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NASA NTRS1979

Nonequilibrium radiative heating of a Jovian entry body

The influence of nonlocal thermodynamic equilibrium (NLTE) radiative transfer on radiative and convective heating of a Jovian entry body is investigated. The flow in the shock layer is assumed to be axisymmetric, viscous, and in chemical equilibrium. The chemical species considered for the collisional deactivation processes are H2, H, H+. The NLTE radiative transfer equations are derived for multilevel energy transitions. The rotational and vibrational energy modes are assumed to be in local thermodynamic equilibrium. The results indicate that higher-level energy transitions have little influence on the overall NLTE results. The NLTE results, however, are found to be greatly influenced by the temperature distributions in the shock layer. The convective and radiative heating to the entry body are reduced significantly because of the NLTE conditions; the reduction in convective heating, however, is relatively small. The influence of NLTE is found to be greater at higher entry altitudes.

Tiwari, S. N.↗

NASA NTRS1986

Evidence for nonlocal thermodynamic equilibrium in the nu3 mode of mesospheric ozone

Laboratory kinetic studies suggest that an appreciable fraction of the ozone produced by recombination of atomic oxygen is vibrationally excited in the nu3 mode. Further, laboratory data are available for the physical quenching of nu3, its radiative relaxation, and its radiative excitation by resonant absorption. It is shown that these chemical and physical processes are likely to result in substantial departures from local thermodynamic equilibrium for the nu3 mode of ozone in the mesosphere and therefore have important effects on infrared mesospheric ozone measurments by emission in the 9.6-micron band. Implications of these effects on data from the Limb Infrared Monitor of the Stratosphere (Remsberg et al, 1984), particularly their night/day ratio, are discussed.

Solomon, S.↗

DOE OSTI2024

Classical-quantum simulation of non-equilibrium Marshak waves

In the radiation hydrodynamic simulations used to design inertial confinement fusion (ICF) and pulsed power experiments, nonlinear radiation diffusion tends to dominate CPU time. This raises the interesting question of whether a quantum algorithm can be found for nonlinear radiation diffusion which provides a quantum speedup. Recently, such a quantum algorithm was introduced based on a quantum algorithm for solving systems of nonlinear partial differential equations (PDEs) which provides a quadratic quantum speedup. Here, we apply this quantum PDE (QPDE) algorithm to the problem of a non-equilibrium Marshak wave propagating through a cold, semi-infinite, optically thick target, where the radiation and matter fields are not assumed to be in local thermodynamic equilibrium. The dynamics is governed by a coupled pair of nonlinear PDEs which are solved using the QPDE algorithm, as well as two standard PDE solvers: (i) Python's py-pde solver; and (ii) the KULL ICF simulation code developed at Lawrence-Livermore National Laboratory. We compare the simulation results obtained using the QPDE algorithm and the standard PDE solvers and find excellent agreement.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1976

Ionospheric disturbances and gravity waves

The response of ionization to a gravity wave moving through the ionosphere is studied. Hydrodynamic equations are used, and local thermodynamic equilibrium is imposed for simplicity. The treatment involves a perturbation analysis, and the background medium is assumed to be time stationary, horizontally stratified, and known. It is shown that ionization may be locally resonant at each level for certain frequencies and directions, for which condition neutral and ionized particles are considered closely or critically coupled. The phase direction for this critical coupling is always downward in the absence of a magnetic field. A magnetic field results in two resonant directions for the same frequency, and these directions are mostly downward. Observed TID's associated with gravity waves may be indicative of such resonances. It is also noted that strong coupling may occur to neutral acoustic waves at high altitudes. Previous investigations restrict their use of momentum equations to the diffusion equation. The analysis also shows that such restrictions result in the neglect of terms arising from momentum transport due to any background ambipolar diffusion velocity and wave motion. These terms are mostly relevant at higher altitudes.

Eun, H.↗

DOE OSTI2023

Self-consistent and detailed opacities from a non-equilibrium average-atom model

Modern density functional theory (DFT) is a powerful tool for accurately predicting self-consistent material properties such as equations of state, transport coefficients and opacities in high energy density plasmas, but it is generally restricted to conditions of local thermodynamic equilibrium (LTE) and produces only averaged electronic states instead of detailed configurations. We propose a simple modification to the bound-state occupation factor of a DFT-based average-atom model that captures essential non-LTE effects in plasmas—including autoionization and dielectronic recombination—thus extending DFT-based models to new regimes. Finally, we then expand the self-consistent electronic orbitals of the non-LTE DFT-AA model to generate multi-configuration electronic structure and detailed opacity spectra. This article is part of the theme issue ‘Dynamic and transient processes in warm dense matter’.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Improving Predictive Capability in REHEDS Simulations with Fast, Accurate, and Consistent Non-Equilibrium Material Properties

Predictive design of REHEDS experiments with radiation-hydrodynamic simulations requires knowledge of material properties (e.g. equations of state (EOS), transport coefficients, and radiation physics). Interpreting experimental results requires accurate models of diagnostic observables (e.g. detailed emission, absorption, and scattering spectra). In conditions of Local Thermodynamic Equilibrium (LTE), these material properties and observables can be pre-computed with relatively high accuracy and subsequently tabulated on simple temperature-density grids for fast look-up by simulations. When radiation and electron temperatures fall out of equilibrium, however, non-LTE effects can profoundly change material properties and diagnostic signatures. Accurately and efficiently incorporating these non-LTE effects has been a longstanding challenge for simulations. At present, most simulations include non-LTE effects by invoking highly simplified inline models. These inline non-LTE models are both much slower than table look-up and significantly less accurate than the detailed models used to populate LTE tables and diagnose experimental data through post-processing or inversion. Because inline non-LTE models are slow, designers avoid them whenever possible, which leads to known inaccuracies from using tabular LTE. Because inline models are simple, they are inconsistent with tabular data from detailed models, leading to ill-known inaccuracies, and they cannot generate detailed synthetic diagnostics suitable for direct comparisons with experimental data. This project addresses the challenge of generating and utilizing efficient, accurate, and consistent non-equilibrium material data along three complementary but relatively independent research lines. First, we have developed a relatively fast and accurate non-LTE average-atom model based on density functional theory (DFT) that provides a complete set of EOS, transport, and radiative data, and have rigorously tested it against more sophisticated first-principles multi-atom DFT models, including time-dependent DFT. Next, we have developed a tabular scheme and interpolation methods that compactly capture non-LTE effects for use in simulations and have implemented these tables in the GORGON magneto-hydrodynamic (MHD) code. Finally, we have developed post-processing tools that use detailed tabulated non-LTE data to directly predict experimental observables from simulation output.

36 MATERIALS SCIENCE↗

NASA NTRS1976

Statistical equilibrium calculations for silicon in early-type model stellar atmospheres

Line profiles of 36 multiplets of silicon (Si) II, III, and IV were computed for a grid of model atmospheres covering the range from 15,000 to 35,000 K in effective temperature and 2.5 to 4.5 in log (gravity). The computations involved simultaneous solution of the steady-state statistical equilibrium equations for the populations and of the equation of radiative transfer in the lines. The variables were linearized, and successive corrections were computed until a minimal accuracy of 1/1000 in the line intensities was reached. The common assumption of local thermodynamic equilibrium (LTE) was dropped. The model atmospheres used also were computed by non-LTE methods. Some effects that were incorporated into the calculations were the depression of the continuum by free electrons, hydrogen and ionized helium line blocking, and auto-ionization and dielectronic recombination, which later were found to be insignificant. Use of radiation damping and detailed electron (quadratic Stark) damping constants had small but significant effects on the strong resonance lines of Si III and IV. For weak and intermediate-strength lines, large differences with respect to LTE computations, the results of which are also presented, were found in line shapes and strengths. For the strong lines the differences are generally small, except for the models at the hot, low-gravity extreme of our range. These computations should be useful in the interpretation of the spectra of stars in the spectral range B0-B5, luminosity classes III, IV, and V.

Kamp, L. W.↗

NASA NTRS1989

Evidence from the limb infrared monitor of the stratosphere for nonlocal thermodynamic equilibrium in the nu2 mode of mesospheric water vapour and the nu3 mode of stratospheric nitrogen dioxide

Data from the 6.9-micron H2O channel and the 6.2-micron NO2 channel of the Nimbus 7 Limb Infrared Monitor of the Stratosphere (LIMS) have been used to investigate the daytime enhancement to H2O; the high concentration of H2O sometimes observed in the polar night mesosphere; and the high ratio of daytime to nighttime NO2 in the upper stratosphere. These three phenomena deviate noticeably from the predictions of photochemical theory. The 20 to 30 percent diurnal variation in stratospheric H2O apparent in LIMS data cannot be reconciled with a photochemical lifetime in excess of four months. This is attributed to departure from local thermodynamic equilibrium of daytime emission which had not been accounted for in retrievals. Speculative possibilities of NLTE emission from the H2O nu2 and NO2 nu3 hot bands are discussed. It is found that the nonthermal emission from NO2 significantly affects retrieval of H2O in the polar nighttime and NO2 in the daytime stratosphere at low latitudes.

Kerridge, Brian J.↗

NASA NTRS1994

A multiline, multiresolution VLA study of the ultracompact H II region G29.96-0.02

A non-local thermodynamic equilibrium (non-LTE) analysis is presented for high spatial resolution observations of H 110 alpha, H 66 alpha, and H 42 alpha toward the cometary ultracompact (UC) H II region G29.96-0.02. We find a mean Tau(sub e) approximately 6500 K and local n(sub e) approximately 5 x 10(exp 4)/cu cm in the leading arc and n(sub e) approximately 2 x 10(exp 4)/cu cm in the tail. Impact broadening is significant in H 110 alpha, implied by a reduction in the peak line amplitude by as much as 50% in the leading arc. The morphology of the line emission and the line profiles are consistent with a bow shock.

Afflerbach, A.↗

NASA NTRS1994

Equilibrium structure of solar magnetic flux tubes: Energy transport with multistream radiative transfer

We examine the equilibrium structure of vertical intense magnetic flux tubes on the Sun. Assuming cylindrical geometry, we solve the magnetohydrostatic equations in the thin flux-tube approximation, allowing for energy transport by radiation and convection. The radiative transfer equation is solved in the six-stream approximation, assuming gray opacity and local thermodynamic equilibrium. This constitutes a significant improvement over a previous study, in which the transfer was solved using the multidimensional generalization of the Eddington approximation. Convection in the flux tube is treated using mixing-length theory, with an additional parameter alpha, characterizing the suppression of convective energy transport in the tube by the strong magnetic field. The equations are solved using the method of partial linearization. We present results for tubes with different values of the magnetic field strength and radius at a fixed depth in the atmosphere. In general, we find that, at equal geometric heights, the temperature on the tube axis, compared to the ambient medium, is higher in the photosphere and lower in the convection zone, with the difference becoming larger for thicker tubes. At equal optical depths the tubes are generally hotter than their surroundings. The results are comparatively insensitive to alpha but depend upon whether radiative and convective energy transport operate simultaneously or in separate layers. A comparison of our results with semiempirical models shows that the temperature and intensity contrast are in broad agreement. However, the field strengths of the flux-tube models are somewhat lower than the values inferred from observations.

Hasan, S. S.↗

DOE OSTI2023

Quantifying Energy Conversion in Higher-Order Phase Space Density Moments in Plasmas

Weakly collisional and collisionless plasmas are typically far from local thermodynamic equilibrium (LTE), and understanding energy conversion in such systems is a forefront research problem. The standard approach is to investigate changes in internal (thermal) energy and density, but this omits energy conversion that changes any higher-order moments of the phase space density. In this Letter, we calculate from first principles the energy conversion associated with all higher moments of the phase space density for systems not in LTE. Particle-in-cell simulations of collisionless magnetic reconnection reveal that energy conversion associated with higher-order moments can be locally significant. Furthermore, the results may be useful in numerous plasma settings, such as reconnection, turbulence, shocks, and wave-particle interactions in heliospheric, planetary, and astrophysical plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1995

EUVE spectroscopy of epsilon Canis Majoris (B2 II) from 70 to 730 A

We present spectra of the brightest stellar source of extreme ultraviolet (EUV) radiation longward of 400 A, the B2 II star, epsilon CMa. These data were taken with the three spectrometers aboard the NASA Extreme Ultraviolet Explorer satellite (EUVE) during the first cycle of pointed observations. We report on our initial studies of the continuum and line spectrum of the stellar photosphere in the 320 to 730 A region, and on the wind emission lines observed in the 170-375 A region. This is the first EUV spectrum of an early-type star, and thus makes epsilon CMa the most comprehensively observed B star from the X-ray to infrared regimes. The radiation in both the H Lyman continuum and He I continuum (shortward of 504 A) are found to be significantly greater than predicted by both Local Thermodynamic Equilibrium (LTE) and non-LTE model atmospheres. Since epsilon CMa also exhibits a mid-infrared excess, this points to the outer layers being warmer than the models indicate. The anomalously large Lyman continuum flux, combined with the very low column density measured in the direction toward this star implies that it is the dominant source of hydrogen ionization of the local interstellar medium in the immediate vicinity of the sun. All of the lines predicted to be strong from model atmospheres are present and several wind absorption features are also identified. We have detected emission lines from highly ionized iron that are consistent with the ROSAT Position Sensitive Proportional Counter (PSPC) observations if a multi-temperature emission model is used, and the assumption is made that there is significant absorption beyond that of the neutral phase of the ISM. The spectrum shows strong O III 374 A line emission produced by the Bowen flourescence mechanism, which has not previously been observed in the spectra of hot stars.

Cassinelli, J. P.↗

DOE OSTI2026

Quantum scattering of HC 5 N and para -H 2 on a new potential energy surface

In the interstellar medium (ISM), non-local thermodynamic equilibrium situations are common due to low density, and one needs to consider the effect of molecular collisions in order to interpret the observations. Among the species detected in the ISM, cyanopolyynes, with the general molecular formula HC 2n+1 N (n = 1, 2, …), are characterized by large dipole moments and small rotational constants and constitute an indispensable class of candidates for the sensitive tracers of local density and temperature. We present a study of the collisional (de-) excitation of HC 5 N by para -H 2 (p-H 2 ) in its ground rotational state, namely HC 5 N ( j 1 ) + H 2 ( j 2 = 0) → HC 5 N (j$_1^′$) + H2 (j$_2^′$ = 0), where j 1 (or j$_1^′$) and j 2 (or j$_2^′$) denote the initial (or final) rotational quantum numbers of HC 5 N and H 2 , respectively. We performed the quantum scattering calculations at low collision energy using a new four-dimensional ab initio potential energy surface. In the regime where p-H 2 remains in its rotational ground state, converged cross sections did not require including excited rotational states of p-H 2 in the rotational basis. State-to-state cross sections were computed by means of the quantum-mechanical close-coupling (CC) method and the coupled states (CS) approximation, and rate coefficients for the first 61 levels of HC 5 N were computed for the first time up to 20 K with the CC approach and up to 50 K with the CS method. CC and CS results were found to agree well at temperatures up to 20 K. Finally, these data should allow a more accurate derivation of the HC 5 N abundance in molecular clouds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1982

Evaluation of upwelling infrared radiance in a nonequilibrium nonhomogeneous atmosphere

The influence of vibrational nonequilibrium upon upwelling infrared radiance from the earth's atmosphere is investigated. By employing the line-by-line model for spectral absorption, heating rates and upwelling radiances are calculated for equilibrium and nonequilibrium conditions in the spectral range of 4.7 micron CO and 3.3 micron CH4 bands. Heating rates are calculated also for the 15 micron CO2 band and are compared with other available results in the literature. For the spectral range of the CO fundamental band, the influence of different parameters on the upwelling radiance is investigated. It is found that for CO the assumption of local thermodynamic equilibrium (LTE) is not justified at tropospheric temperatures and pressures. If the resonance effects of CO-N2 collisions are considered, then the assumption of LTE is justified up to 60 kilometers. This information is very useful for measurement of atmospheric pollutants, earth radiation budget studies and climate modeling, and infrared signature works.

Tiwari, S. N.↗

NASA NTRS1984

Radiative-convective equilibrium models of Jupiter and Saturn

Radiative-convective equilibrium models for Jupiter and Saturn have been produced in a study concentrating on the stratospheric energy balance and the possible role of aerosol heating. These models are compared directly with the thermal structure profiles obtained from Voyager radio occultation measurements. The method is based on a straightforward flux divergence formulation derived from earlier work. The balance between absorbed and emitted energies is computed iteratively at each level in the atmosphere, assuming local thermodynamic equilibrium and employing a standard treatment of opacities. Results for Jupiter indicate that a dust-free model furnishes a good mean thermal profile for the stratosphere when compared with the Voyager 1 radio occultation measurements. Observations of the equatorial region exhibit periodic vertical structure. The Saturn models are relatively simple and in good agreement with the Voyager 2 radio occultation temperature profiles at all levels. Aerosol heating played a minor role in Saturn's midlatitude stratospheric energy balance at the time of the Voyager 2 encounter.

Appleby, J. F.↗

NASA NTRS1983

Dielectronic recombination rates, ionization equilibrium, and radiative emission rates for Mn ions in low-density high-temperature plasmas

The analysis of optically-thin far-ultraviolet and X-ray emission lines of multiply-charged ions is one of the basic methods for determining the temperatures and densities of laboratory and astrophysical plasmas. In addition, the energy balance in these plasmas can be significantly influenced by the emission of radiation from relatively low concentrations of multiple-charged atomic ions. Because the populations of the excited levels are expected to depart substantially from their local thermodynamic equilibrium values a detailed treatment of the elementary collisional and radiative processes must be employed in order to predict the emission line intensities. In this investigation the authors present the results of calculations based on a corona equilibrium model in which a detailed evaluation is made of the dielectronic recombination rate coefficients. The ionization and autoionization following inner-shell electron excitation from each ground state are balanced by direct radiative and dielectronic recombination. The spectral line intensities emitted by the low-lying excited states, which are assumed to undergo spontaneous radiative decay in times that are short compared with the collision time, are evaluated in terms of the corona ionization equilibrium distributions of the ground states and their electron-impact excitation states.

Jacobs, V. L.↗

NASA NTRS1994

Dynamic processes in Be star atmospheres. 2: He I 2P-nD line formation in lambda Eridani (outburst)

The He I lambda 6678 line of early Be stars generally shows violet (V) and red (R) emission whenever hydrogen alpha emission is present, but its use as a diagnostic has been handicapped by a poor understanding of the processes that drive it into emission. In an attempt to address this problem we obtained three series of eschelle spectra of the first two members of the singlet and triplet 2P-nD series of lambda Eri (B2e) during 1992 November 3-5 at Kitt Peak. During these observations lambda 6678 showed substantial emission variability in both the wings and central profile, providing an opportunity to compare its behavior with that of the lambda 4922, lambda 5876, and lambda 4471 lines. We found that the responses of the lines were different in several respects. Whereas the emissions in the V wings of all four lines scaled together, the R wing of the lambda 4922 line invariably responded with increased absorption whenever the R wing of lambda 6678 line showed increased emission. These same trends occurred within the central photospheric profiles. The R-wing behavior shows that much, but not all of the emission in lambda 6678 is caused by matter projected against the stellar disk. The excitation temperatures of the neighboring 2(sup 1) P transitions, lambda 6678 and lambda 4922 must be greater than and less than the photospheric continuum temperature, respectively. We have investigated departures from local thermodynamic equilibrium (LTE) for the He I spectrum in a variety of ad hoc, perturbed model atmospheres. We have found only one way to cause the source function of lambda 6678 to increase so strongly, namely, by increasing the atmospheric temperature in the line formation region to 30,000 - 40,000 K. This effect was discovered by Auer and Mihalas for O3-O4 atmospheric models, but it has not been applied to active B stars. Our models suggest that lambda 6678 emission in Be stars can be used as a sensitive monitor of localized hot spots on these stars' surfaces. The energies involved in heating the active portions of the atmosphere are too high to be produced by gravitational infall. This leaves magnetically induced flares among the few known processes on the surfaces of stars capable of sustaining this energy level.

Smith, Myron A.↗

NASA NTRS1994

Three-dimensional radiative transfer on a massively parallel computer

We perform 3D radiative transfer calculations in non-local thermodynamic equilibrium (NLTE) in the simple two-level atom approximation on the Mas-Par MP-1, which contains 8192 processors and is a single instruction multiple data (SIMD) machine, an example of the new generation of massively parallel computers. On such a machine, all processors execute the same command at a given time, but on different data. To make radiative transfer calculations efficient, we must re-consider the numerical methods and storage of data. To solve the transfer equation, we adopt the short characteristic method and examine different acceleration methods to obtain the source function. We use the ALI method and test local and non-local operators. Furthermore, we compare the Ng and the orthomin methods of acceleration. We also investigate the use of multi-grid methods to get fast solutions for the NLTE case. In order to test these numerical methods, we apply them to two problems with and without periodic boundary conditions.

Vath, H. M.↗