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NASA NTRS1979

Calculation of radiative properties of nonequilibrium hydrogen plasma

A computer program called NEQRAP is described that calculates the radiative properties of nonequilibrium ionized hydrogen. From the given electron temperature, electron density, and atom density values (which do not necessarily satisfy the equilibrium relationship) and intensities of incident radiation, the non-Boltzmann populations of electronic states are computed by solving the equation of quasi-steady-state population distribution. Emission and absorption coefficients are determined as functions of wavelength by invoking the principle of detailed balance between the upper and lower states of each radiative transition. Radiative transport through the medium is computed assuming a one-dimensional uniform slab. The rate of ionic reaction is also computed. When used on a sample case, the program shows that there is a large difference between the calculated intensities of radiation emitted by a bulk of equilibrium and nonequilibrium hydrogen. The accuracy of the program is estimated to be better than 10%.

Park, C.↗

NASA NTRS1980

An extended soft-cube model for the thermal accommodation of gas atoms on solid surfaces

A numerical soft cube model was developed for calculating thermal accommodation coefficients alpha and trapping fractions f sub t for the interaction of gases incident upon solid surfaces. A semiempirical correction factor c which allows the calculation of alpha and f sub t when the collision times are long compared to the surface oscillator period were introduced. The processes of trapping, evaporation, and detailed balancing were discussed. The numerical method was designed to treat economically and with moderate (+ or - 20 percent) accuracy the dependence of alpha and f sub t on finite and different surface and gas temperatures for a large number of gas/surface combinations. Comparison was made with experiments of rare gases on tungsten and on alkalis, as well as one astrophysical case of H2 on graphite. The dependence of alpha on the soft cube dimensionless parameters is presented graphically.

Burke, J. R.↗

NASA NTRS1981

Far-infrared observations of shocked CO in Orion

The J = 27-26 and J = 30-29 transitions of CO have been detected in the Orion molecular cloud. These detections, together with an improved measurement of the J = 21-20 transition, allow estimation of the temperature and density of the shocked material and the fractional abundance of CO. By solving the equations of detailed balance for J less than or equal to 50 and fitting the data to a two-component model consistent with earlier 2-micron and 12-micron H2 observations, it is shown that the hot (2000 K) component has a density of approximately 1.0 x 10 to the 6th/cu cm, while the cooler component lies in the range of 400-1000 K and is 2-5 times more dense. Approximately 25% of the carbon is in the form of CO. The spatial extent of the hot CO has also been examined by observing the J = 21-20 transition at a number of positions, and it is found to be distributed similarly to the H2 lines. In addition, a search for J = 21-20 and J = 22-21 CO emission from six other sources has resulted in 3-standard-deviation upper limits of a factor of 10 below the intensity of the Orion lines.

Storey, J. W. V.↗

NASA NTRS1981

Recombination coefficients for iron ions

Radiative recombination coefficients for all Fe ions are calculated by use of the Milne relation of detailed balance. Analytic fits are made to the dielectronic recombination rates computed by Jacobs (1977) and the Burgess general formula (1965). Higher level rates are treated hydrogenically by a quantum defect method based on the energies of the levels. Recombination coefficients for Fe I to Fe 26 are listed.

Woods, D. T.↗

NASA NTRS1984

The Solar Constant, Climate, and Some Tests of the Storage Hypothesis

Activity related modulation of the solar constant can have practical consequences for climate only if storage is involved, as opposed to a detailed balance between sunspot blocking and facular reemission. Four empirical tests are considered that might distinguish between these opposing interpretations: monochromatic measurements of positive and negative flux; comparison of modelled and measured irradiance variations; the interpretation of secular trends in irradiance data; and the direct test of an anticipated signal in climate records of surface air temperature. The yet unanswered question of the role of faculae as possible reemitters of blocked radiation precludes a definitive answer, although other tests suggest their role to be minor, and that storage and an 11 year modulation is implicated. A crucial test is the behavior of the secular trend in irradiance in the declining years of the present activity cycle.

Eddy, J. A.↗

NASA NTRS1985

Activated recombinative desorption: A potential component in mechanisms of spacecraft glow

The concept of activated recombination of atomic species on surfaces can explain the production of vibrationally and translationally excited desorbed molecular species. Equilibrium statistical mechanics predicts that the molecular quantum state distributions of desorbing molecules is a function of surface temperature only when the adsorption probability is unity and independent of initial collision conditions. In most cases, the adsorption probability is dependent upon initial conditions such as collision energy or internal quantum state distribution of impinging molecules. From detailed balance, such dynamical behavior is reflected in the internal quantum state distribution of the desorbing molecule. This concept, activated recombinative desorption, may offer a common thread in proposed mechanisms of spacecraft glow. Using molecular beam techniques and equipment available at Los Alamos, which includes a high translational energy 0-atom beam source, mass spectrometric detection of desorbed species, chemiluminescence/laser induced fluorescence detection of electronic and vibrationally excited reaction products, and Auger detection of surface adsorbed reaction products, a fundamental study of the gas surface chemistry underlying the glow process is proposed.

Cross, J. B.↗

NASA NTRS1985

High-efficiency silicon solar-cell design and practical barriers

A numerical evaluation technique is used to study the impact of practical barriers, such as heavy doping effects (Auger recombination, band gap narrowing), surface recombination, shadowing losses and minority-carrier lifetime (Tau), on a high efficiency silicon solar cell performance. Considering a high Tau of 1 ms, efficiency of a silicon solar cell of the hypothetical case is estimated to be around 29%. This is comparable with (detailed balance limit) maximum efficiency of a p-n junction solar cell of 30%. Value of Tau is varied from 1 second to 20 micro. Heavy doping effects, and realizable values of surface recombination velocities and shadowing, are then considered in succession and their influence on cell efficiency is evaluated and quantified. These practical barriers cause the cell efficiency to reduce from the maximum value of 29% to the experimentally achieved value of about 19%. Improvement in open circuit voltage V sub oc is required to achieve cell efficiency greater than 20%. Increased value of Tau reduces reverse saturation current and, hence, improves V sub oc. Control of surface recombination losses becomes critical at higher V sub oc. Substantial improvement in Tau and considerable reduction in surface recombination velocities is essential to achieve cell efficiencies greater than 20%.

Mokashi, A.↗

NASA NTRS1986

Review and analysis of high temperature chemical reactions and the effect of non-equilibrium conditions

Chemical reactions at high temperatures have been considered extensively because of their importance to the heating effects on re-entry of space vehicles. Data on these reactions however, are not abundant and even when found there are discrepancies in data collected by various investigators. In particular, data for recombination reactions are calculated from the dissociation reactions or vice versa through the equilibrium constant. This involves the use of the principle of detailed balancing. This principle is discussed in reference to conditions where it is valid as well as to those where it is not valid. Related topics that merit further study or for which applicable information was available are briefly mentioned in an appendix to this report.

Johnson, R. E.↗

NASA NTRS1987

Non-equilibrium effects in high temperature chemical reactions

Reaction rate data were collected for chemical reactions occurring at high temperatures during reentry of space vehicles. The principle of detailed balancing is used in modeling kinetics of chemical reactions at high temperatures. Although this principle does not hold for certain transient or incubation times in the initial phase of the reaction, it does seem to be valid for the rates of internal energy transitions that occur within molecules and atoms. That is, for every rate of transition within the internal energy states of atoms or molecules, there is an inverse rate that is related through an equilibrium expression involving the energy difference of the transition.

Johnson, Richard E.↗

NASA NTRS1989

State-to-state rotational phase coherence effect on the vibration-rotation band shape - An accurate quantum calculation for CO-He

Accurate coupled state calculations of line coupling are performed for infrared lines of carbon monoxide perturbed by helium. Such calculations lead to both real and imaginary line couplings. For the first time, the effect of this imaginary line couplings, connected with state-to-state rotational phase coherences, on infrared band shape, is analyzed. An extension of detailed balance principle to the complex plane is suggested from the present computed off-diagonal cross sections. This allows us to understand the physical mechanism underlying the weak effect of phase coherences on CO-He infrared band shape.

Boissoles, J.↗

NASA NTRS1991

Analysis of vibrational-translational energy transfer using the direct simulation Monte Carlo method

A new model is proposed for energy transfer between the vibrational and translational modes for use in the direct simulation Monte Carlo method (DSMC). The model modifies the Landau-Teller theory for a harmonic oscillator and the rate transition is related to an experimental correlation for the vibrational relaxation time. Assessment of the model is made with respect to three different computations: relaxation in a heat bath, a one-dimensional shock wave, and hypersonic flow over a two-dimensional wedge. These studies verify that the model achieves detailed balance, and excellent agreement with experimental data is obtained in the shock wave calculation. The wedge flow computation reveals that the usual phenomenological method for simulating vibrational nonequilibrium in the DSMC technique predicts much higher vibrational temperatures in the wake region.

Boyd, Iain D.↗

NASA NTRS1993

Infrared coronal emission lines and the possibility of their maser emission in Seyfert nuclei

Energetic emitting regions have traditionally been studied via x-ray, UV and optical emission lines of highly ionized intermediate mass elements. Such lines are often referred to as 'coronal lines' since the ions, when produced by collisional ionization, reach maximum abundance at electron temperatures of approx. 10(exp 5) - 10(exp 6) K typical of the sun's upper atmosphere. However, optical and UV coronal lines are also observed in a wide variety of Galactic and extragalactic sources including the Galactic interstellar medium, nova shells, supernova remnants, galaxies and QSOs. Infrared coronal lines are providing a new window for observation of energetic emitting regions in heavily dust obscured sources such as infrared bright merging galaxies and Seyfert nuclei and new opportunities for model constraints on physical conditions in these sources. Unlike their UV and optical counterparts, infrared coronal lines can be primary coolants of collisionally ionized plasmas with 10(exp 4) less than T(sub e)(K) less than 10(exp 6) which produce little or no optical or shorter wavelength coronal line emission. In addition, they provide a means to probe heavily dust obscured emitting regions which are often inaccessible to optical or UV line studies. In this poster, we provide results from new model calculations to support upcoming Infrared Space Observatory (ISO) and current ground-based observing programs involving infrared coronal emission lines in AGN. We present a complete list of infrared (lambda greater than 1 micron) lines due to transitions within the ground configurations 2s(2)2p(k) and 3s(2)3p(k) (k = 1 to 5) or the first excited configurations 2s2p and 3s3p of highly ionized (x greater than or equal to 100 eV) astrophysically abundant (n(X)/n(H) greater than or equal to 10(exp -6)) elements. Included are approximately 74 lines in ions of O, Ne, Na, Mg, Al, Si, S, Ar, Ca, Fe, and Ni spanning a wavelength range of approximately 1 - 280 microns. We present new results from detailed balance calculations, new critical densities for collisional de-excitation, intrinsic photon rates, branching ratios, and excitation temperatures for the majority of the compiled transitions. The temperature and density parameter space for dominant cooling via infrared coronal lines is presented, and the relationship of infrared to optical coronal lines is discussed.

Greenhouse, Matthew A.↗

NASA NTRS1993

Raman linewidths and rotationally inelastic collision rates in nitrogen

Using the N2-N2 interaction potential of van der Avoird et al. (1986) rotationally inelastic collision cross sections have been computed within the infinite order sudden (IOS) approximation, assuming the molecules are distinguishable. Methods for enforcing detailed balance and correcting for effects of inelasticity, which are ignored in the IOS approximation, are considered, including the energy corrected sudden (ECS) method. Suitably averaged cross sections are compared with experimental Raman Q-branch linewidths for temperatures from 295 to 1500 K and with recently measured room temperature state-to-state rates. Agreement is rather good, especially if ECS corrections are applied.

Green, Sheldon↗

NASA NTRS1993

Infrared coronal emission lines and the possibility of their laser emission in Seyfert nuclei

Results are presented from detailed balance calculations, and a compilation of atomic data and other model calculations designed to support upcoming ISO and current observing programs involving IR coronal emission lines, together with a table with a complete line list of infrared transitions within the ground configurations 2s2 2p(k), 3s2 3p(k), and the first excited configurations 2s 2p and 3s 3p of highly ionized astrophysically abundant elements. The temperature and density parameter space for dominant cooling via IR coronal lines is presented, and the relationship of IR and optical coronal lines is discussed. It is found that, under physical conditions found in Seyfert nuclei, 14 of 70 transitions examined have significant population inversions in levels that give rise to IR coronal lines. Several IR coronal line transitions were found to have laser gain lengths that correspond to column densities of 10 exp 24-25/sq cm which are modeled to exist in Seyfert nuclei. Observations that can reveal inverted level populations and laser gain in IR coronal lines are suggested.

Greenhouse, Matthew A.↗

NASA NTRS2002

The Frequency Detuning Correction and the Asymmetry of Line Shapes: The Far Wings of H2O-H2O

A far-wing line shape theory which satisfies the detailed balance principle is applied to the H2O-H2O system. Within this formalism, two line shapes are introduced, corresponding to band-averages over the positive and negative resonance lines, respectively. Using the coordinate representation, the two line shapes can be obtained by evaluating 11-dimensional integrations whose integrands are a product of two factors. One depends on the interaction between the two molecules and is easy to evaluate. The other contains the density matrix of the system and is expressed as a product of two 3-dimensional distributions associated with the density matrices of the absorber and the perturber molecule, respectively. If most of the populated states are included in the averaging process, to obtain these distributions requires extensive computer CPU time, but only have to be computed once for a given temperature. The 11-dimensional integrations are evaluated using the Monte Carlo method, and in order to reduce the variance, the integration variables are chosen such that the sensitivity of the integrands on them is clearly distinguished.

Ma, Q.↗

NASA NTRS1999

Validity of the Relation Between Spontaneous and Stimulated Emissions in Semiconductors

The Einstein relation between spontaneous emission and absorption was originally derived for a system consists of a two-state subsystem representing matter and harmonic fields representing radiation. The derivation is based on the detailed balance between these two subsystems under thermal equilibrium. The relationship was later investigated in connection with the interactions between radiation field and solids or semiconductors. The simple derivation dose not hold for semiconductors in general. In certain limiting cases, simple relation was obtained. The validity of this relation is important not only because of its fundamental role connecting two of the most fundamental optical processes in semiconductors, but mostly also because of its wide use as a practical method to measure the optical gain of a semiconductor. The validity of this relation for semiconductors has been an issue of controversial for some time. In this paper we numerically examine the validity of this relationship for several different lineshapes including Lorentzian, Gaussian, Sech, and a convoluted double Lorentzians (CDL). We find out that at relatively low density above transparency level, all first three lineshapes violate the Einstein relation. The relation is approximately valid at high density. At very high density, the validity of the Einstein relation holds well for all three lineshapes. The reason behind this observation is explained. The CDL lineshape has been shown analytically to obey the Einstein relationship previously. We show that for a 2D semiconductor with parabolic bands, the CDL lineshape can be integrated analytically. This analytic lineshape is compared with a simple Lorentzian lineshape.

Ning, Cun-Zheng↗

NASA NTRS2018

Hybrid Reduced Order Model for N2-N2 Interactions for Application to Dissociation and Energy Transfer Processes

This work presents a general framework for model reduction of non-equilibrium energy transfer and dissociation processes. The multi-group maximum-entropy method is coupled with the quasi-classical trajectory method to directly construct a reduced order model for chemical non-equilibrium. Kinetic data is calculated by applying detailed balance at a microscopic level, overcoming the limitation of calculating recombination kinetic data. This approach enables the construction of a reduced order model for kinetics which bypasses the need to compute state-to-state kinetic data. This physics based reduced order model ensures that an equilibrium distribution is reached given infinite time, while allowing for non-equilibrium distributions during the relaxation and dissociation processes. A proof-of-concept test case demonstrates the applicability of this model by comparison with state-to-state kinetic data for the N2(Chi (sup 1) Sigma ((sub g), (sup plus sign)) minus N ((exp 4) S (sub u)) system with excellent agreement.

Maximum Entropy↗

NASA NTRSDate not supplied

Thermoradiative Cell Technology: Analysis and Loss Mechanisms

The thermoradiative cell is a solid-state device for conversion of heat energy to electrical power. The maximum power point bias for a thermoradiative cell is derived from detailed balance considerations, and the effects of parasitic thermal emissivity on the conversion efficiency is considered.

Thermoradiative cell↗