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At least 1,657 records · Page 92

The Force-Free Magnetosphere of a Rotating Black Hole

We revisit the Blandford-Znajek process and solve the fundamental equation that governs the structure of the steady-state force-free magnetosphere around a Kerr black hole. The solution depends on the distributions of the magnetic field angular velocity and the poloidal electric current. These are not arbitrary. They are determined self-consistently by requiring that magnetic field lines cross smoothly the two singular surfaces of the problem: the inner "light surface" located inside the ergosphere and the outer "light surface" which is the generalization of the pulsar light cylinder.We find the solution for the simplest possible magnetic field configuration, the split monopole, through a numerical iterative relaxation method analogous to the one that yields the structure of the steady-state axisymmetric force-free pulsar magnetosphere. We obtain the rate of electromagnetic extraction of energy and confirm the results of Blandford and Znajek and of previous time-dependent simulations. Furthermore, we discuss the physical applicability of magnetic field configurations that do not cross both "light surfaces."

Contopoulos, Ioannis↗

Multidimensional modeling of fuel-cladding friction in an LWR fuel rod

Solving finite element problems with friction often increases the level of difficulty to obtain properly converged solutions. This type of challenge becomes more salient when advanced, possibly multiscale, material models are employed to capture the thermomechanical behavior of fuel and cladding materials. Here the present work details our recent developments in a nuclear fuel performance finite element code for the systematic consideration of friction in nuclear reactor finite element simulations. We show the application of friction and its effects on the mechanics of light-water reactor rods accounting for various fuel constitutive modeling techniques, model dimensionalities, pellet assumed geometries, and power conditions. In particular, we focus on the fuel rod mechanical behavior as it relates to fuel constitutive models, sensitivity to the coefficient of friction, pellet states of stress, and rod elongation. We discuss the trade-offs between the various multidimensional modeling options and highlight the relevance of frictional effects in the prediction of the fuel rod deformation and interfacial stresses. To relate our modeling results with actual reactor operation, simulations including frictional effects are compared with fuel rod elongation experimental data and some challenges for carrying out a full validation of the axial mechanics are discussed.

42 ENGINEERING↗

Phase-field simulations of fission gas bubbles in high burnup UO2 during steady-state and LOCA transient conditions

To improve the economics of commercial nuclear energy generation, U.S. utilities are currently seeking licensing approval to operate UO2 fuel to higher burnups. One significant safety issue that must be addressed to obtain approval is the potential for fine fragmentation/pulverization of the fuel during a loss-of-coolant accident (LOCA). It has been hypothesized this is caused by the rapid increase of pressure in fission gas bubbles in the high burnup region of the fuel. To better understand this phenomenon, a novel phase-field model of the fission gas bubble microstructure in UO2 has been developed and implemented in Idaho National Laboratory's Marmot application for phase-field simulation of nuclear materials. Simulations of bubble growth in the high burnup region during steady-state conditions showed that initially overpressurized bubbles decreased in pressure during growth, but still remained above equilibrium pressure. During a LOCA transient, simulations of bubbles in the high burnup region showed that bubble size did not change significantly, and the pressure increase due to the transient was calculated and passed to a phase-field model of fracture.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Conjectures about the Chiral Phase Transition in QCD from Anomalous Multi-Instanton Interactions

To date numerical simulations of lattice QCD have not found a chiral phase transition of first order that is expected to occur for sufficiently light pions. We show how the restoration of an exact global chiral symmetry can strongly decrease the breaking of the approximate, anomalous U A ( 1 ) symmetry. This is testable on the lattice through simulations for one through four flavors. In QCD a small breaking of the U A ( 1 ) symmetry in the chirally symmetric phase generates novel experimental signals. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sirepo : an open-source cloud-based software interface for X-ray source and optics simulations

Sirepo , a browser-based GUI for X-ray source and optics simulations, is presented. Such calculations can be performed using SRW ( Synchrotron Radiation Workshop ), which is a physical optics computer code, allowing simulation of entire experimental beamlines using the concept of a `virtual beamline' with accurate treatment of synchrotron radiation generation and propagation through the X-ray optical system. SRW is interfaced with Sirepo by means of a Python application programming interface. Sirepo supports most of the optical elements currently used at beamlines, including recent developments in SRW . In particular, support is provided for the simulation of state-of-the-art X-ray beamlines, exploiting the high coherence and brightness of modern light source facilities. New scientific visualization and reporting capabilities have been recently implemented within Sirepo , as well as automatic determination of electron beam and undulator parameters. Publicly available community databases can be dynamically queried for error-free access to material characteristics. These computational tools can be used for the development and commissioning of new X-ray beamlines and for testing feasibility and optimization of experiments. The same interface can guide simulation on a local computer, a remote server or a high-performance cluster. Sirepo is available online and also within the NSLS-II firewall, with a growing number of users at other light source facilities. Our open source code is available on GitHub.

99 GENERAL AND MISCELLANEOUS↗

AZO/Ag/AZO anode for resonant cavity red, blue, and yellow organic light emitting diodes

Indium tin oxide (ITO) is the transparent electrode of choice for organic light-emitting diodes (OLEDs). Replacing ITO for cost and performance reasons is a major drive across optoelectronics. In this work, we show that changing the transparent electrode on red, blue, and yellow OLEDs from ITO to a multilayer buffered aluminium zinc oxide/silver/aluminium zinc oxide (AZO/Ag/AZO) substantially enhances total output intensity, with better control of colour, its constancy, and intensity over the full exit hemisphere. The thin Ag containing layer induces a resonant cavity optical response of the complete device. This is tuned to the emission spectra of the emissive material while minimizing internally trapped light. A complete set of spectral intensity data is presented across the full exit hemisphere for each electrode type and each OLED colour. Emission zone modelling of output spectra at a wide range of exit angles to the normal was in excellent agreement with the experimental data and hence could, in principle, be used to check and adjust production settings. These multilayer transparent electrodes show significant potential for both eliminating indium from OLEDs and spectrally shaping the emission.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

High quality transmission Kikuchi diffraction analysis of deformed alloys - Case study

Modern scanning electron microscopes (SEM) equipped with thermally assisted field emission guns (Schottky FEG) are capable of imaging with a resolution in the range of several nanometers or better. Simultaneously, the high electron beam current can be used, which enables fast chemical and crystallographic analysis with a higher resolution than is normally offered by SEM with a tungsten cathode. The current resolution that limits the EDS and EBSD analysis is related to materials' physics, particularly to the electron-specimen interaction volume. The application of thin, electron-transparent specimens, instead of bulk samples, improves the resolution and allows for the detailed analysis of very fine microstructural features. Beside the typical imaging mode, it is possible to use a standard EBSD camera in such a configuration that only transmitted and scattered electrons are detected. This modern approach was successfully applied to various materials giving rise to significant resolution improvement, especially for the light element magnesium based alloys. This paper presents an insight into the application of the transmission Kikuchi diffraction (TKD) technique applied to the most troublesome, heavily-deformed materials. In particular, the values of the highest possible acquisition rates for high resolution and high quality mapping were estimated within typical imaging conditions of stainless steel and magnesium-yttrium alloy. - Highlights: •Monte Carlo simulations were used to simulate EBSD camera intensity for various measuring conditions. •Transmission Kikuchi diffraction parameters were evaluated for highly deformed, light and heavy elements based alloys. •High quality maps with 20 nm spatial resolution were acquired for Mg and Fe based alloys. •High speed TKD measurements were performed at acquisition rates comparable to the reflection EBSD.

36 MATERIALS SCIENCE↗

Biological processes and optical measurements near the sea surface: Some issues relevant to remote sensing

The advent of remote sensing, the develpmemt of new optical instrumentation, and the associated advances in hydrological optics have transformed oceanography; it is now feasible to describe ocean-scale biogeochemical dynamcis from satellite observations, verified and complemented by measurements from optical sensors on profilers, moorings, and drifters. Only near-surface observations are common to both remote sensing and in situ observation, so it is critical to understand processes in the upper euphotic zone. Unfortunately, the biological principles that must be used to interpret optical variability near the sea surface are weaker than we would like, because relatively few experiments and analyses have examined bio-optical relationships under high irradiance characteristic of the upper optical depth. Special consideration of this stratum is justified, because there is good evidence that bio-optical relationships are altered near the surface; (1) the fluorescence yield from chlorophyll declines, leading to bias in the estimation of pigment from fluorometry; (2) the modeled relationship between solar-stimulated fluorecence and photosynthesis seems to deviate significantly from that presented for the lower euphotic zone; and (3) carbon-specific and cellular attenuation cross sections of phytoplankton change substantially during exposures to bright light. Even the measurement of primary productivity is problematic near the sea surface, because vertical mixing is not simulated and artifactual inhibition of photosynthesis can result. These problems can be addressed by focusing more sampling effort, experimental simulation, and analytical consideration on the upper optical depth, and by shortening timescales for the measurement of marine photosynthesis. Special efforts to study near-surface processes are justified, because new bio-optical algorithms will require quantitaitve descriptions of the responses of phytoplankton to bright light.

Cullen, John J.↗

High-burnup boiling water reactor steady-state operating conditions and fuel performance analysis

The primary operational costs for existing nuclear reactors are plant operation costs, maintenance costs, and fuel costs, all of which are influenced by the materials used and the design of the reactor core. Optimizing core design parameters—including burnup limits and enrichment levels—can lengthen cycles, reduce outages, reduce reload batch fractions and spent fuel storage requirements, and lower maintenance and operating expenses, thereby enhancing economic viability. Furthermore, developing higher-fidelity tools to simulate these parameters enables better identification of the available margin, improves overall plant safety, and improves the understanding a given plant’s responses to accident scenarios. Here, in the US, much of the research and development focus has traditionally been on pressurized water reactors (PWRs), but boiling water reactors (BWRs) comprise approximately one-third of the US reactor fleet. Modeling and simulation advances for BWRs and PWRs—particularly those achieved through the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program—are crucial to the long-term viability of the light–water reactor industry. A key research area of the high burnup and increased enriched fuel initiative is focused on addressing issues related to postulated loss-of-coolant accident (LOCA) scenarios. NEAMS has dedicated significant effort to enhancing tools to better support BWRs. A current focus is showcasing the BWR framework for high-burnup LOCA analysis. This high-fidelity steady-state analysis is a first step toward demonstrating a best-estimate, pin-by-pin high-burnup BWR LOCA analysis to assess full-core cladding rupture behavior for a representative BWR. The objective of this effort is to provide a modeling capability that will help elucidate and provide a best-estimate evaluation for cladding rupture susceptibility in BWRs. This modeling capability could then be used to prevent and/or mitigate cladding ruptures in postulated accident scenarios without penalizing operational parameters. Additionally, the results of this work will help identify strategies for finding additional margins or potentially limiting cladding ruptures through core design optimizations to enable more efficient core designs.

Capps, Nathan [Oak Ridge National Laboratory (ORNL↗

On the control of electron heating for optimal laser radiation pressure ion acceleration

We study the onset of electron heating in intense laser–solid interactions and its impact on the spectral quality of radiation pressure accelerated ions in both hole boring and light sail regimes. Two- and three-dimensional particle-in-cell (PIC) simulations are performed over a wide range of laser and target parameters and reveal how the pulse duration, profile, polarization and target surface stability control the electron heating, the dominant ion acceleration mechanisms and the ion spectra. We find that the onset of strong electron heating is associated with the growth of the Rayleigh–Taylor-like instability at the front surface and must be controlled to produce high-quality ion beams, even when circularly polarized lasers are employed. We define a threshold condition for the maximum duration of the laser pulse that allows mitigation of electron heating and radiation pressure acceleration of narrow energy spread ion beams. The model is validated by three-dimensional PIC simulations, and the few experimental studies that reported low energy spread radiation pressure accelerated ion beams appear to meet the derived criteria. The understanding provided by our work will be important in guiding future experimental developments, for example for the ultrashort laser pulses becoming available at state-of-the-art laser facilities, for which we predict that proton beams with $\sim$ 150–250 MeV, $\sim$ 30% energy spread, and a total laser-to-proton conversion efficiency of $\sim$ 20% can be produced.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Linear and Nonlinear X-ray Spectra of Chiral Molecules: X-ray Circular Dichroism, Sum- and Difference-Frequency Generation of Fenchone and Cysteine

Recent advancements in X-ray light sources enable element-sensitive nonlinear spectroscopies for probing molecular chirality. We simulate X-ray absorption spectroscopy, X-ray circular dichroism (XCD), and nonlinear optical/X-ray SFG and DFG (OX SFG/DFG) signals for two prototypical chiral molecules, fenchone and cysteine. Furthermore, our multireference simulations reproduce experimental data and reveal how novel X-ray spectroscopies exploit the site- and element-sensitivity of X-rays to uncover molecular asymmetry. The XCD spectra show strong asymmetries at chiral centers, while distant atoms contribute weaker signals. The OX SFG/DFG signals, under fixed resonant optical excitation, strongly depend on the core and valence excitations. This allows us to introduce two-dimensional (2D) chirality-sensitive valence-core spectroscopy, which provides insight into the overlap between valence orbitals and local molecular asymmetry. Finally, our estimates using realistic laser and X-ray pulse parameters demonstrate that such nonlinear experiments are feasible at XFELs, offering a promising tool for investigating chiral molecules.

Circular dichroism spectroscopy↗

Advances and Promises of Layered Halide Hybrid Perovskite Semiconductors

Layered halide hybrid organic–inorganic perovskites (HOP) have been the subject of intense investigation before the rise of three-dimensional (3D) HOP and their impressive performance in solar cells. Recently, layered HOP have also been proposed as attractive alternatives for photostable solar cells and revisited for light-emitting devices. Here, we combine classical solid-state physics concepts with simulation tools based on density functional theory to overview the main features of the optoelectronic properties of layered HOP. A detailed comparison between layered and 3D HOP is performed to highlight differences and similarities. In the same way as the cubic phase was established for 3D HOP, here we introduce the tetragonal phase with D 4h symmetry as the reference phase for 2D monolayered HOP. It allows for detailed analysis of the spin–orbit coupling effects and structural transitions with corresponding electronic band folding. We further investigate the effects of octahedral tilting on the band gap, loss of inversion symmetry and possible Rashba effect, quantum confinement, and dielectric confinement related to the organic barrier, up to excitonic properties. Altogether, this paper aims to provide an interpretive and predictive framework for 3D and 2D layered HOP optoelectronic properties.

14 SOLAR ENERGY↗

Nutrient transport suggests an evolutionary basis for charged archaeal surface layer proteins

Surface layers (S-layers) are two-dimensional, proteinaceous, porous lattices that form the outermost cell envelope component of virtually all archaea and many bacteria. Despite exceptional sequence diversity, S-layer proteins (SLPs) share important characteristics such as their ability to form crystalline sheets punctuated with nano-scale pores, and their propensity for charged amino acids, leading to acidic or basic isoelectric points. However, the precise function of S-layers, or the role of charged SLPs and how they relate to cellular metabolism is unknown. Nano-scale lattices affect the diffusion behavior of low-concentration solutes, even if they are significantly smaller than the pore size. Here, we offer a rationale for charged S-layer proteins in the context of the structural evolution of S-layers. Using the ammonia-oxidizing archaea (AOA) as a model for S-layer geometry, and a 2D electrodiffusion reaction computational framework to simulate diffusion and consumption of the charged solute ammonium (NH 4 + ), we find that the characteristic length scales of nanoporous S-layers elevate the concentration of NH 4 + in the pseudo-periplasmic space. Our simulations suggest an evolutionary, mechanistic basis for S-layer charge and shed light on the unique ability of some AOA to oxidize ammonia in environments with nanomolar NH 4 + availability, with broad implications for comparisons of ecologically distinct populations.

59 BASIC BIOLOGICAL SCIENCES↗

Floquet engineering of strongly driven excitons in monolayer tungsten disulfide

Interactions of quantum materials with strong-laser fields can induce exotic nonequilibrium electronic states. Monolayer transition-metal dichalcogenides, a new class of direct-gap semiconductors with prominent quantum confinement, offer exceptional opportunities toward Floquet engineering of quasiparticle electron-hole states, or excitons. Strong-field driving has a potential to achieve enhanced control of electronic band structure, thus a possibility to open a new realm of exciton light-matter interactions. However, experimental implementation of strongly-driven excitons has so far remained out of reach. Here, we use mid-infrared laser pulses below the optical bandgap to excite monolayer tungsten disulfide up to a field strength of 0.3 V/nm, and demonstrate strong-field light dressing of excitons in the excess of a hundred millielectronvolt. Our high-sensitivity transient absorption spectroscopy further reveals formation of a virtual absorption feature below the 1s-exciton resonance, which is assigned to a light-dressed sideband from the dark 2p-exciton state. Quantum-mechanical simulations substantiate the experimental results and enable us to retrieve real-space movies of the exciton dynamics. Here, this study advances our understanding of the exciton dynamics in the strong-field regime, and showcases the possibility of harnessing ultrafast, strong-field phenomena in device applications of two-dimensional materials.

36 MATERIALS SCIENCE↗

Influence of chemical ordering on the thermal conductivity and electronic relaxation in FePt thin films in heat assisted magnetic recording applications

Here, we report on the out-of-plane thermal conductivities of tetragonal L1 0 FePt (001) easy-axis and cubic A1 FePt thin films via time-domain thermoreflectance over a temperature range from 133 K to 500 K. The out-of-plane thermal conductivity of the chemically ordered L10 phase with alternating Fe and Pt layers is ~23% greater than the thermal conductivity of the disordered A1 phase at room temperature and below. However, as temperature is increased above room temperature, the thermal conductivities of the two phases begin to converge. Molecular dynamics simulations on model FePt structures support our experimental findings and help shed more light into the relative vibrational thermal transport properties of the L1 0 and A1 phases. Furthermore, unlike the varying temperature trends in the thermal conductivities of the two phases, the electronic scattering rates in the out-of-plane direction of the two phases are similar for the temperature range studied in this work.

36 MATERIALS SCIENCE↗

Simulating highly eccentric common envelope jet supernova impostors

We conduct three-dimensional hydrodynamical simulations of eccentric common envelope jet supernova (CEJSN) impostors, i.e. a neutron star that crosses through the envelope of a red supergiant star on a highly eccentric orbit and launches jets as it accretes mass from the envelope. Because of numerical limitations, we apply a simple prescription where we inject the assumed jets’ power into two opposite conical regions inside the envelope. We find the outflow morphology to be very complicated, clumpy, and non-spherical, having a large-scale symmetry only about the equatorial plane. The outflow morphology can substantially differ between simulations that differ by their jets’ power. We estimate by simple means the light curve to be very bumpy, to have a rise time of one to a few months, and to slowly decay in about a year to several years. These eccentric CEJSN impostors will be classified as ‘gap’ objects, i.e. having a luminosity between those of classical novae and typical supernovae (termed also ILOTs for intermediate luminosity optical transients). We strengthen a previous conclusion that CEJSN impostors might account for some peculiar ILOTs, in particular those that might repeat over time-scales of months to years.

79 ASTRONOMY AND ASTROPHYSICS↗

Intergalactic magnetic field studies by means of γ -ray emission from GRB 190114C

The presence of delayed GeV emission after a strong transient, such as a gamma-ray burst (GRB), in the very-high energy (VHE) E > 100 GeV band can be the signature of a nonzero magnetic field in the intergalactic medium. Here we used a synchrotron self-Compton multiwavelength model to infer an analytical description of the intrinsic VHE spectrum (corrected for absorption by the extragalactic background light) of GRB 190114C to predict the light curves and spectral energy distributions of the delayed emission with Monte Carlo simulations for different intergalactic magnetic field (IGMF) configurations (strengths B = 8 × 10 -21 G, 10 -20 G, 3 × 10 -20 G and correlation length $\lambda$ > 1 Mpc), and compared them with the Fermi Large Area Telescope (Fermi LAT) limits computed for several exposure times. We found that the Fermi LAT is not sensitive enough to constrain any IGMF strengths using GRB 190114C.

79 ASTRONOMY AND ASTROPHYSICS↗

Spacetime dynamics of a Higgs vacuum instability during inflation

A remarkable prediction of the Standard Model is that, in the absence of corrections lifting the energy density, the Higgs potential becomes negative at large field values. If the Higgs field samples this part of the potential during inflation, the negative energy density may locally destabilize the spacetime. Here, we use numerical simulations of the Einstein equations to study the evolution of inflation-induced Higgs fluctuations as they grow towards the true (negative-energy) minimum. Our simulations show that forming a single patch of true vacuum in our past light cone during inflation is incompatible with the existence of our Universe; the boundary of the true vacuum region grows outward in a causally disconnected manner from the crunching interior, which forms a black hole. We also find that these black hole horizons may be arbitrarily elongated—even forming black strings—in violation of the hoop conjecture. Furthermore, by extending the numerical solution of the Fokker-Planck equation to the exponentially suppressed tails of the field distribution at large field values, we derive a rigorous correlation between a future measurement of the tensor-to-scalar ratio and the scale at which the Higgs potential must receive stabilizing corrections in order for the Universe to have survived inflation until today.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗