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At least 559 records · Page 31

Thermodynamic properties of ε -Fe with thermal electronic excitation effects on vibrational spectra

The thermodynamic properties of hexagonal-close-packed iron (ε–Fe) are essential for investigating the internal structure and dynamic properties of planetary cores. Despite their importance to planetary sciences, experimental investigations of ε–Fe at relevant conditions are still challenging. Therefore, ab initio calculations are crucial to elucidating the thermodynamic properties of this system. Here, we use a free energy calculation scheme based on the phonon gas model compatible with temperature-dependent phonon frequencies. We investigate the effects of electronic thermal excitations, which introduces a temperature dependence on phonon frequencies, and the implication for the thermodynamic properties of ε–Fe at extreme pressure (P) and temperature (T) conditions. We disregard phonon-phonon interactions, i.e., anharmonicity and their effect on phonon frequencies. Nevertheless, the current scheme is also applicable to T -dependent anharmonic frequencies. We conclude that the impact of thermal electronic excitations on vibrational properties is not significant up to ~4000 K at 200 GPa but should not be ignored at higher temperatures or pressures. However, the static free energy F st must always include the effect of thermal excitation fully in a continuum of T. Furthermore, our results for isentropic equations of state show good agreement with data from recent ramp compression experiments up to 1400 GPa conducted at the National Ignition Facility.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Clocking Femtosecond Collisional Dynamics via Resonant X-Ray Spectroscopy

Electron-ion collisional dynamics is of fundamental importance in determining plasma transport properties, nonequilibrium plasma evolution, and electron damage in diffraction imaging applications using bright x-ray free-electron lasers (FELs). Here in this paper, we describe the first experimental measurements of ultrafast electron impact collisional ionization dynamics using resonant core-hole spectroscopy in a solid-density magnesium plasma, created and diagnosed with the Linac Coherent Light Source x-ray FEL. By resonantly pumping the 1s → 2p transition in highly charged ions within an optically thin plasma, we have measured how off-resonance charge states are populated via collisional processes on femtosecond time scales. We present a collisional cross section model that matches our results and demonstrates how the cross sections are enhanced by dense-plasma effects including continuum lowering. Nonlocal thermodynamic equilibrium collisional radiative simulations show excellent agreement with the experimental results and provide new insight on collisional ionization and three-body-recombination processes in the dense-plasma regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A.I. for nuclear physics

Nuclear science is concerned with the understanding of the nature of matter, its basic constituents and their interaction to form the elements and the properties we observe. This includes the forms of matter we see around us and also exotic forms such as those that existed in the first moments after the Big Bang and that exist today inside neutron stars. The techniques, tools, and expertise needed for nuclear physics (NP) research are therefore diverse in nature. State-of-the art accelerators are being developed to illuminate the dynamical basis of the core of the atom in terms of the fundamental constituents called quarks and gluons and to increase the number of isotopes with known properties. This scientific infrastructure is reaching scales and complexities that require computational methods for tasks such as anomaly detection in operational data. New methodologies are needed to detect anomalies and to optimize operating parameters, predict failures as well as to discover new optimization algorithms.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Instabilities and Mixing in Inertial Confinement Fusion

By imploding fuel of hydrogen isotopes, inertial confinement fusion (ICF) aims to create conditions that mimic those in the Sun's core. This is fluid dynamics in an extreme regime, with the ultimate goal of making nuclear fusion a viable clean energy source. The fuel must be reliably and symmetrically compressed to temperatures exceeding 100 million degrees Celsius. After the best part of a century of research, the foremost fusion milestone was reached in 2021, when ICF became the first technology to achieve an igniting fusion fuel (thermonuclear instability), and then in 2022 scientific energy breakeven was attained. A key trade-off of the ICF platform is that greater fuel compression leads to higher burn efficiency, but at the expense of amplified Rayleigh–Taylor and Richtmyer–Meshkov instabilities and kinetic-energy-wasting asymmetries. In extreme cases, these three-dimensional instabilities can completely break up the implosion. Even in the highest-yielding 2022 scientific breakeven experiment, high-atomic-number (high-Z) contaminants were unintentionally injected into the fuel. Here we review the pivotal role that fluid dynamics plays in the construction of a stable implosion and the decades of improved understanding and isolated experiments that have contributed to fusion ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Development of Dynamic Ellipsometry for Measurements or Iron Conductivity at Earth's Core Conditions.

The CHEDS researchers are engaged in a collaborative research project to study the properties of iron and iron alloys under Earth’s core conditions. The Earth’s core, inner and outer, is composed primarily of iron, thus studying iron and iron alloys at high pressure and temperature conditions will give the best estimate of its properties. Also, comparing studies of iron alloys with known properties of the core can constrain the potential light element compositions found within the core, such as fitting sound speeds and densities of iron alloys to established inner- Earth models. One of the lesser established properties of the core is the thermal conductivity, where current estimates vary by a factor of three. Therefore, one of the primary goals of this collaboration is to make relevant measurements to elucidate this conductivity.

36 MATERIALS SCIENCE↗

Preliminary Design Study for an Eddy Current Flow Meter for Versatile Test Reactor

The eddy current flow meter (ECFM) serves the purpose of monitoring velocities and temperatures of conductive liquid coolant surrounding nuclear reactor cells. The ECFM can also detect voids in two-phase liquid metal flows. Measurement of this flow in reactor cells can greatly improve the accuracy of the empirical formulas used for fluid dynamics near the reactor core, as well as, aid in mapping any non-uniformities in fluid flow, its temperature estimation and phase. With modeling and experimental verification, an extensible ECFM for multiple facilities and environments can lead to an understanding of the liquid coolant flow; while saving cost of calibration and development. This can be done by characterizing the ECFM performance based on its parameters and then optimizing a sensor for a given use case. Simulation results using an ECFM and an aluminum rod medium are presented and discussed herein. Additionally, liquid metal simulations for Mercury and Galinstan will compare the ECFM behavior for different liquid velocities and excitation frequencies. After sensor calibration curves are generated and experimentally verified, ECFMs can be developed and deployed using the model introduced.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Application of NEAMS Codes to Capture MSR Phenomena

This report documents work completed in FY21 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program’s Molten Salt Reactor (MSR) Application Drivers activity at Argonne. The common focus was on identifying the modeling and simulation functional requirements for designing, licensing, and operating MSRs and applying those capabilities already developed in NEAMS tools to example problems of interest. The four main parts of this report each focuses on a specific area of simulation physics as it relates to MSR phenomena: fuel evolution, chemistry, computational fluid dynamics (CFD), and systems analysis. In terms of fuel evolution, which includes depletion, decay, on-line separations, and transmutation, the current state of computational capabilities for modeling this behavior in liquid-fueled molten salt reactor is discussed. Some of the functional requirements to accomplish the various applications of MSR fuel depletion modeling are highlighted, followed by a summary of recent approaches and code development activities. The chemistry functional requirements were discussed in the context of several applications of high importance for MSRs, such as corrosion, salt chemistry, and species transport. Each of these types of chemistry modeling have considerable impact on various aspects of reactor applications, including informing on reactor designs, improving operational efficiencies, analyzing safety and reactivity concerns, and estimating the mechanistic source term of the reactor. A brief overview is also provided on code development activities ongoing under NEAMS relevant to chemistry modeling of MSRs. In terms of CFD applications, the state-of-the-art spectral element code, Nek5000 was used to model the fluid dynamics within a full core of the Molten Salt Fast Reactor (MSFR) concept designed as part of the Euratom EVOL project. This concept was selected as the challenge problem because of its similar features to several U.S. industry concepts. The goal was to model some of the fast MSR design challenges, including potential large internal re-circulations, the need of accurate tracking of delayed neutron precursors (DNP), and the lack of relevant thermal-hydraulics models/correlations, etc. Therefore, a series of CFD models were created for the MSFR core cavity using a k – τ model two-equation model for the turbulence. These first full core results demonstrated that any potential recirculation zones could be properly identified with the current NEAMS CFD capabilities. The development of these models will also set the stage for future testing of Nek5000’s functionalities to model other MSR thermal-fluid phenomena. Lastly, the validation of SAM against experimental data from the Molten Salt Reactor Experiment, which started in FY19, continues with the inclusion of modeling the reactivity insertion tests. This involved using SAM and its point kinetics model for flowing fuel salt to recreate the time dependent power changes and response after positive reactivity insertions at the 1, 5, and 8 MWt power levels. Through these exercises, several code modifications were suggested to the SAM development team and accommodated to enable closer agreement with solid technical and physical justifications. These include adding a moderator reactivity feedback coefficient as an available input and modifying the solution approach for the point kinetics model. Additional SAM development suggestions for flowing fuel MSRs include adding the capability to allow the moderator power change proportionally with the reactor power and enabling specification of the power and DNP distributions separately.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Eddy Current Flow Meter Measurements and Modeling Validation

The goal of the eddy current flow meter (ECFM) is to monitor velocities and temperatures of conductive liquid metals. The ECFM can also detect voids in two-phase liquid metal flows. Measurement of these flows can greatly improve the accuracy of the empirical formulas used for fluid dynamics near the reactor core and aid in mapping any non-uniformities in fluid flow such as estimates of temperature and phase. While the eventual goal is to develop the ECFM for the liquid sodium surrounding the Versatile Test Reactor (VTR) core, this report focuses on modeling and experimental validation of ECFM for a moving solid test rod and for liquid mercury in the Target Test Facility (TTF) flow loop to better understand and further develop ECFM measurement capabilities by validating model predictions with benchmark experiments. Eventually the models could be used to design and optimize future ECFMs for specific applications such as monitoring flow within the VTR pool.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Iron Oxide Nanoparticle Agglomeration Influences Dose-Rates and Modulates Oxidative Stress Mediated Dose-Response Profiles In Vitro

Spontaneous agglomeration of engineered nanoparticles (ENPs) is a common problem in cell culture media which can confound interpretation of in vitro nanotoxicity studies. The authors created stable agglomerates of iron oxide nanoparticles (IONPs) in conventional culture medium, which varied in hydrodynamic size (276 nm-1.5 μm) but were composed of identical primary particles with similar surface potentials and protein coatings. Studies using C10 lung epithelial cells show that the dose rate effects of agglomeration can be substantial, varying by over an order of magnitude difference in cellular dose in some cases. Quantification by magnetic particle detection showed that small agglomerates of carboxylated IONPs induced greater cytotoxicity and redox-regulated gene expression when compared with large agglomerates on an equivalent total cellular IONP mass dose basis, whereas agglomerates of amine-modified IONPs failed to induce cytotoxicity or redox-regulated gene expression despite delivery of similar cellular doses. Dosimetry modelling and experimental measurements reveal that on a delivered surface area basis, large and small agglomerates of carboxylated IONPs have similar inherent potency for the generation of ROS, induction of stress-related genes and eventual cytotoxicity. The results suggest that reactive moieties on the agglomerate surface are more efficient in catalysing cellular ROS production than molecules buried within the agglomerate core. Because of the dynamic, size and density-dependent nature of ENP delivery to cells in vitro, the biological consequences of agglomeration are not discernible from static measures of exposure concentration (μg/ml) alone, highlighting the central importance of integrated physical characterisation and quantitative dosimetry for in vitro studies. The combined experimental and computational approach provides a quantitative framework for evaluating relationships between the biocompatibility of nanoparticles and their physical and chemical characteristics.

agglomeration↗

MODELING OBSERVED DECAY-LESS OSCILLATIONS AS RESONANTLY ENHANCED KELVIN–HELMHOLTZ VORTICES FROM TRANSVERSE MHD WAVES AND THEIR SEISMOLOGICAL APPLICATION

In the highly structured solar corona, resonant absorption is an unavoidable mechanism of energy transfer from global transverse MHD waves to local azimuthal Alfvén waves. Due to its localized nature, direct detection of this mechanism is extremely difficult. Yet, it is the leading theory explaining the observed fast damping of the global transverse waves. However, at odds with this theoretical prediction are recent observations that indicate that in the low-amplitude regime such transverse MHD waves can also appear decay-less, a still unsolved phenomenon. Recent numerical work has shown that Kelvin–Helmholtz instabilities (KHI) often accompany transverse MHD waves. In this work, we combine 3D MHD simulations and forward modeling to show that for currently achieved spatial resolution and observed small amplitudes, an apparent decay-less oscillation is obtained. This effect results from the combination of periodic brightenings produced by the KHI and the coherent motion of the KHI vortices amplified by resonant absorption. Such an effect is especially clear in emission lines forming at temperatures that capture the boundary dynamics rather than the core, and reflects the low damping character of the local azimuthal Alfvén waves resonantly coupled to the kink mode. Due to phase mixing, the detected period can vary depending on the emission line, with those sensitive to the boundary having shorter periods than those sensitive to the loop core. This allows us to estimate the density contrast at the boundary.

79 ASTRONOMY AND ASTROPHYSICS↗

N-Player Stochastic Differential Games

Conditions are described which guarantee that the control strategies adopted by N players constitute an efficient solution, an equilibrium, or a core solution. The system dynamics are described by an Ito equation, and all players have perfect information. It was found that when the set of instantaneous joint costs and velocity vectors is convex, the conditions are necessary.

Varaiya, P.↗

N-player stochastic differential games

The paper presents conditions which guarantee that the control strategies adopted by N players constitute an efficient solution, an equilibrium, or a core solution. The system dynamics are described by an Ito equation, and all players have perfect information. When the set of instantaneous joint costs and velocity vectors is convex, the conditions are necessary.

Varaiya, P.↗

Modeling of G333.6-0.2 as a spherical H II region

The radio and IR observations of the H II region G333.6-0.2 are matched with a detailed spherical model with a density distribution which has a uniform-density core of radius 0.05 pc, a power-law intermediate zone, and a uniform-density halo. A stellar radiation field is required that is somewhat different from those predicted by available model atmospheres. Of the stellar models of Kurucz, the Teff = 34,000 K and log g = 3.5 model best fits the observed ratio of helium to hydrogen recombination lines. A good fit to all the observations in obtained with an S(2+) ionizing flux which is a factor of 20 times less than predicted by the Kurucz atmosphere. Current model atmospheres may not be appropriate because a single stable star with Teff = 34,000 K fails by at least an order of magnitude to produce the ionizing luminosity. The small radius of the constant-density core implies a short dynamical lifetime of approximately 5000 years for this spherical model; this may indicate that a nonspherical blister geometry is more appropriate for this H II region.

Rubin, R. H.↗

Quasars in rich galaxy clusters

The evolution of AGN activity in rich clusters of galaxies is found to be approximately 5 times more rapid than that in poor clusters. This rapid evolution may be driven by evolution in the dynamics of galaxy cluster cores. Results from our spectroscopic studies of galaxies associated with quasars are consistent with this scenario, in that bright AGN are preferentially found in regions of lower velocity dispersion. Alternately, the evolution may be driven by formation of a dense intra-cluster medium (ICM). Galaxies close to quasars in rich cluster cores are much bluer (presumably gas rich) than galaxies in the cores of other rich clusters, in support of this model.

Ellingson, Erica↗

Research in astrophysical processes

Work completed under this grant is summarized in the following areas:(1) radio pulsar turn on and evaporation of companions in very low mass x-ray binaries and in binary radio pulsar systems; (2) effects of magnetospheric pair production on the radiation from gamma-ray pulsars; (3) radiation transfer in the atmosphere of an illuminated companion star; (4) evaporation of millisecond pulsar companions;(5) formation of planets around pulsars; (6) gamma-ray bursts; (7) quasi-periodic oscillations in low mass x-ray binaries; (8) origin of high mass x-ray binaries, runaway OB stars, and the lower mass cutoff for core collapse supernovae; (9) dynamics of planetary atmospheres; (10) two point closure modeling of stationary, forced turbulence; (11) models for the general circulation of Saturn; and (12) compressible convection in stellar interiors.

Ruderman, Malvin A.↗