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At least 721 records · Page 40

Noise suppression for MHD characterization with electron cyclotron emission imaging 1D technique

Significant noise suppression for magnetohydrodynamics (MHD) mode characterization in the spatial and spectral domain is achieved by processing two-dimensional (2D) electron cyclotron emission imaging (ECEI) data with a one-dimensional (1D) ECEI technique using a short time window ($1\;{\text{ms}}$). The technique is applied to detect toroidal Alfven eigenmodes (TAEs) in the temporal spectrum and fit their radial envelope using the data from the DIII-D tokamak W-band 2D ECEI system. Using the data length (time window) of only 1 ${\text{ms}}$, the 1D ECEI can clearly detect the TAEs (~100 ${\text{kHz}}$) on the spectrum, while similar spectrum quality requires ~10 ${\text{ms}}$ data length with the cross power spectrum between two midplane ECEI channels. The 1D ECEI technique also effectively avoids biased fitting when resolving the fine structure of the TAE's radial envelope. The radially spatial resolution of 1D ECEI is constrained by the finite ECE radiation volume of the ECEI receiver. Here, with forward radiation modeling, we find the DIII-D ECEI system can sensitively measure the even parity MHD activities, for which the mode width is >15 mm, and tearing modes (odd parity MHD activities), for which the island full width is >30 mm.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A novel measurement of marginal Alfven Eigenmode stability during high power auxiliary heating in JET

The interaction of Alfven Eigenmodes (AEs) and energetic particles is one of many important factors determining the success of future tokamaks. In JET, eight in-vessel antennas were installed to actively probe stable AEs with frequencies ranging 25-250 kHz and toroidal mode numbers |n| < 20. During the 2019-2020 deuterium campaign, almost 7500 resonances and their frequencies f0, net damping rates \gamma < 0, and toroidal mode numbers were measured in almost 800 plasma discharges. From a statistical analysis of this database, continuum and radiative damping are inferred to increase with edge safety factor, edge magnetic shear, and when including non-ideal effects. Both stable AE observations and their associated damping rates are found to decrease with |n|. Active antenna excitation is also found to be ineffective in H-mode as opposed to L-mode; this is likely due to the increased edge density gradient's effect on accessibility and ELM-related noise's impact on mode identification. A novel measurement is reported of a marginally stable, edge-localized Ellipticity-induced AE probed by the antennas during high-power auxiliary heating (ICRH and NBI) up to 25 MW. NOVA-K kinetic-MHD simulations show good agreement with experimental measurements of f0, \gamma, and n, indicating the dominance of continuum and electron Landau damping in this case. Similar experimental and computational studies are planned for the recent hydrogen and ongoing tritium campaigns, in preparation for the upcoming DT campaign.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Kinetics of the reaction of ferrous ions with hydroxyl radicals in the temperature range 25–300 °C

Here, the kinetics and mechanism of the reaction between OH radicals and ferrous ions in the temperature range 25–300 °C were studied using pulse radiolysis. At temperatures <150 °C the rate of reaction is essentially independent of temperature, while at temperatures >150 °C the activation energy is 45.8 ± 3.0 kJ mol —1 . The change in activation energy is attributed to a change in the dominant mechanism from hydrogen atom transfer (HAT) to dissociative ligand interchange. The kinetic isotope effect (KIE) was measured by repeating experiments in heavy water. A value of 2.9 was measured at room temperature where HAT is the dominant mechanism. The KIE decreases to zero at temperatures > 150 °C as ligand interchange becomes dominant and the O–H bond is no longer involved in the reaction.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Small-𝑥 behavior in QCD from maximal entanglement and conformal invariance

Recent evidence suggests that, at small Bjorken 𝑥, QCD evolution drives the proton into a state of maximal entanglement. If the evolution kernel is assumed to be conformally invariant—as is the case for the Balitsky-Fadin-Kuraev-Lipatov equation—we can describe it by a conformal field theory. Moreover, the central charge 𝑐 of the corresponding conformal field theory emerges as the key parameter governing the 𝑥 dependence of both the entanglement entropy and the structure function. Here we apply the exact Bethe ansatz methods to the quantum spin chain dual to Lipatov’s high energy effective action to extract the central charge of the theory, and find that 𝑐 = 1. This implies the ∼𝑥 −1/3 small 𝑥 behavior for the structure function—the prediction that can be tested at the forthcoming Electron-Ion Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Dispersive optical model analysis of 208 Pb generating a neutron-skin prediction beyond the mean field

In this work, a nonlocal dispersive optical model analysis is carried out for neutrons and protons in 208 Pb. Elastic-scattering angular distributions, total and reaction cross sections, single-particle energies, neutron and proton numbers, the charge distribution, and the binding energy are fitted to extract the neutron and proton self-energies both above and below the Fermi energy. From the single-particle propagator derived from these self-energies, we determine the charge and matter distributions in 208 Pb. The predicted spectroscopic factors are consistent with results from the ($\textit{e,e}'\textit{p}$) reaction and inelastic-electron-scattering data to very high-spin states. Sensible results for the high-momentum content of neutrons and protons are obtained, with protons appearing more correlated, in agreement with experiment and ab initio calculations of asymmetric matter. A neutron skin of 0.25 ± 0.05 fm is deduced. An analysis of several nuclei leads to the conclusion that finite-size effects play a nonnegligible role in the formation of the neutron skin in finite nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Serial crystallography using automated drop dispensing

Automated, pulsed liquid-phase sample delivery has the potential to greatly improve the efficiency of both sample and photon use at pulsed X-ray facilities. In this work, an automated drop on demand (DOD) system that accelerates sample exchange for serial femtosecond crystallography (SFX) is demonstrated. Four different protein crystal slurries were tested, and this technique is further improved here with an automatic sample-cycling system whose effectiveness was verified by the indexing results. Here, high-throughput SFX screening is shown to be possible at free-electron laser facilities with very low risk of cross contamination and minimal downtime. The development of this technique will significantly reduce sample consumption and enable structure determination of proteins that are difficult to crystallize in large quantities. This work also lays the foundation for automating sample delivery.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

New Dimensions in the Theory of Excited States and X-ray Spectra (Final Report)

This Final Technical Report briefly summarizes the achievements during the lifetime of our DOE BES grant DE-FG02-97ER45623. The long-term goal of this project has been the development of quantitative theories of the interaction between radiation and matter, with a focus on x-ray spectroscopies. X-ray spectra have long been among the most important probes of atomic-scale structure and properties of matter, ranging from atoms and molecular systems to condensed matter and exotic states. These spectroscopies are widely used in investigations at the major DOE synchrotron x-ray facilities and related centers world-wide. In addition to fundamental theory, a major goal of our project has been the development of computational software that implements the theory for calculations of x-ray spectra of various materials throughout the periodic table. Due to the complex nature of x-ray spectra, quantitative theory is essential for its interpretation. The theory is challenging since it involves excited state electronic structure and many-body correlation effects that go beyond independent particle approximations like DFT or Hartree-Fock. Moreover, the experimental investigations typically involve a broad range of energy, time, and temperature scales, from the UV-Vis to hard x-ray energies of order 10 4 eV, and temperatures T from ambient up to the warm-dense-matter regime where the Fermi energy kBTF is of order a few eV, i.e., temperatures of order 105 Kelvin. This broad range of experimental conditions has fostered many novel theoretical approaches and computational techniques, many of which we have developed systematically over the duration of the grant. In contrast to the traditional wave-function approach of quantum theory and electronic structure methods, our theoretical approach is based on modern Green's function techniques. This approach is better suited for aperiodic structures, excited states, and broad spectral ranges, since it avoids the computational bottlenecks of sum-over-states approaches, as in the Fermi golden rule. This theoretical framework has been incorporated into efficient, user-friendly x-ray spectroscopy software which is now used routinely worldwide to simulate and analyze spectra. These theoretical tools provide an essential complement to synchrotron and next-generation light sources, which are used to investigate complex materials with ever increasing precision. Moreover, the synergism between theory, computation and experiment contributed by our research enhances scientific understanding and creates opportunities for innovations in materials and energy science and in many fields. As documented in this Report, this research grant has been remarkably successful in achieving these goals. In particular, this grant has supported the development of the x-ray spectroscopy software suite known as FEFF (named for an effective scattering amplitude f eff in the theory). The FEFF codes have become one of the premier tools for quantitative simulations of x-ray spectra as documented by many thousands of citations in the Web of Science and Google-Scholar.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electron and Proton Energization in 3D Reconnecting Current Sheets in Semirelativistic Plasma with Guide Magnetic Field

Abstract Using 3D particle-in-cell simulation, we characterize energy conversion, as a function of guide magnetic field, in a thin current sheet in semirelativistic plasma, with relativistic electrons and subrelativistic protons. There, magnetic reconnection, the drift-kink instability (DKI), and the flux-rope kink instability all compete and interact in their nonlinear stages to convert magnetic energy to plasma energy. We compare fully 3D simulations with 2D in two different planes to isolate reconnection and DKI effects. In zero guide field, these processes yield distinct energy conversion signatures: ions gain more energy than electrons in 2Dxy(reconnection), while the opposite is true in 2Dyz(DKI), and the 3D result falls in between. The flux-rope instability, which occurs only in 3D, allows more magnetic energy to be released than in 2D, but the rate of energy conversion in 3D tends to be lower. Increasing the guide magnetic field strongly suppresses DKI, and in all cases slows and reduces the overall amount of energy conversion; it also favors electron energization through a process by which energy is first stored in the motional electric field of flux ropes before energizing particles. Understanding the evolution of the energy partition thus provides insight into the role of various plasma processes, and is important for modeling radiation from astrophysical sources such as accreting black holes and their jets.

Astronomy & Astrophysics↗

Dielectric Resonator Design for Low Power and Low Temperature Microwave Plasma

Waveguide-based microwave plasmas generally operate at high temperatures (2000 - 6000K)[1], making it difficult to directly interface solid materials with the plasma without significant thermal damage. Dielectric microwave resonators (DMRs), long studied for wave-based manipulation of electromagnetic radiation for telecom and optics, can focus radiation to extremely small mode volumes, creating intense localized fields with low-power input.[2] This phenomenon can be used for applications ranging from efficient plasma electronics to near-ambient plasma-materials interactions. Such DMR-based plasmas have been demonstrated a handful of times in the literature, but the majority of research towards this utilize the lowest frequency resonance mode.[3], [4], [5] By carefully controlling the geometry of cylindrical resonators, a variety of electromagnetic modes can be excited. In this work, COMSOL Multiphysics simulations are used to study the electric field enhancement and absorption properties of CaTiO3 DMRs as a function of geometry and excitation frequency. Whereas previous studies have utilized the HEM111 resonance frequency to drive low power plasma excitation, we find that higher order resonance frequencies are more effective at field enhancement and result in less power loss within the dielectric material, hence less wasted heating. The effectiveness of these modes is also geometry dependent and can be computationally optimized for plasma generation. Complementing these computational efforts, we demonstrate a new closed-system reactor design built in a WR-650 waveguide and experimentally demonstrate the formation of atmospheric argon microwave plasma using < 30 W input power on DMR dimers. We observe a shifting resonance frequency as the DMRs heat in response to microwave excitation and develop a Python-based lock-in mechanism to effectively track the DMR resonance over time, leading to stable plasma operation. We use infrared thermal imaging to monitor the temperature of the DMR dimers and surrounding quartz chamber, demonstrating thermal temperatures < 60 degreesC. Finally, we utilize optical emission spectroscopy (OES) to probe the plasma properties as a function of the resonance mode.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dataset for "Resistance of Boron Nitride Nanotubes to Radiation-Induced Oxidation" as published in The Journal of Physical Chemistry C

We present unprecedented results on the damage thresholds and pathways for boron nitride nanotubes (BNNT) under the influence of energetic electrons in an oxidative gas environment, using an environmental aberration-corrected electron microscope over a range of oxygen pressures. We observe a damage cascade process that resists damage until a higher electron dose, compared with carbon nanotubes, initiating at defect-free BNNT sidewalls and proceeding through the conversion from crystalline nanotubes to amorphous boron nitride (BN), resisting oxidation throughout. We compare with prior results on the oxidation of carbon nanotubes and present a model that attributes the onset of damage in both cases to a physisorbed oxygen layer that reduces the threshold for damage onset. Surprisingly, increased temperatures offer protection against damage, as do electron dose rates that significantly exceed the oxygen dose rates, and our model attributes both effects to a physisorbed oxygen population.

Adsorption↗

Effect of THz-bandwidth incoherent laser radiation on bulk damage in potassium dihydrogen phosphate crystals

Abstract The laser-damage performance characteristics of potassium dihydrogen phosphate (KDP) samples under exposure to a distinctive broadband incoherent laser pulse are investigated. A laser system providing such pulses is intended to explore improved energy-coupling efficiency on the target in direct-drive inertial confinement fusion experiments and provides incoherent bandwidths as large as 10 THz in a nanosecond pulse. A consequence of this bandwidth is very rapid fluctuations in intensity capable of reaching maxima much larger than the average intensity within the pulse. A custom damage-test station has been built to perform measurements with broadband incoherent pulses in order to determine what effect these fast and high-intensity oscillations have on laser damage. A set of experiments under different bandwidth and beam configurations shows the effect to be minimal when probing bulk damage in KDP. Modeling indicates this behavior is supported by long electron-relaxation times compared to the source-field fluctuations, following excitation of individual electrons in the conduction band. The results help better understand the laser-induced–damage mechanisms in KDP, and its ability to operate in broadband temporally incoherent high-energy lasers that may be particularly suitable for future laser-fusion energy systems.

36 MATERIALS SCIENCE↗

Chromium isotope fractionation during reduction of Chromium(VI) by Iron(II/III)-bearing clay minerals

Chromium stable isotope ratios are used to trace the reduction of Cr(VI) to Cr(III) in both ancient and modern systems. However, quantitative interpretation of Cr isotopic signatures has been stymied by the large variability in isotopic fractionation factors for Cr(VI) reduction by different reductants. Here we determine Cr isotope fractionation factors during Cr(VI) reduction by Fe(II/III)-bearing clay minerals, which are abundant in subsurface environments. Several variables were tested: pH, total Fe content of the clay, and the fraction of reduced Fe within the clay (Fe(II)/Fe(total)). The latter controls the standard reduction potential of the clay. Our results demonstrate that neither pH nor total Fe content of the clay have major effects on isotopic fractionation. In contrast, as the effective standard reduction potential of the clay and thus the standard free energy of Cr(VI) reduction become more negative, Cr isotope fractionation factors decrease in magnitude from - 4.9 to -1.3‰ according to a linear free energy relationship. This linear free energy relationship can be predicted from Marcus electron transfer theory and allows first-order predictions of Cr isotope fractionation factors to be made from the standard reduction potential or Fe(II)/Fe(total) of a clay, potentially improving our ability to model Cr isotope signatures in geochemical systems. Chromium is the first isotope system to show such a linear free energy relationship over a diverse range of reductants, including both aqueous and solid-phase reductants, and may provide a model for determining other redox-driven kinetic isotope effects in environmentally important isotope systems.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

CoSyR: A novel beam dynamics code for the modeling of synchrotron radiation effects

The self-consistent nonlinear dynamics of a relativistic charged particle beam interacting with its complete self-fields is a fundamental problem underpinning many of the accelerator design issues in high brightness beam applications, as well as the development of advanced accelerators. Particularly, synchrotron radiation induced effects in a magnetic dispersive beamline element can lead to collective beam instabilities and emittance growth. A novel beam dynamics code is developed based on a Lagrangian method for the calculation of the particles’ radiation near-fields using wavefront/wavelet meshes via the Green’s function of the Maxwell equations. These fields are then interpolated onto a moving mesh for dynamic update of the beam. This method allows radiation co-propagation and self-consistent interaction with the beam in 2D/3D simulations at greatly reduced numerical errors. Multiple levels of parallelisms are inherent in this method and implemented in our code CoSyR to enable at-scale simulations of nonlinear beam dynamics on modern computing platforms using MPI, multi-threading, and GPUs. Here, the current 2D implementation of CoSyR has been used to evaluate the transverse and longitudinal coherent radiation effects on the beam and to investigate beam optics designs proposed for mitigation of beam brightness degradation in a magnetic bunch compressor. In this paper, the design of CoSyR, as well as the benchmark with other coherent synchrotron radiation models, are described and discussed. Extension of the core algorithms to 3D is possible and planned.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Intrinsic nonlocality of spin- and polarization-resolved probabilities in strong-field quantum electrodynamics

Spin and polarization are central to precision tests of fundamental physics and for interpreting radiation from astrophysical sources and ultraintense laser-matter experiments. Here, focusing on the fundamental process of nonlinear Compton scattering, we demonstrate that a key assumption underlying current strong-field quantum electrodynamics models, i.e., that emission can be treated as an instantaneous random event sampled from a local differential rate, is inconsistent once emission angles, electron spin, and/or photon polarization are resolved. Namely, even in strictly constant and uniform fields , the resulting fully differential distribution is sign indefinite, yielding negative inferred probabilities. The physical reason is that the photon emission probability builds up over a finite length of the electron trajectory, the formation region, during which the electron direction changes by roughly the same small angle that defines the radiation cone. Therefore, we put forward a new method where we integrate over this formation region analytically to obtain a physically consistent electron spin and photon polarization model. We show that the implementation of our model is compatible with existing Monte Carlo and particle-in-cell workflows. Simulations of a GeV-class electron-laser collision accessible at current petawatt facilities and of emission in a pulsarlike magnetic field are shown to reveal spin and polarization patterns that differ even qualitatively from state-of-the-art local models. In particular, our new model predicts substantial angle-dependent circular photon polarization where the well-known collinear-emission approach yields none, and a pronounced helicity bias in the recoiling electrons absent from current predictions. These findings have direct implications for upcoming strong-field QED experiments and for interpreting polarized radiation from extreme astrophysical environments.

astrophysical electromagnetic fields↗

Time-dependent density-functional-theory calculations of the nonlocal electron stopping range for inertial confinement fusion applications

Nonlocal electron transport is important for understanding laser-target coupling for laser-direct-drive (LDD) inertial confinement fusion (ICF) simulations. Current models for the nonlocal electron mean free path in radiation-hydrodynamic codes are based on plasma-physics models developed decades ago; improvements are needed to accurately predict the electron conduction in LDD simulations of ICF target implosions. Here we utilized time-dependent density functional theory (TD-DFT) to calculate the electron stopping power (SP) in the so-called conduction-zone plasmas of polystyrene in a wide range of densities and temperatures relevant to LDD. Compared with the modified Lee-More model, the TD-DFT calculations indicated a lower SP and a higher stopping range for nonlocal electrons. We fit these electron SP calculations to obtain a global analytical model for the electron stopping range as a function of plasma conditions and the nonlocal electron kinetic energy. This model was implemented in the one-dimensional radiation-hydrodynamic code LILAC to perform simulations of LDD ICF implosions, which are further compared with simulations by the standard modified Lee-More model. In conclusion, results from these integrated simulations are discussed in terms of the implications of this TD-DFT-based mean-free-path model to ICF simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Experimental and theoretical study of energy transfer in a chromophore triad: What makes modeling dynamics successful?

Simulation of electronic dynamics in realistically large molecular systems is a demanding task that has not yet achieved the same level of quantitative prediction already realized for its static counterpart. This is particularly true for processes occurring beyond the Born–Oppenheimer regime. Non-adiabatic molecular dynamics (NAMD) simulations suffer from two convoluted sources of error: numerical algorithms for dynamics and electronic structure calculations. While the former has gained increasing attention, particularly addressing the validity of ad hoc methodologies, the effect of the latter remains relatively unexplored. Indeed, the required accuracy for electronic structure calculations to reach quantitative agreement with experiment in dynamics may be even more strict than that required for static simulations. In this study, we address this issue by modeling the electronic energy transfer in a donor–acceptor–donor (D–A–D) molecular light harvesting system using fewest switches surface hopping NAMD simulations. In the studied system, time-resolved experimental measurements deliver complete information on spectra and energy transfer rates. Subsequent modeling shows that the calculated electronic transition energies are “sufficiently good” to reproduce experimental spectra but produce over an order of magnitude error in simulated dynamical rates. We further perform simulations using artificially shifted energy gaps to investigate the complex relationship between transition energies and modeled dynamics to understand factors affecting non-radiative relaxation and energy transfer rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sandia National Laboratories FY20 Progress Report

The Energetic Neutrons campaign led by Sandia National Laboratories (SNL) had a successful year testing electronic devices and printed circuit boards (PCBs) under 14 MeV neutron irradiation at OMEGA. During FY20 the Energetic Neutrons campaign increased the number and complexity of experiments, continued collaborations with external organizations, and generated knowledge that supports SNL’s National Security mission. In FY20 the Energetic Neutrons campaign was executed by an early career team led by a new PI. The SNL team members were trained to take over new responsibilities during the shot day to increase the number and complexity of experiments in the campaigns. Also, in FY20 for the first time the Energetic Neutrons campaign had a graduate student contributing with pre and post-irradiation characterizations at SNL of the semiconductor devices irradiated at OMEGA. In FY20 SNL collaborated with the Air Force Nuclear Weapons Center (AFNWC) and supported experiments related to radiation effects in semiconductor devices. SNL also gave the opportunity to ride along to Los Alamos National Laboratory and multiple scientists from MIT and LLE. SNL continued using the last two generations of the Neutron Effects Diagnostics (NEDs) to field active and passive experiments but also redesigned the latest generation of the NEDs to accommodate larger components and improve the vacuum sealing as shown in figure 1a. The redesigned NEDs allowed SNL to perform active tests of a high voltage (HV) PCB for the first time at OMEGA; where signals before, during and after the irradiation were recorded. The HV PCB installed in one of the SNL NEDs is shown in figure 1b where a 3D-printed nosecone was used to check for mechanical and electrical interference. Passive irradiations of multiple components were followed up with leakage current, gain measurements and radiation-induced defect characterization.

42 ENGINEERING↗

Solute segregation and precipitation across damage rates in dual-ion–irradiated T91 steel

We report that dual-ion irradiations using 5.0 MeV defocused Fe 2+ ions and co-injected energy degraded 2.00 to 2.85 MeV He 2+ ions were conducted on a Fe9CrMo ferritic-martensitic steel T91 to 17 dpa at a damage rate range of 5 × 10 -5 dpa/s to 3 × 10 -3 dpa/s at 445°C, followed by characterization of the microstructure using conventional and scanning transmission electron microscopy. Radiation induced Ni/Si clusters and radiation induced segregation were quantified using energy dispersive X-ray spectroscopy at each condition and were compared with the same material irradiated in the BOR-60 reactor and in the as-received condition. No significant Cr segregation was found at lath boundaries after dual-ion irradiation, while Ni and Si enrichments both decreased with increasing damage rate leading to a sharp decrease in the density of Ni/Si clusters with damage rate. Increased point defect recombination at higher ion damage rates likely reduced the Ni/Si cluster density compared with BOR-60. Although the overall vacancy concentration and diffusion are enhanced by the irradiation damage rate, the lack of time for thermal diffusion and ballistic displacements of solutes are significant limiting factors for Ni/Si cluster formation. This work demonstrates the effect of irradiation damage rate on elemental segregation and clustering when using ion irradiation to simulate reactor irradiation.

36 MATERIALS SCIENCE↗