent velocity structures. Relative velocity variations (dv/v) show an annual cycle with amplitude of ~ 0.2%. Local minima are observed in the late spring, and dv/v increases through the summer monsoon rainfall, possibly reflecting patchy saturation as rainfall infiltrates near the eastern edge of the Albuquerque basin. Importantly, the cumulative results demonstrate that forensic seismology can provide insight into long-term operation of facilities such as pulsed-power laboratories, and that their recurring signals may be valuable for studies of time-dependent structure

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Tensor networks for High Energy Physics: contribution to Snowmass 2021

Tensor network methods are becoming increasingly important for high-energy physics, condensed matter physics and quantum information science (QIS). We discuss the impact of tensor network methods on lattice field theory, quantum gravity and QIS in the context of High Energy Physics (HEP). These tools will target calculations for strongly interacting systems that are made difficult by sign problems when conventional Monte Carlo and other importance sampling methods are used. Further development of methods and software will be needed to make a significant impact in HEP. We discuss the roadmap to perform quantum chromodynamics (QCD) related calculations in the coming years. The research is labor intensive and requires state of the art computational science and computer science input for its development and validation. We briefly discuss the overlap with other science domains and industry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Nuclear Excitation and Fission Studies with Short Pulsed Laser-Driven High Energy Gamma Rays

We propose the development of a platform to study photon excitation of high Z nuclei utilizing a high energy (70 J) short pulsed (500 fs) laser to drive > 5 MeV γ-radiation. The laser beam will be focused onto a specially prepared foam or corrugated conveying target, where it generates relativistic MeV electrons via ponderomotive and wake-field acceleration mechanisms. γ-emission is produced in the form of bremsstrahlung in the same target or in a separated high-Z γ-production target hit by the accelerated MeV electrons. The high energy γ-rays will be utilized to provide nuclear state excitation in the short time domain. The γ platform will allow to investigate photo fission of high Z target material positioned in an auxiliary target chamber in the γ-ray beam path via the established gas transport scheme. The photo fission yield will provide furthermore diagnostic information on the produced γ-yield. In addition, γ-spectroscopy will be used to identify γ-lines for the diagnostic of the excited state population of high Z target nuclei. This research capability is relevant to the understanding of how nuclear excitation effects fission, in relevance to recent astrophysical observations on element nucleosynthesis. These processes involve neutron-rich fragments and processes such as fission recycling (e. g. in neutron stars outer crusts).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

High-energy-density-physics measurements in implosions using Bayesian inference

Convergent high-energy-density (HED) experimental platforms are used to study matter under some of the most extreme conditions that can be produced on Earth, comparable to the interior of stars. There are many challenges in using these systems for fundamental measurements currently being addressed by new analysis methods, such as the combination of a reduced physics model and Bayesian inference, allowing a self-consistent inference of physical quantities with a robust error analysis. These methods in combination with simple (as compared to inertial confinement fusion implosions) implosion platforms, which can be modified to show sensitivity to different physical mechanisms of interest, are used to study the physical properties of matter under extreme conditions. This work discusses a subset of implosion targets for studying opacity effects, electron-ion equilibration, and thermal conductivity and, as an example, a system consisting of a thick-shelled, gas-filled laser-direct-drive implosion is used to show how a reduced model and Bayesian inference can help inform experimental design decisions such as diagnostic choice. It is shown that for this system that a combination of neutron and x-ray self-emission diagnostics is critical for constraining the details of the thermodynamic states in the system and that the conductivity exponent in a Spitzer like framework can be constrained to the 30% level in deuterium at gigabar conditions. Furthermore, this process can be applied to many HED systems to make underlying model assumptions explicit and facilitate experimental design and analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

High-energy neutrino constraints on primordial black holes as dark matter

Primordial black holes (PBHs) are one of the most appealing dark matter candidates over a wide range of masses and abundances. This broad parameter space has been constrained by a variety of observational probes. In this work, for the first time, we use data from high-energy neutrino telescopes, like IceCube and ANTARES, to constrain sub-asteroid mass ($\lesssim 10^{18}\,\mathrm{g}$) Schwarzschild PBHs with extended mass functions. We derive limits from the diffuse high-energy neutrino flux produced by the direct evaporation of PBHs, as well as from the transient signatures associated with PBHs passing in the vicinity of the Earth. While our bounds are slightly weaker than existing constraints from gamma-ray observations, they provide an independent and complementary probe based on observational high-energy neutrino data. We further show that future detectors such as IceCube-Gen2 and KM3NeT can significantly improve these constraints, potentially excluding PBHs with masses up to $\sim \mathrm{few} \times 10^{18}\,\mathrm{g}$ composing the entirety of dark matter.

Mukhopadhyay, Mainak [Fermilab; Chicago U., KICP] ↗

DOE OSTI2026

Glauber-Theory Calculations of High-Energy Nuclear Scattering Observables Using Variational Monte Carlo Wave Functions

Experiments using intermediate- to high-energy radioactive nuclear beams present numerous findings. Extracting important properties of physical observables relies on a firm theoretical analysis. Though Glauber theory is believed to work well, no convincing calculation has so far been done. Here, we perform ab initio Glauber theory calculations of both elastic differential cross sections and total reaction cross sections for p+ 12 C, 12 C+ 12 C, and 6 He+ 12 C systems. The wave functions of both 6 He and 12 C are generated by variational Monte Carlo calculations with spatial and spin-isospin correlations induced by realistic two- and three-nucleon potentials. Glauber’s phase-shift function is computed by Monte Carlo integration up to all orders of nucleon-nucleon multiple scatterings. We show an excellent performance of the Glauber description to the selected data on the above systems. We also find that the cumulant expansion of the phase-shift function converges rapidly up to the second order for the above systems. This finding will open up interesting applications for the analysis of high-energy nuclear experiments.

Horiuchi, W. [Osaka Metropolitan University (Japan↗

DOE OSTI2022

Design and demonstration of an economical SRF structure for Continuous Wave (CW), high-energy, Megawatt-class beams

Due to its very high RF-to-beam efficiency, superconducting radiofrequency (SRF) cavities have become the technology of choice for the construction of large linear accelerators (linacs) for basic science applications (examples, ESS and PIP-II). The technology is also attractive for high volume industrial applications such as electron irradiation processing of wastewater and flue gas. However, SRF’s current reliance on liquid helium for cryogenic cooling introduces infrastructural and safety challenges for use in industrial settings. Cryocooler conduction-cooling is a recently developed novel technique for operating SRF cavities without requiring liquid helium. This project aims for technical design and economic assessment of a medium energy, high average power e-beam linac based on the conduction-cooled SRF technique for high volume irradiation treatment of wastewater. The goals of this project are (1) to design a medium energy (10 MeV), high average power (1 MW) electron beam accelerator around the cryocooler conduction-cooled SRF cavity technology, (2) demonstrate the required accelerating voltage on a prototype cavity, and (3) build a cost-model to evaluate capital and operating expense of the accelerator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Multielectrode electrochemical cell for in situ structural characterization of amorphous thin-film catalysts using high-energy X-ray scattering

A multielectrode-based electrochemical cell allows the structural characterization of an amorphous thin-film water oxidation catalyst under various electrochemical potentials using high-energy X-ray scattering and atomic pair distribution function (PDF) techniques. A multielectrode with five electrodes provides a sufficiently low background signal to enable high-energy X-ray scattering (HEXS) measurements and amplifies the extremely low HEXS signals from samples for high-resolution PDF analysis of in situ data from thin-film catalysts. Glassy carbon (GC) creates a relatively low intensity HEXS pattern and is used as a working electrode. Instead of a three-dimensional (3D) porous electrode architecture, the flat geometry of the electrode enables various deposition techniques to be used for the preparation of a highly conductive metal oxide layer. PDF analysis demonstrates high spatial resolution for a 230 nm thick amorphous iridium oxide film deposited on two roughened 60 µm thick GC electrodes. The PDF analysis resolves the domain size and distinguishes changes in fine structure which are directly correlated with the structure and function of the catalysts. In conclusion, the results bring the opportunity to analyze the structure of nanometre-scale amorphous thin-film catalysts in an electrolyte-compatible and compact 3D-printed electrochemical cell in a three-electrode configuration.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Deuterated polyethylene nanowire arrays for high-energy density physics

Abstract The interaction of intense, ultrashort laser pulses with ordered nanostructure arrays offers a path to the efficient creation of ultra-high-energy density (UHED) matter and the generation of high-energy particles with compact lasers. Irradiation of deuterated nanowires arrays results in a near-solid density environment with extremely high temperatures and large electromagnetic fields in which deuterons are accelerated to multi-megaelectronvolt energies, resulting in deuterium–deuterium (D–D) fusion. Here we focus on the method of fabrication and the characteristics of ordered arrays of deuterated polyethylene nanowires. The irradiation of these array targets with femtosecond pulses of relativistic intensity and joule-level energy creates a micro-scale fusion environment that produced $2\times {10}^6$ neutrons per joule, an increase of about 500 times with respect to flat solid CD 2 targets irradiated with the same laser pulses. Irradiation with 8 J laser pulses was measured to generate up to 1.2 × 10 7 D–D fusion neutrons per shot.

Optics↗

DOE OSTI2025

Quantum information meets high-energy physics: input to the update of the European strategy for particle physics

Some of the most astonishing and prominent properties of Quantum Mechanics, such as entanglement and Bell nonlocality, have only been studied extensively in dedicated low-energy laboratory setups. The feasibility of these studies in the high-energy regime explored by particle colliders was only recently shown and has gathered the attention of the scientific community. For the range of particles and fundamental interactions involved, particle colliders provide a novel environment where quantum information theory can be probed, with energies exceeding by about 12 orders of magnitude those employed in dedicated laboratory setups. Furthermore, collider detectors have inherent advantages in performing certain quantum information measurements and allow for the reconstruction of the state of the system under consideration via quantum state tomography. Here, we elaborate on the potential, challenges, and goals of this innovative and rapidly evolving line of research and discuss its expected impact on both quantum information theory and high-energy physics.

Physics↗

DOE OSTI2022

Formation and dissociation of shear-induced high-energy dislocations: insight from molecular dynamics simulations

Solid-phase processing (SPP) allows one to create complex microstructures, not achievable via thermal processing alone. The resulting structures exhibit a rich palette of defects, both thermal and non-thermal, including defect substructures, such as dislocation networks. It is essential to understand the mechanisms of deformation and defect structure formation to guide SPP towards achieving desired microstructures and material properties. In this study, large-scale molecular dynamics simulations are used to investigate the effects of inhomogeneous strain distribution, that mimics deformation conditions of tribological tests, on the evolution of defects under severe shear deformation in polycrystalline Al. Analysis of defect nucleation and reaction pathways reveals that strong geometric constraints suppress the nucleation and slide of low energy dislocation 1/2$\langle110\rangle${111} but promote the nucleation and slide of high energy dislocations, such as [$1\bar1$0] (001) and 1/2 [$1\bar1$$\bar2$]($1\bar1$1). Further, a rough contact surface, characteristic to tribological tests, imposes an inhomogeneous stress field leading to inhomogeneous defect substructures due to location-dependent activation of slip systems. The results suggest that high-energy dislocations can dominate the evolution of grain structures in highly constrained environments, which should be considered in modeling plastic deformation and grain refinement during SPP.

42 ENGINEERING↗

DOE OSTI2021

A theoretical approach for transient shock strengthening in high-energy-density laser compression experiments

In high-energy-density shock compression experiments, the desired state of compression is typically achieved by passing shock waves through a sequence of different materials. Here, a theoretical approach for transiently strengthening such shocks passing through interfaces of experimentally relevant impedance ratios is examined. A semi-analytical method based on characteristics analysis is used to solve the problem of a shock passing from one material to another through an intermediate region of non-uniform impedance; by appropriately designing this region, a greater shock strength can be achieved in the second material for a finite duration than in the absence of this region. When a shock passes into a material of higher impedance, the shock strengthening increases to a maximum before decreasing to an asymptotic value as the strength of the incident shock is increased. For shocks passing into materials of decreasing impedance, the shock strengthening increases monotonically as the strength of the incident shock is increased when the impedance ratio is above a critical threshold. Incorporating multiple intermediate materials can further increase the strength of the transmitted shock, with an exponential discretization of intermediate material impedances being the most effective distribution for strengthening strong shocks. The results suggest that up to 25% and 9% increases in pressure behind the leading shock can be achieved for materials of increasing and decreasing impedance, respectively. The technique is applied to the design of laser-driven dynamic compression experiments, and the results of the analysis are verified via comparison to simulations performed with the HYADES hydrodynamics code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

X-ray imaging methods for high-energy density physics applications

Large scale high-energy density science facilities continue to grow in scale and complexity worldwide. The increase in driver capabilities, including pulsed-power and lasers, continue to push the boundaries of temperature, pressure, and densities, opening up new physics regimes. X-ray imaging is one of the many diagnostic techniques that are used to probe states of matter in these extreme conditions. Improved fabrication and polishing methods have provided improved x-ray microscope performance, while improving detector and x-ray sources now enable pico-second imaging with few micron resolutions. Here this Review will cover x-ray imaging methods, primarily absorption imaging, and their improvements over the last few decades.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Scaling approach to nuclear structure in high-energy heavy-ion collisions

In high-energy heavy-ion collisions, the initial condition of the produced quark-gluon plasma (QGP) and its evolution are sensitive to collective nuclear structure parameters describing the shape and radial profiles of the nuclei. Here, we find a general scaling relation between these parameters and many experimental observables such as elliptic flow, triangular flow, and particle multiplicity distribution. In particular, the ratios of observables between two isobar systems depend only on the differences of these parameters, but not on the details of the final state interactions, hence offering a new way to constrain the QGP initial condition. Using this scaling relation, we show how the structure parameters of $^{96}_{44}$Ru and $^{96}_{40}$Zr conspire to produce the rich centrality dependences of these ratios, as measured by the STAR Collaboration. Our scaling approach demonstrates that isobar collisions are a precision tool to probe the initial condition of heavy-ion collisions, as well as the collective nuclear structures, including the neutron skin, of the atomic nuclei across energy scales.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Real-Time Identification of Oxygen Vacancy Centers in LiNbO 3 and SrTiO 3 during Irradiation with High Energy Particles

Oxygen vacancies are known to play a central role in the optoelectronic properties of oxide perovskites. A detailed description of the exact mechanisms by which oxygen vacancies govern such properties, however, is still quite incomplete. The unambiguous identification of oxygen vacancies has been a subject of intense discussion. Interest in oxygen vacancies is not purely academic. Precise control of oxygen vacancies has potential technological benefits in optoelectronic devices. In this review paper, we focus our attention on the generation of oxygen vacancies by irradiation with high energy particles. Irradiation constitutes an efficient and reliable strategy to introduce, monitor, and characterize oxygen vacancies. Unfortunately, this technique has been underexploited despite its demonstrated advantages. This review revisits the main experimental results that have been obtained for oxygen vacancy centers (a) under high energy electron irradiation (100 keV–1 MeV) in LiNbO 3 , and (b) during irradiation with high-energy heavy (1–20 MeV) ions in SrTiO 3 . In both cases, the experiments have used real-time and in situ optical detection. Moreover, the present paper discusses the obtained results in relation to present knowledge from both the experimental and theoretical perspectives. Our view is that a consistent picture is now emerging on the structure and relevant optical features (absorption and emission spectra) of these centers. One key aspect of the topic pertains to the generation of self-trapped electrons as small polarons by irradiation of the crystal lattice and their stabilization by oxygen vacancies. What has been learned by observing the interplay between polarons and vacancies has inspired new models for color centers in dielectric crystals, models which represent an advancement from the early models of color centers in alkali halides and simple oxides. The topic discussed in this review is particularly useful to better understand the complex effects of different types of radiation on the defect structure of those materials, therefore providing relevant clues for nuclear engineering applications.

36 MATERIALS SCIENCE↗

DOE OSTI2023

High-Energy to Ultrahigh-Energy Neutrino Interactions

The cross sections for neutrino interactions with nucleons have been measured directly in accelerator experiments and through the zenith-angle and energy dependence of neutrino events at the IceCube Neutrino Observatory. Fluxes of high-energy neutrinos are produced at the Large Hadron Collider and by cosmic rays in the atmosphere. High-energy neutrinos also come from astrophysical and cosmic sources. The theory of neutrino interactions is reviewed. Current cross-section measurements and prospects for the future are discussed. The focus here is on neutrino interactions for energies larger than 1 TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗