A density matrix approach to multiconfiguration calculations
Determination of density matrix components for multiconfiguration wave functions and Hamiltonian interaction matrices
Harriman, J. E.↗
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Self-consistent many-electron theory of electron work functions and surface potential characteristics for selected metals
Electron work functions, surface potentials, and electron number density distributions and electric fields in the surface region of 26 metals were calculated from first principles within the free electron model. Calculation proceeded from an expression of the total energy as a functional of the electron number density, including exchange and correlation energies, as well as a first inhomogeneity term. The self-consistent solution was obtained via a variational procedure. Surface barriers were due principally to many-body effects; dipole barriers were small only for some alkali metals, becoming quite large for the transition metals. Surface energies were inadequately described by this model, which neglects atomistic effects. Reasonable results were obtained for electron work functions and surface potential characteristics, maximum electron densities varying by a factor of over 60.
Smith, J. R.↗
On the flux and the energy spectrum of interstellar ions in the solar system
The flux density of ions created by ionization of interstellar neutral particles in the solar system and picked up by the solar wind is calculated as a function of the neutral particles. For atomic hydrogen the flux density is estimated to exceed 10,000/sq cm/sec over the distance range from a few to nearly 100 AU. The velocity space distribution of the interstellar ions is calculated under the assumption of no significant energy diffusion but with inclusion of adiabatic effects as well as a possible strong pitch angle diffusion. The energy spectrum is highly nonthermal and much broader than that of the solar wind ions; interstellar protons are easily distinguishable from solar wind protons by their location in velocity space. If charge exchange is an important contributor to the ionization of hydrogen, the observed local intensity of interstellar protons should exhibit time variations correlated with the density changes of the solar wind stream structure.
Vasyliunas, V. M.↗
Electronic and total energy properties of ternary and quaternary semiconductor compounds, alloys, and superlattices: Theoretical study of Cu/graphite bonding
The goals of the research were to provide a fundamental science basis for why the bonding of Cu to graphite is weak, to critically evaluate the previous analysis of the wetting studies with particular regard to the values used for the surface energies of Cu and graphite, and to make recommendations for future experiments or other studies which could advance the understanding and solution of this technological problem. First principles electronic structure calculations were used to study the problem. These are based on density functional theory in the local density approximation and the use of the linear muffin-tin orbital band structure method. Calculations were performed for graphite monolayers, single crystal graphite with the hexagonal AB stacking, bulk Cu, Cu(111) surface, and Cu/graphite superlattices. The study is limited to the basal plane of graphite because this is the graphite plane exposed to Cu and graphite surface energies and combined with the measured contact angles to evaluate the experimental adhesion energy.
Lambrecht, Walter R. L.↗
Different approaches of spectral analysis
Several approaches to the problem of the calculation of spectral power density of a random function from an estimate of the autocorrelation function were studied. A comparative study was presented of these different methods. The principles on which they are based and the hypothesis implied were pointed out. Some indications on the optimization of the length of the estimated correlation function was given. An example of application of the different methods discussed in this paper was included.
Lacoume, J. L.↗
The PDF method for turbulent combustion
Probability Density Function (PDF) methods provide a means of calculating the properties of turbulent reacting flows. They have been successfully applied to many turbulent flames, including some with finite rate kinetic effects. Here the methods are reviewed with an emphasis on computational issues and their application to turbulent combustion.
Pope, S. B.↗
Testing for the Gaussian nature of cosmological density perturbations through the three-point temperature correlation function
One of the crucial aspects of density perturbations that are produced by the standard inflation scenario is that they are Gaussian where seeds produced by topological defects tend to be non-Gaussian. The three-point correlation function of the temperature anisotropy of the cosmic microwave background radiation (CBR) provides a sensitive test of this aspect of the primordial density field. In this paper, this function is calculated in the general context of various allowed non-Gaussian models. It is shown that the Cosmic Background Explorer and the forthcoming South Pole and balloon CBR anisotropy data may be able to provide a crucial test of the Gaussian nature of the perturbations.
Luo, Xiaochun↗
Evaluation of joint probability density function models for turbulent nonpremixed combustion with complex chemistry
Two types of mixing sub-models are evaluated in connection with a joint-scalar probability density function method for turbulent nonpremixed combustion. Model calculations are made and compared to simulation results for homogeneously distributed methane-air reaction zones mixing and reacting in decaying turbulence within a two-dimensional enclosed domain. The comparison is arranged to ensure that both the simulation and model calculations a) make use of exactly the same chemical mechanism, b) do not involve non-unity Lewis number transport of species, and c) are free from radiation loss. The modified Curl mixing sub-model was found to provide superior predictive accuracy over the simple relaxation-to-mean submodel in the case studied. Accuracy to within 10-20% was found for global means of major species and temperature; however, nitric oxide prediction accuracy was lower and highly dependent on the choice of mixing sub-model. Both mixing submodels were found to produce non-physical mixing behavior for mixture fractions removed from the immediate reaction zone. A suggestion for a further modified Curl mixing sub-model is made in connection with earlier work done in the field.
Smith, N. S. A.↗
Statistical Short-Range Guidance for Peak Wind Speed Forecasts on Kennedy Space Center/Cape Canaveral Air Force Station: Phase I Results
This report describes the results of the ANU's (Applied Meteorology Unit) Short-Range Statistical Forecasting task for peak winds. The peak wind speeds are an important forecast element for the Space Shuttle and Expendable Launch Vehicle programs. The Keith Weather Squadron and the Spaceflight Meteorology Group indicate that peak winds are challenging to forecast. The Applied Meteorology Unit was tasked to develop tools that aid in short-range forecasts of peak winds at tower sites of operational interest. A 7 year record of wind tower data was used in the analysis. Hourly and directional climatologies by tower and month were developed to determine the seasonal behavior of the average and peak winds. In all climatologies, the average and peak wind speeds were highly variable in time. This indicated that the development of a peak wind forecasting tool would be difficult. Probability density functions (PDF) of peak wind speed were calculated to determine the distribution of peak speed with average speed. These provide forecasters with a means of determining the probability of meeting or exceeding a certain peak wind given an observed or forecast average speed. The climatologies and PDFs provide tools with which to make peak wind forecasts that are critical to safe operations.
Lambert, Winifred C.↗
Extended Statistical Short-Range Guidance for Peak Wind Speed Analyses at the Shuttle Landing Facility: Phase II Results
This report describes the results from Phase II of the AMU's Short-Range Statistical Forecasting task for peak winds at the Shuttle Landing Facility (SLF). The peak wind speeds are an important forecast element for the Space Shuttle and Expendable Launch Vehicle programs. The 45th Weather Squadron and the Spaceflight Meteorology Group indicate that peak winds are challenging to forecast. The Applied Meteorology Unit was tasked to develop tools that aid in short-range forecasts of peak winds at tower sites of operational interest. A seven year record of wind tower data was used in the analysis. Hourly and directional climatologies by tower and month were developed to determine the seasonal behavior of the average and peak winds. Probability density functions (PDF) of peak wind speed were calculated to determine the distribution of peak speed with average speed. These provide forecasters with a means of determining the probability of meeting or exceeding a certain peak wind given an observed or forecast average speed. A PC-based Graphical User Interface (GUI) tool was created to display the data quickly.
Lambert, Winifred C.↗
A Classification Scheme for Young Stellar Objects Using the WIDE-FIELD INFRARED SURVEY EXPLORER ALLWISE Catalog: Revealing Low-Density Star Formation in the Outer Galaxy
We present an assessment of the performance of WISE and the AllWISE data release in a section of the Galactic Plane. We lay out an approach to increasing the reliability of point source photometry extracted from the AllWISE catalog in Galactic Plane regions using parameters provided in the catalog. We use the resulting catalog to construct a new, revised young star detection and classification scheme combining WISE and 2MASS near and mid-infrared colors and magnitudes and test it in a section of the Outer Milky Way. The clustering properties of the candidate Class I and II stars using a nearest neighbor density calculation and the two-point correlation function suggest that the majority of stars do form in massive star forming regions, and any isolated mode of star formation is at most a small fraction of the total star forming output of the Galaxy. We also show that the isolated component may be very small and could represent the tail end of a single mechanism of star formation in line with models of molecular cloud collapse with supersonic turbulence and not a separate mode all to itself.
WIDE-FIELD↗
Comet Tails of Type 2
A summary is presented of a theory for the head and tail regions of Type 2 (dust) comets, wherein dust particles having a wide distribution of sizes are assumed to be released from the comet nucleus in an essentially continuous manner in time during the period of distinctive cometary phenomena. The dust particles are assumed to be accelerated radially outward from the nucleus as a result of a drag interaction with the expanding gas in the comet head. In the tail region the only significant forces assumed to act on the dust particles are solar gravity and the force of solar radiation pressure. It is shown how results describing the surface density in the tail are obtained and how by matching calculated distributions with measured ones it is possible to determine the dust and head-gas emission rates as a function of time, the distribution of dust particle sizes, and the emission velocity from the inner head region as a function of particle size and time. The results of matching calculated density distributions with light intensity measurements from Comet Arend-Roland 1956h are summarized.
Probstein, R. F.↗
Temperatures and thermophysical properties of the lunar outermost layer
Comparisons of calculated diurnal and eclipse temperatures of the lunar outermost layer are made with earth-based infrared and millimeter data. The thermophysical model upon which the calculations are based incorporates variable physical properties. The thermal conductivity is a function of both density (depth) and temperature; the specific heat is a function of temperature; the density is a function of depth; and the dielectric constant and loss tangent are functions of density (depth). Laboratory measurements and Apollo-sample results are incorporated in the property data. Calculational cases are based largely upon different density profiles. The model is consistent with the data, and the comparisons of theoretical and observational temperatures are very favorable. For such comparisons, further sophistication of the thermophysical model of the outermost layer is probably not justified.
Jones, W. P.↗
Dislocation dynamics of web type silicon ribbon
Silicon ribbon grown by the dendritic web process passes through a rapidly changing thermal profile in the growth direction. This rapidly changing profile induces stresses which produce changes in the dislocation density in the ribbon. A viscoplastic material response function (Haasen-Sumino model) is used herein to calculate the stresses and the dislocation density at each point in the silicon ribbon. The residual stresses are also calculated.
Dillon, O. W., Jr.↗
Forbidden-line excitation data for certain coronal lines
Some new data pertinent to forbidden transitions for coronal lines of S XII, Ca XIII, K XI, Mn XIII, Fe XIV, Co XV, Ni XVI, N XV, Cr IX, Fe X, and Ni XII are presented. We include additional calculations of collision strengths for a number of ions and then set up and solve the equations of statistical equilibrium in the limiting approximations in which contributions to level population by cascade from higher levels are neglected. We then calculate volume emissivities per ion as a function of density and temperature.
Czyzak, S. J.↗
Data analysis and noise prediction for the QF-1B experimental fan stage
The results of a fan noise data analysis and prediction effort using experimental data obtained from tests on the QF-1B research fan are described. Surface pressure measurements were made with flush mounted sensors installed on selected rotor blades and stator vanes and noise measurements were made by microphones located at the far field. Power spectral density analysis, time history studies, and calculation of coherence functions were made. The emphasis of these studies was on the characteristics of tones in the spectra. The amplitude behavior of spectral tones was found to have a large, often predominant, random component, suggesting that turbulent processes play an important role in the generation of tonal as well as broadband noise. Inputs from the data analysis were used in a prediction method which assumes that acoustic dipoles, produced by unsteady blade and van forces, are the important source of fan noise.
Bliss, D. B.↗
The reflection of impulses from a nonlinear random sea
A model of the reflection of radar impulses from the sea at near-vertical incidence is used to account for non-Gaussian ocean waves statistics. The joint probability density function (pdf), of wave height and slope, is calculated according to the theory of Longuet-Higgins (1963) on the distribution of variables in a 'weakly nonlinear' random era. The long-crested approximation is made, a Phillips wave spectrum is assumed, and the Gram-Charlier series is truncated after skewness terms. It is found that the height and height-slope skewness coefficients bear the ratio 1:2 and that the derived impulse response and conditional cross section versus wave height are in excellent agreement with previous observations. Finally, it is suggested that the empirically determined and theoretically predicted sea state bias be corrected for in the routine processing of satellite radar altimeter data.
Jackson, F. C.↗
The 1983 tail-era series. Volume 1: ISEE 3 plasma
Observations from the ISEE 3 electron analyzer are presented in plots. Electrons were measured in 15 continuous energy levels between 8.5 and 1140 eV during individual 3-sec spacecraft spins. Times associated with each data point are the beginning time of the 3 sec data collection interval. Moments calculated from the measured distribution function are shown as density, temperature, velocity, and velocity azimuthal angle. Spacecraft ephemeris is shown at the bottom in GSE and GSM coordinates in units of Earth radii, with vertical ticks on the time axis corresponding to the printed positions.
Fairfield, D. H.↗