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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Thermal Weight Determination and Interstate Coupling in State-Averaged ADAPT-VQE

Characterizing electronic thermal states at low temperatures is an important but challenging task in quantum chemistry and condensed matter physics, making it a prime candidate for a useful application in quantum computing. One of the most successful methods for state preparation on quantum computers is the Adaptive, Problem-Tailored (ADAPT) Variational Quantum Eigensolver (VQE), which has recently been generalized to treat excited states within a state-averaged framework as well as Gibbs states. In this work, we introduce Helmholtz-Optimized Thermal (HOT) ADAPT-VQE, an ancilla-free strategy for preparing Gibbs states that directly minimizes the Helmholtz free energy by targeting the dominant eigenstates of the thermal ensemble. We demonstrate the usefulness of HOT-ADAPT-VQE by predicting the free energy of two model systems with strongly correlated ground states: (1) the Fe 2+ cation in a magnetic field and (2) a [Cu 2 O 7 ] 10– fragment of the Mott insulator La 2 CuO 4 . Our results demonstrate that HOT-ADAPT-VQE significantly improves upon Gibbs-state estimates from multistate variants of ADAPT-VQE, often with substantially shallower quantum circuits, making it a promising candidate for thermal-state calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2008

The Electron Diffusion Region: Forces and Currents

The dissipation mechanism of magnetic reconnection remains a subject of intense scientific interest. On one hand, one set of recent studies have shown that particle inertia-based processes, which include thermal and bulk inertial effects, provide the reconnection electric field in the diffusion region. On the other hand, a second set of studies emphasizes the role of wave-particle interactions in providing anomalous resistivity in the diffusion region. In this presentation, we present analytical theory results, as well as PIC simulations of guide-field magnetic reconnection. We will show that the thermal electron inertia-based dissipation mechanism, expressed through nongyrotropic electron pressure tensors, remains viable in three dimensions. We will demonstrate the thermal inertia effect through studies of electron distribution functions. Furthermore, we will show that the reconnection electric field provides a transient acceleration on particles traversing the inner reconnection region. This inertia1 effect can be described as a diffusion-like term of the current density, which matches key features of electron distribution functions.

Hesse, Michael↗
NASA NTRS2009

The Electron Diffusion Region: Forces and Currents

The dissipation mechanism of magnetic reconnection remains a subject of intense scientific interest. On one hand, one set of recent studies have shown that particle inertia-based processes, which include thermal and bulk inertial effects, provide the reconnection electric field in the diffusion region. On the other hand, a second set of studies emphasizes the role of wave-particle interactions in providing anomalous resistivity in the diffusion region. In this presentation, we present analytical theory results, as well as PIC simulations of guide-field magnetic reconnection. We will show that the thermal electron inertia-based dissipation mechanism, expressed through nongyrotropic electron pressure tensors, remains viable in three dimensions. We will demonstrate the thermal inertia effect through studies of electron distribution functions. Furthermore, we will show that the reconnection electric field provides a transient acceleration on particles traversing the inner reconnection region. This inertial effect can be described as a diffusion-like term of the current density, which matches key features of electron distribution functions.

Hesse, Michael↗
DOE OSTI2023

Cooling flow regime of a plasma thermal quench

A large class of Laboratory, Space, and Astrophysical plasmas is nearly collisionless. When a localized energy or particle sink, for example, in the form of a radiative cooling spot or a black hole, is introduced into such a plasma, it can trigger a plasma thermal collapse, also known as a thermal quench in tokamak fusion. Here we show that the electron thermal conduction in such a nearly collisionless plasma follows the convective energy transport scaling in itself or in its spatial gradient, due to the constraint of ambipolar transport. As a result, a robust cooling flow aggregates mass toward the cooling spot and the thermal collapse of the surrounding plasma takes the form of four propagating fronts that originate from the radiative cooling spot, along the magnetic field line in a magnetized plasma. The slowest one, which is responsible for deep cooling, is a shock front.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Anomalous transport in the H-mode pedestal of Alcator C-Mod discharges

Anomalous transport in the H-mode pedestal region of five Alcator C-Mod discharges, representing a collisionality scan is analyzed. The understanding of anomalous transport in the pedestal region is important for the development of a comprehensive model for the H-mode pedestal slope. In this research, a possible role of the drift resistive inertial ballooning modes (Rafiq et al 2010 Phys. Plasmas 17 082511) in the edge of Alcator C-Mod discharges is analyzed. The stability analysis, carried out using the TRANSP code, indicates that the DRIBM modes are strongly unstable in Alcator C-Mod discharges with large electron collisionality. An improved interpretive analysis of H-mode pedestal experimental data is carried out utilizing the additive flux minimization technique (Pankin et al 2013 Phys. Plasmas 20 102501) together with the guiding-center neoclassical kinetic XGC0 code. The neoclassical and neutral physics are simulated in the XGC0 code and the anomalous fluxes are computed using the additive flux minimization technique. The anomalous fluxes are reconstructed and compared with each other for the collisionality scan Alcator C-Mod discharges. It is found that the electron thermal anomalous diffusivities at the pedestal top increase with the electron collisionality. This dependence can also point to the drift resistive inertial ballooning modes as the modes that drive the anomalous transport in the plasma edge of highly collisional discharges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1971

Longitudinal waves in a perpendicular collisionless plasma shock. III.

This paper considers electrostatic waves in a Vlasov plasma of unmagnetized ions and magnetized electrons undergoing an E x B drift. The linear dispersion relation is solved numerically for an electron temperature approximately equal to the ion temperature. For a fixed ratio of drift velocity to electron thermal velocity, the growth rates of the E x B electron drift instability are smaller, and the waves are stabilized at much smaller values of k.B than in the case where electron temperature is much larger than the ion temperature.

Gary, S. P.↗
NASA NTRS1991

Ionization of NO at high temperature

Space vehicles flying through the atmosphere at high speed are known to excite a complex set of chemical reactions in the atmospheric gases, ranging from simple vibrational excitation to dissociation, atom exchange, electronic excitation, ionization, and charge exchange. Simple arguments are developed for the temperature dependence of the reactions leading to ionization of NO, including the effect of vibrational electronic thermal nonequilibrium. NO ionization is the most important source of electrons at intermediate temperatures and at higher temperatures provides the trigger electrons that ionize atoms. Based on these arguments, recommendations are made for formulae which fit observed experimental results, and which include a dependence on both a heavy particle temperature and different vibration electron temperatures. In addition, these expressions will presumably provide the most reliable extrapolation of experimental results to much higher temperatures.

Hansen, C. Frederick↗
DOE OSTI2022

Dissociating the phononic, magnetic and electronic contributions to thermal conductivity: a computational study in alpha-iron

Computational tools to study thermodynamic properties of magnetic materials have, until recently, been limited to phenomenological modeling or to small domain sizes limiting our mechanistic understanding of thermal transport in ferromagnets. Herein, we study the interplay of phonon and magnetic spin contributions to the thermal conductivity in a-iron utilizing non-equilibrium molecular dynamics simulations. It was observed that the magnetic spin contribution to the total thermal conductivity exceeds lattice transport for temperatures up to two-thirds of the Curie temperature after which only strongly coupled magnon-phonon modes become active heat carriers. Characterizations of the phonon and magnon spectra give a detailed insight into the coupling between these heat carriers, and the temperature sensitivity of these coupled systems. Comparisons to both experiments and ab initio data support our inferred electronic thermal conductivity, supporting the coupled molecular dynamics/spin dynamics framework as a viable method to extend the predictive capability for magnetic material properties.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Weak double layers

The characteristics of weak double layers with potential steps approximately equal to five are investigated in a triple plasma device and compared with a kinetic model. The double layers considered here differ from those previously investigated in two significant ways: (1) the double layers are much weaker; and (2) trapped ions play a much less important role. In this study, two plasmas at different potentials but with similar characteristics are separated from a target chamber by grids so that ions enter only at the high potential side and electron beams enter at the low potential side. What is more, thermal electrons enter at the high potential side and are trapped by the double layer. The model calculations illustrate the role of the trapped ions in determining the position of the double layer, and they demonstrate the dependence of the length of the double layer on the entering ion and electron fluxes.

Hershkowitz, N.↗
DOE OSTI2022

Characterization of thermal transport and evolution of Au plasma in ICF experiments by Thomson scattering

Here, this paper demonstrates the capability of optical Thomson scattering (OTS) to measure thermal transport, and provides support to radiation hydrodynamic and kinetic simulations of electron thermal transport and plasma evolution. OTS theory and plasma simulations are applied to the interpretation of experimental measurements of laser-produced plasma from spherical gold targets on the OMEGA laser facility. The dynamical form factor, S($\vec{k}$, ω), of electron density fluctuations that is used in the fitting of Thomson scattering spectra includes ion–ion collisions and effects of non-Maxwellian distribution functions. OTS measurements and their interpretation are consistent with the nonlocal transport model in radiation hydrodynamic simulations as well as with kinetic simulations in the second half of the probe pulse duration. In particular, the reversal of heat transport during cooling is observed to be consistent with simulations, while some discrepancies are noted during the initial heating of the Au targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRSDate not supplied

The Electron Heat Fluxes Associated with Electron Precipitation in the Region of Diffuse Aurora

Electron heat flux that comes from the magnetosphere to the upper ionospheric altitudes controls the value of electron temperature in the core plasma, and, as a result, the total electron density content that is required for different kinds of space weather applications. Knowing the thermal electron heat flux at the upper ionospheric boundaries is the Achilles' heel of all ionospheric models. Such a thermal heat flux setting is especially difficult to justify in the region of the diffuse aurora that is connected to a large energy reservoir of electrons with energies of a few kiloelectron volts, the Earth's plasma sheet, where magnetosphere-ionosphere coupling processes are strongly interconnected. We use the simulated heat flux provided by SuperThermal Electron Transport (STET) code to estimate electron temperatures at the upper ionospheric altitudes and compare these results with corresponding observations from the Defense Meteorological Satellite Program satellite during Saint Patrick's Days 2013 and 2015 Geomagnetic Storms.

George V. Khazanov↗
DOE OSTI2021

Exploring the elastic and electronic properties of chromium molybdenum diboride alloys

We perform first-principles calculations to study the structural, mechanical, thermal, electronic, and magnetic properties of Cr 1-x Mo x B 2 for x = 0.25, 0.33, 0.50, 0.67 and 0.75. Based on structural search methods, we determine the ground-state structure for each concentration. The ternaries are either monoclinic (x = 0.25, 0.75) or trigonal (x = 0.33, 0.50, 0.67). The calculated mechanical properties reveal that the strength of Cr 1-x Mo x B 2 is maximized for x = 0.50. Cr 0.5 Mo 0.5 B 2 exhibits excellent mechanical properties (B = 298 GPa, Y = 558 GPa, G = 235 Gpa, ν = 0.19, H v =27 GPa), surpassing those of β-MoB 2 at a lower cost. All of these ternaries are hard alloys with Vickers hardness greater than 24 GPa. Chemical bonding analysis demonstrates that the strength of the new compounds is related to the alternating planar and buckled B-B layers, as well as the strong TM-B bonds. Finally, the enhanced strength of Cr 0.5 Mo 0.5 B 2 is a consequence of the high density of strong interlayer Cr-Mo metallic bonds around the Fermi level.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Enhanced internal condensation of R1233zd(E) on micro- and nanostructured copper and aluminum surfaces

In-tube condensation of refrigerants is an important process which affects thermal efficiency in many applications, ranging from refrigeration and air conditioning to electronics thermal management. In-tube heat transfer and pressure drop are important to heat exchanger sizing and design. Here, in this work, micro- and nanostructured surfaces are applied to the internal wetted areas of copper and aluminum mini-channels to enhance the condensation heat transfer coefficient of hydrofluorocarbon R1233zd(E) refrigerant. To achieve scalable nanomanufacturing, surfaces were uniformly structured by relying on hydrochloric acid etching of aluminum and chemical oxidation of copper. The etched aluminum surfaces exhibited a 150% increase in heat transfer coefficient compared to smooth aluminum channels at specific qualities, with a 66% heat transfer coefficient improvement for complete phase change from saturated vapor to saturated liquid. Copper oxide structures showed no discernable difference in thermal-hydraulic performance when compared to smooth copper channels. Critical dimensionless parameters governing the heat transfer enhancement were identified by varying the tube internal diameter (2.3 mm to 4.7 mm), refrigerant mass flux (50 to 300 kg/(m 2 ·s)), and refrigerant quality (0 to 1). The dimensionless parameters include the Bond number normalized to the condensate film thickness, and the Weber number modified by the vapor friction factor. The relatively small increase in pressure drop (< 10%) associated with these surface enhancements further supports the promise of this method. The scalable and cost-effective techniques used to create these aluminum microstructures may reduce manufacturing cost when compared with current enhancement approaches such as extrusion, drawing, and welding.

42 ENGINEERING↗
NASA NTRS1973

Ion streaming instabilities with application to collisionless shock wave structure

The electromagnetic dispersion relation for two counterstreaming ion beams of arbitrary relative strength flowing parallel to a dc magnetic field is derived. The beams flow through a stationary electron background and the dispersion relation in the fluid approximation is unaffected by the electron thermal pressure. Magnetic effects on the ion beams are included, but the electrons are treated as a magnetized fluid. The dispersion relation is solved with a zero net current condition applied and the regions of instability in the k-U space (U is the relative velocity between the two ion beams) are presented. These results are extensions of Kovner's analysis for weak beams. The parameters are then chosen to be applicable for parallel shocks. It is found that unstable waves with zero group velocity in the shock frame can exist near the leading edge of the shock for upstream Alfven Mach numbers greater than 5.5.

Golden, K. I.↗
NASA NTRS1989

Generation models of electron conics

Electron distribution functions (EDFs) with a peak oblique to the magnetic field, adjacent to but distinct from loss-cone features, have been observed by the DE 1, Viking, and S3-3 spacecraft in passes through the nightside auroral zone, polar cap, dayside cusp, and extended dayside auroral oval. Using particle simulations, two types of wave excitation and particle acceleration mechanisms which may contribute to producing these electron conic distributions are investigated. The first involves excitation of upper-hybrid waves by the electron loss cone, and the subsequent perpendicular heating of the background and thermal electrons. The second involves excitation of downward propagating parallel modes by an auroral electron beam which frequently accompanies the upflowing electron conics. These modes provide parallel acceleration, which modifies the GDF. Those electrons which are not lost to the atmosphere and mirror back up the magnetic field line give rise to enhancements in the GDF at the edge of the loss cone.

Roth, I.↗
NASA NTRS1995

The He I emission lines of SN 1987A

We model the evolution of the He I lines, especially He I 1.083 micrometers and He I 2.058 micrometers, from the envelope of SN 1987A during the first 3 yr after the explosion. The He I metastable 2(sup 3)S and 2(sup 1)S states are populated by fast electrons resulting from energy deposition by gamma rays and depopulated by electron collisions and two-photon decay. The 2.058 micrometer line is excited mainly by nonthermal electrons at all times. The 1.083 micrometer line is excited mainly by thermal electron impact for t less than or approximately = 450 days and by recombination afterward. We can fit the observed evolution of He I 2.058 micrometers with a model in which approximately 3 solar mass of nearly pure helium and approximately 11 solar mass of hydrogen mixed with primordial helium occupy the volume emitting most of the light (v less than or approximately = 2500 km/s). For t less than or approximately = 450 days, trace carbon in the inner part of the helium suppresses the He I 2.058 micrometer line by photoabsorbing He I lambda 584 and depopulating the 2(sup 1) P(sup 0) state. The observed 1.08 micrometer line is a blend of He I 1.083 micrometers and (S I) 1.082 micrometers. We estimate that He I 1.083 micrometers contributes 40% of the observed flux for t less than or approximately = 550 days and approximately 60% thereafter.

Li, Hongwei↗
NASA NTRS1973

Electron observations in the solar wind and magnetosheath.

Electron temperature measurements taken by a triaxial electron analyzer on Ogo 5 in the solar wind and in the magnetosheath are interpreted. In the interplanetary medium, observations made on the bow shock connected lines of magnetic force have been separated from those made on non-bow-shock connected lines. The dependence of electron thermal properties on the local field geometry is discussed together with features of electron temperature and density discontinuities across the bow shock. The velocity distribution function is characterized together with temperature and density variations in a part of the dawn magnetosheath.

Scudder, J. D.↗