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DOE OSTI2021

Improved first-principles equation-of-state table of deuterium for high-energy-density applications

Here, we present a first-principles equation-of-state (EOS) table of deuterium aimed at improving the previously established first-principles equation-of-state table (FPEOS). The EOS table presented here, referred to as iFPEOS, introduces (1) a universal density functional theory (DFT) treatment of all density and temperature conditions, (2) a fully consistent treatment of exchange-correlation (XC) thermal effects across the entire range of temperatures covered, and (3) quantum treatment of ions. Based on ab initio molecular dynamics driven by thermal density functional theory, iFPEOS includes density points in the range 1×10 –3 $\leqslant$ ρ $\leqslant$ 1.6×10 3 g/cm 3 and temperature points in the range 800 K $\leqslant$ T $\leqslant$ 256 MK, thus covering the challenging warm dense matter (WDM) regime. For an improved description of the electronic structure, iFPEOS employs an advanced free-energy XC density functional with explicit temperature dependence, which is at the metageneralized gradient approximation level of DFT. We use the latest orbital-free free-energy density functional for the high-temperature regime where it shows excellent agreement with standard Mermin-Kohn-Sham DFT. For quantum treatment of ions we use path-integral molecular dynamics in order to take into account nuclear quantum effects. Results are compared to other EOS models and most recent experimental measurements of deuterium properties such as the molecular-toatomic fluid transition, the principal and reshock Hugoniot, and sound speed. We find that iFPEOS provides an improved agreement with experimental data compared to other first-principles EOS models in the WDM regime for pressures up to 200 GPa and temperatures up to 60 000 K. For higher pressures and temperatures, however, iFPEOS is in agreement with other models in predicting lower compressibility and higher sound speed along the Hugoniot, compared to experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1994

Low-frequency modes and nonbarotropic effects in pseudo-Newtonian accretion disks

A recently developed formalism is used to reexamine the question of the existence of hydrodynamical modes that pulsate with very low frequencies in the inner regions of accretion disks. The formalism is valid in an exact sense for the adiabatic pulsations of rotating Newtonian fluids that are generally nonbarotropic (such as those with 'nonadiabatic temperature gradients,' for example), and hence its application in the present context represents an improvement over previous analyses that are more approximate. The formalism is applied to thin non-self-gravitating disks, with the gravitational potential of the central source modified in the usual way in order to simulate relativistic effects. In the barotropic limit, the analyses indicate that in many cases nearly Keplerian disks exhibit nonaxisymmetric modes of pulsation that are trapped in the inner disk regions, with pulsation periods much longer than the dynamical timescale. These results are similar to those of earlier calculations that assume disks pulsate without changing the temperature distribution. A method is developed for including lowest order nonbarotropic effects. Previous analyses have been incapable of accurately treating the nonbarotropic regime. The application of the present method to the low-frequency modes reveals that, due to unexpected cancellations among terms, the nonbarotropic correction to the pusation frequency omega is only of order tilde-omega(sub BV exp 2) omega, where tilde-omega(sub BV) is the appropriate dimensionless Brunt-Vaisala frequency. This correction is much smaller than the expected correction of order tilde-omega(sub BV) Omega, where Omega is the rotation angular velocity. The important conclusion drawn from this is that nonbarotropic corrections are generally small and hence that low-frequency modes persist into the nonbarotropic regime. For disk temperatures appropriate to X-ray emission, the adiabatic frequencies of trapped modes are of the same order as the frequencies associated with quasi-periodic oscillations (QPOs) of certain low-mass X-ray binaries and other X-ray sources. It is suggested that further consideration be given to the possiblity that modulation of emission processes by these modes can explain at least some of the QPO phenomena.

Ipser, James R.↗

DOE OSTI2026

Role of Chemical Disorder in High Temperature Dislocation Glide in Refractory Multi-principal Element Alloys

Refractory multi-principal element alloys (RMPEAs) combine a chemically disordered lattice with a structurally ordered, single‐phase body‐centered cubic (bcc) crystal structure. Chemical fluctuations in these alloys give rise to significant energy barriers that impede dislocation motion. In this study, we use phase field dislocation dynamics to examine how spatial temperature fluctuations compete with randomness in energy barriers to affect the motion of long screw dislocations in three equi-atomic MoNbTa‐based RMPEAs: MoNbTa, MoNbTaW, and MoNbTaVW. Over a wide range of homologous temperatures (T h ≈ 0–0.6), we determined a screw dislocation ‘flow stress’ as the minimum applied stress to sustain continuous motion over a long excursion distance within a fixed timeframe. All three RMPEAs exhibit temperature dependent flow stress with three characteristic glide regimes: at low homologous temperatures, flow stress drops sharply, and screw glide remains planar and rectilinear; at intermediate homologous temperatures, the flow stress levels off as glide becomes planar but wavy; and at high homologous temperatures, flow stress plateaus as screws exhibit nonplanar, three‐dimensional motion. Glide kinetics and transition temperatures are controlled by the chemically induced fluctuations in the energy landscape. The rectilinear to wavy transition temperature is controlled by statistically weakest local barriers in the glide plane, whereas the wavy to 3D transition temperature is governed by statistically strongest local barriers. At low and intermediate homologous temperatures, the relative spread in energy barriers governs glide behavior by controlling the local kinetics of kink pair formation and kink pinning. At high homologous temperatures, the average barrier height governs the glide behavior by controlling the number of out-of-plane excursions during 3D glide. These findings reveal how random chemical fluctuations determine screw‐driven plasticity in RMPEAs, providing critical insight for the design of high temperature structural alloys.

Defects↗

DOE OSTI2020

Spin crossovers and superdiffusion in the one-dimensional Hubbard model

We use tools from integrability and generalized hydrodynamics to study finite-temperature dynamics in the one-dimensional Hubbard model. First, we examine charge, spin, and energy transport away from half-filling and zero magnetization, focusing on the strong coupling regime where we identify a rich interplay of temperature and energy scales, with crossovers between distinct dynamical regimes. We identify an intermediate-temperature regime analogous to the spin-incoherent Luttinger liquid, where spin degrees of freedom are hot but charge degrees of freedom are at low temperature. We demonstrate that the spin Drude weight exhibits sharp features at the crossover between this regime and the low-temperature Luttinger liquid regime, which are absent in the charge and energy response, and rationalize this behavior in terms of the properties of Bethe ansatz quasiparticles.We then turn to the dynamics along special lines in the phase diagram corresponding to half-filling and/or zero magnetization where on general grounds we anticipate that the transport is subballistic but superdiffusive. We provide analytical and numerical evidence for Kardar-Parisi-Zhang (KPZ) dynamical scaling (with length and time scales related via x ~ t 2/3 ) along both lines and at the SO(4)-symmetric point where they intersect. Furthermore, our results suggest that both spin-coherence crossovers and KPZ scaling may be accessed in near-term experiments with optical lattice Hubbard emulators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1984

Middle Atmosphere Temperature and Dynamics as Revealed from D-region Observations

The concept of so-called meteorological control of the ionospheric D-region is presently undergoing development. According to this concept the electron concentration in this region is governed not only by solar and geomagnetic parameters but strongly depends on the temperature and dynamical regime of the mesosphere and stratosphere. How this connection between D-region and meteorological parameters can be used to obtain some information about middle atmosphere temperature and dynamics is examined. The essential points of the meteorological control concept are reviewed and the influence of turbulence on nitric oxide distribution and thus the ion production rate is discussed.

Danilov, A. D.↗

DOE OSTI2025

Design of a separate effects MiniFuel irradiation experiment investigating microstructure evolution in high burnup UO 2

The microstructural evolution of UO 2 fuel pellets during commercial operation in light water reactors (LWRs) is known to vary significantly across the pellet radius due to spatial variations in local temperature and burnup. The primary obstacle to extending LWR refueling cycles to 24-month intervals is the susceptibility of certain high burnup fuel microstructures to fuel fragmentation, relocation, and dispersal (FFRD) during a loss of coolant accident (LOCA). Although FFRD of the high burnup structure in the rim region of a pellet is well studied, the fine fragmentation that has been observed in a second region, near the midradius of the pellet (termed the “dark zone”) following mock LOCA testing of high burnup commercial fuel rods is less understood. This paper describes the design, analysis, and execution of a separate effects MiniFuel irradiation experiment that aims to identify the specific temperature and burnup regimes under which FFRD-susceptible dark zone microstructures form. The small disc specimens (3 mm diameter by ∼0.3 mm thick) enable more precise control of the relatively uniform temperature and burnup conditions. A total of 42 specimens were fabricated with typical LWR fuel densities (∼96%–98% of theoretical density) and grain sizes (∼12 μm) and are being irradiated over a range of temperatures (600°C–1000°C) and discharge burnups (50–72 MWd/kg-U) that bound the midradius region of high burnup LWR fuel. Fuel specimens with identical 235 U enrichments were inserted in two irradiation locations in the High Flux Isotope Reactor and are currently undergoing irradiation to further evaluate the impact of rate effects (fission rate, time at temperature) on the microstructural evolution. The fuel fabrication and the thermal and neutronic simulations used for designing the experiment are detailed in this paper. A secondary objective of the experiment is to observe fission gas release (FGR) under the various irradiation conditions, and this work provides first-order predictions of FGR from all fuel specimens. The insights gained from these experiments will inform future high burnup core designs that could minimize the formation of susceptible microstructures and ultimately enable 24-month refueling cycles while minimizing the fraction of the fuel susceptible to FFRD.

FFRD↗

DOE OSTI2022

Scaling of laser-driven electron and proton acceleration as a function of laser pulse duration, energy, and intensity in the multi-picosecond regime

A scaling study of short-pulse laser-driven proton and electron acceleration was conducted as a function of pulse duration, laser energy, and laser intensity in the multi-picosecond (ps) regime (∼0.8 ps–20 ps). Maximum proton energies significantly greater than established scaling laws were observed, consistent with observations at other multi-ps laser facilities. In addition, maximum proton energies and electron temperatures in this regime were found to be strongly dependent on the laser pulse duration and preplasma conditions. A modified proton scaling model is presented that is able to better represent the accelerated proton characteristics in this multi-ps regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Scaling of laser-driven electron and proton acceleration as a function of laser pulse duration, energy, and intensity in the multi-picosecond regime

A scaling study of short-pulse laser-driven proton and electron acceleration was conducted as a function of pulse duration, laser energy, and laser intensity in the multi-picosecond (ps) regime (~0.8 ps–20 ps). Furthermore, maximum proton energies significantly greater than established scaling laws were observed, consistent with observations at other multi-ps laser facilities. In addition, maximum proton energies and electron temperatures in this regime were found to be strongly dependent on the laser pulse duration and preplasma conditions. A modified proton scaling model is presented that is able to better represent the accelerated proton characteristics in this multi-ps regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2022

Winter Severity Affects Occupancy of Spring- and Summer-Breeding Anurans Across the Eastern United States

Climate change is an increasingly important driver of biodiversity loss. The ectothermic nature of amphibians may make them particularly sensitive to changes in temperature and precipitation regimes, adding to declines from other threats. While active season environmental conditions can influence growth and survival, effects of variation in winter conditions on population dynamics are less well-studied. Given that extreme winter temperatures can influence amphibian survival and fitness, we expected that increased winter severity—as measured by variability in winter temperatures and snow cover—would be associated with decreased occupancy, and that populations that experience more severe winters would have the largest sensitivities and show the greatest declines.

climate↗

NASA NTRS2020

Collisional-Radiative Models of Neutral and Singly-Ionized Xenon in Hall Thrusters: Experimental Validation and Model Investigations

The recently developed collisional radiative (CR) models for neutral xenon (Xe I) and singly charged xenon ion (Xe II) described by Chaplin et al. in the paper "Insights from Collisional-Radiative Models of Neutral and Singly-Ionized Xenon in Hall Thrusters" also submitted to the 2021 AIAA Propulsion and Energy Forum are more thoroughly investigated. Comparisons between the existing and recently developed JPL Xe I CR models are done and reasons for discrepancies between the two models are explored. An experiment to validate the Xe II CR model is carried out in the anode region of the UCLA Plasma interactions facility. The Xe II CR model is applied to measured xenon ion emission line intensities to determine electron temperature and density. Spatial resolution of these optical measurements is obtained through an Abel inversion for direct comparison to Langmuir probe results. Although the measured electron densities were on the order of $10^{17}$ m$^{-3}$ and the Xe II CR model is most suitable for use with densities above $10^{18}$ m$^{-3}$ due to the strong dependence of the line ratios on electron temperature in that regime, initial results from the validation experiment show reasonable agreements between the optical and Langmuir probe results. The 441 nm to 605 nm line ratio appears to have the most promise for non-intrusive electron temperature measurements with the Xe II CR model. Shortcomings of the Xe II CR model revealed in the validation experiment are to be explored further.

Lobbia, Robert B.↗

DOE OSTI2024

Formation of a Large Cold Groundwater Mantle Helium Anomaly and High Temperature Geothermal Resources in Response to Bimodal Magmatism Near Roosevelt Hot Springs and Utah FORGE, Milford Valley, Southwest Utah

Abstract A large mantle helium anomaly and separate domains of high heat flow are the predominant manifestations of bimodal magmatic activity in the Milford valley. The mantle helium anomaly (1.9–2.6 R/Ra) covers 270 km 2 and is subdivided into two separated domains: a cold shallow groundwater regime and high temperature hydrothermal activity. The zone of anomalous heat flow covers >100 km 2 and is also subdivided into two adjacent domains, comprising hydrothermal activity at Roosevelt Hot Springs (RHS) (3–7 W/m 2 ) and conductive heat flow (100–180 mW/m 2 ). While the transfer of heat and mantle helium at RHS are coupled, heat and helium transfer are decoupled in the adjacent cold groundwater regime to the west. Both the mantle helium and geothermal anomalies are attributed to recent mafic‐felsic magmatic intrusions of >400 km 3 , however, the absence of volcanic eruptions <500,000 years indicates magmas stall before rising to shallow crustal level <10 km depth. Deep level magmatism produces a felsic composition melt, which is inferred to be responsible for the widespread and near uniform range of diluted mantle helium values. A thick and impermeable mass of crystalline granitic basement rock at the mid‐crustal level divides the ascent of mantle helium into separate flow paths. It may also impede the rise of buoyant magma trapping thermal energy that facilitates partial melting, slow cooling, and development of a thick thermal aureole. Partitioning of convective and conductive thermal regimes and independent flow paths supplying deeply derived helium characterize the development of a large long‐lived magma‐related geothermal system.

Geochemistry & Geophysics↗

DOE OSTI2024

Hidden transport phenomena in an ultraclean correlated metal

Advancements in materials synthesis have been key to unveil the quantum nature of electronic properties in solids by providing experimental reference points for a correct theoretical description. Here, we report hidden transport phenomena emerging in the ultraclean limit of the archetypical correlated electron system SrVO 3 . The low temperature, low magnetic field transport was found to be dominated by anisotropic scattering, whereas, at high temperature, we find a yet undiscovered phase that exhibits clear deviations from the expected Landau Fermi liquid, which is reminiscent of strange-metal physics in materials on the verge of a Mott transition. Further, the high sample purity enabled accessing the high magnetic field transport regime at low temperature, which revealed an anomalously high Hall coefficient. Taken with the strong anisotropic scattering, this presents a more complex picture of SrVO 3 that deviates from a simple Landau Fermi liquid. These hidden transport anomalies observed in the ultraclean limit prompt a theoretical reexamination of this canonical correlated electron system beyond the Landau Fermi liquid paradigm, and more generally serves as an experimental basis to refine theoretical methods to capture such nontrivial experimental consequences emerging in correlated electron systems.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Experiments on the dynamics and scaling of spontaneous-magnetic-field saturation in laser-produced plasmas

We report in laser-produced high-energy-density plasmas, large-scale strong magnetic fields are spontaneously generated by the Biermann battery effects when temperature and density gradients are misaligned. Saturation of the magnetic field takes place when convection and dissipation balance field generation. While theoretical and numerical modeling provide useful insight into the saturation mechanisms, experimental demonstration remains elusive. In this letter, we report an experiment on the saturation dynamics and scaling of Biermann battery magnetic field in the regime where plasma convection dominates. With time-gated charged-particle radiography and time-resolved Thomson scattering, the field structure and evolution as well as corresponding plasma conditions are measured. In these conditions, the spatially resolved magnetic fields are reconstructed, leading to a picture of field saturation with a scaling of $B ~ 1/L_T$ for a convectively dominated plasma, a regime where the temperature gradient scale ($L_T$) exceeds the ion skin depth.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1977

Lunar thermal regime to 300 km

Coupling of the global heat flow, crustal heat source enrichment, thermal conductivity, and temperature in the crust and upper mantle of the moon is examined. A steady-state moon in which conductive heat transfer dominates is assumed. Heat-flow measurements from the Apollo 15 and 17 missions and gamma-ray mapping of thorium conducted by the Apollo 15 and 16 missions provide data for the study of the lunar thermal regime. Temperatures in the range of 1100 to 1600 K are found for the 300-km depth level. In the upper mantle, temperature gradients are in the range of 1.8 to 3.2 K/km.

Keihm, S. J.↗

NASA NTRS1990

Flux creep in Bi2Sr2CaCu2O8(sub +x) single crystals

The results of a magnetic study on a Bi2Sr2CaCu2O(8+x) single crystal are reported. Low field susceptibility (dc and ac), magnetization cycles and time dependent measurements were performed. With increasing the temperature the irreversible regime of the magnetization cycles is rapidly restricted to low fields, showing that the critical current J(sub c) becomes strongly field dependent well below T(sub c). At 2.4 K the critical current in zero field, determined from the remanent magnetization by using the Bean formula for the critical state, is J(sub c) = 2 10(exp 5) A/sq cm. The temperature dependence of J(sub c) is satisfactorily described by the phenomenological law J(sub c) = J(sub c) (0) (1 - T/T(sub c) (sup n), with n = 8. The time decay of the zero field cooled magnetization and of the remanent magnetization was studied at different temperatures for different magnetic fields. The time decay was found to be logarithmic in both cases, at least at low temperatures. At T = 4.2 K for a field of 10 kOe applied parallel to the c axis, the average pinning energy, determined by using the flux creep model, is U(sub o) = 0.010 eV.

Agostinelli, E.↗

NASA NTRS1997

Kinetics of the Reactions of IO Radicals with NO and NO2

A laser flash photolysis-long path absorption technique has been employed to study the kinetics of the reactions of IO radicals with NO and NO2 as a function of temperature and pressure. The IO and NO rate coefficient is independent of pressure over the range 40-200 Torr of N2, and its temperature dependence over the range 242-359 K is adequately described by the Arrhenius expression k(sub 1) = (6.9 +/- 1.7) x 10(exp -12) exp[(328 +/- 71)/T] cu cm/(molecule.s) (errors are 2 sigma, precision only). These Arrhenius parameters are similar to those determined previously for the ClO + NO and BrO + NO reactions. The IO and NO2 association reaction is found to be in the falloff regime over the temperature and pressure ranges investigated (254-354 K and 40-750 Torr of N2). Assuming F(sub c) = 0.4 independent of temperature, a physically reasonable set of falloff parameters which adequately describe the data are k(sub 0) = 7.7 x 10(exp -31)(T/300)(exp -5.0) cm(exp 6)/(molecule(exp 2).s) and k(sub infinity) = 1.55 x 10(exp -11)cu cm/(molecule.s) independent of temperature. The IO + NO2 rate coefficients determined in this study are about a factor of 2 faster than those reported in the only previous study of this reaction.

Daykin, E. P.↗

DOE OSTI2024

Implementation of an impurity diagnostic suite on the Pegasus-III experiment

A suite of diagnostics used to assess impurity content and dynamics has been updated, upgraded, and installed on the Pegasus-III Experiment. Typical plasma parameters during local helicity injection start-up are τ shot ~10 ms, n e ~ 1 × 10 19 m –3 , and T e ~ 50 eV. The deployed diagnostics are compatible with this modest temperature and density regime and provide species identification, source localization, and estimation of radiation losses. Impurity species are determined by recording time-evolving, single line-of-sight spectra at 1.25 kfps using a SPRED (Survey, Poor Resolution, Extended Domain) vacuum ultraviolet spectrometer. SPRED is equipped with 450 g/mm grating, giving a spectral resolution of 0.33 nm and a spectral range from ~10 to 110 nm, useful to identify light impurity species in this temperature and density range. An absolutely calibrated spectrometer that collects light from the plasma at R tan = 15.9 cm and Δt ≥ 2 ms is used as a visible survey spectrometer and for continuum measurements. The radiated power from the plasma is estimated with a photodiode-based diagnostic. Two 16-channel absolute extreme ultraviolet diode arrays are placed behind pinhole apertures, resulting in 32 lines of sight at Z = 0, with a spatial resolution of 2–3 cm and a time response of 60 kHz. A photometrically calibrated collinear D α /near infrared filtered photodiode-based system measures the D α emission and around 1040 nm. All these instruments have been designed to suppress electromagnetic interference from megawatt-class switching power supplies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

First implementation of gyrokinetic exact linearized Landau collision operator and comparison with models

Gyrokinetic simulations are fundamental to understanding and predicting turbulent transport in magnetically confined fusion plasmas. Previous simulations have used model collision operators with approximate field-particle terms of unknown accuracy and/or have neglected collisional finite Larmor radius (FLR) effects. We have implemented the linearized Fokker–Planck collision operator with exact field-particle terms and full FLR effects in a gyrokinetic code (GENE). The new operator, referred to as “exact” in this paper, allows the accuracy of model collision operators to be assessed. The conservative Landau form is implemented because its symmetry underlies the conservation laws and the H-theorem, and enables numerical methods to preserve this conservation, independent of resolution. The implementation utilizes the finite-volume method recently employed to discretize the Sugama collision model in GENE, allowing direct comparison between the two operators. Results show that the Sugama model appears accurate for the growth rates of trapped electron modes (TEMs) driven only by density gradients, but appreciably underestimates the growth rates as the collisionality and electron temperature gradient increase. The TEM turbulent fluxes near the nonlinear threshold using the exact operator are similar to the Sugama model for the n e = d ln T e /d ln n e = 0 case, but substantially larger than the Sugama model for the n e = 1 case. The FLR effects reduce the growth rates increasingly with wavenumber deepening a “valley” at the intermediate binormal wavenumber as the unstable mode extends from the TEM regime to the electron temperature gradient instability regime. Application to the Hinton–Rosenbluth problem shows that zonal flows decay faster as the radial wavenumber increases and the exact operator yields weaker decay rates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗