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The detection of interstellar dimethyl ether, in emission from the direction of the Orion Nebula molecular cloud, is reported. The largest molecule detected in space, dimethyl ether has a large collisional cross section and C (sub 2V) symmetry. Hence, it should be useful for future studies of molecular pumping models.
Self-consistent Hartree-Fock-Slater molecular cluster models for the chemisorption of first-row atoms on Ni(100) surfaces are presented. Energy levels and ground-state charge distributions are given for XNi5 clusters with the adatom X = H, C, N, O located in C4V symmetry at a fixed height of 2.0 au above the surface. The variation of properties with height was studied in detail for the case of oxygen. Theoretical results compare rather well with experimental photoelectron and energy-loss data. Local-densities-of-states diagrams are used to clarify the interaction between adsorbate levels and metal conduction bands.
Self-consistent Hartree-Fock-Slater molecular cluster models for the chemisorption of carbon monoxide on a (100) transition metal surface are presented. Energy levels and charge distribution for the CO:Ni5 cluster in C sub 4v symmetry are obtained, and the variation of binding energies with height of the CO molecule above the surface of nickel is studied in detail. Comparison is made with experimental binding energy spectra and with the multiple-scattering results of Batra and Bagus. The redistribution in energy of free-atom valence levels is studied by means of local-densities-of-states diagrams.
Rates for excitation of CO, CS, OCS, and HC3N by collisions with He atoms and H2 molecules are presented. These have been obtained from extensive theoretical calculations using methods of known reliability. In general, rates necessary for modeling interstellar molecular clouds with kinetic temperatures to 100 K have been included. Methods for fitting these rates in more compact form are discussed.
Production of core-excited autoionizing states of neutral Li having configurations of the form 1snln(prime)l(prime) has been observed over the impact-energy range from 10-50 keV. Although the results for production of all such states is remarkably consistent with a quasi-molecular-excitation model proposed by Stolterfoht and Leithaeuser (1976), production of individual lines in the observed spectra exhibits collision-velocity dependencies indicative of considerably more complex processes, including processes which appear to be inherently two-electron in nature. Excitation functions are presented for (1s2s/2/)/2/S, 1s(2s2p/3/P)/2/P, 1s(2s2p/1/P)/2/P, and (1s2p/2/)/2/D core-excited state of Li and for total core excitation.
Langley Research Center efforts to develop a methodology for predicting the effective perceived noise level (EPNL) produced by jet-powered CTOL aircraft to an accuracy of + or - 1.5 dB are summarized with emphasis on the aircraft noise prediction program (ANOPP) which contains a complete set of prediction methods for CTOL aircraft including propulsion system noise sources, aerodynamic or airframe noise sources, forward speed effects, a layered atmospheric model with molecular absorption, ground impedance effects including excess ground attenuation, and a received noise contouring capability. The present state of ANOPP is described and its accuracy and applicability to the preliminary aircraft design process is assessed. Areas are indicated where further theoretical and experimental research on noise prediction are needed. Topics covered include the elements of the noise prediction problem which are incorporated in ANOPP, results of comparisons of ANOPP calculations with measured noise levels, and progress toward treating noise as a design constraint in aircraft system studies.
The Gordon-Kim electron gas model of molecular bonding is used to calculate correction factors for the Bragg rule for molecules of hydrogen and carbon. General rules for molecular mean excitation energies are obtained that agree to about 4% with experimental values.
Spectra of several carbon stars in the two micron region are examined and compared with synthetic spectra from model atmospheres. Molecular hydrogen has been directly observed in carbon stars for the first time through the quadrupole 1-0 S(1) line at 4712.9/cm. It is definitely present in several Mira variables, and is definitely not present in several irregular variables and one Mira variable. A discrepancy between the predicted and observed line depths at different temperatures is shown. Resolution of the discrepancy by change of temperature alone would require an upward revision of the present effective temperature scale by at least 600 K. Several possible resolutions of the dilemma are briefly examined.
The local plasma model is used to study the effects of the chemical and physical state of a medium on its stopping power. The relationship between that model and a more exact quantum treatment of bound systems is elucidated by examining related quantities in both theories for the case of one and two-electron systems. Atomic mean excitation energies and straggling parameters in the local plasma model are compared with the accurate calculations of Inokuti et al. (1975, 1978, 1981). The use of the Gordon-Kim electron gas model of molecular bonding is used to determine the effects of covalent chemical bond shifts on the mean excitation energies for elements of the first two rows. Calculations of mean excitation energies of ionic bonded substances are presented, and the mean excitation energies of metals are discussed.
Gas-phase chemistry in the steady state is reviewed. The chemistries of C and O, and the reactions for the formation of CO, D-bearing, and N-bearing molecules are discussed. Consideration is given to the column density of H3(+) in diffuse clouds, the rate coefficient, abundances of H3(+), and the steady-state models of van Dishoeck and Black (1986). The varying lifetime of H2, from 1000 years at the boundary to 5,000,000 years or more at the center of diffuse clouds, and changes in the H2/H abundance ratio in dense clouds are studied, and the nonequilibrium chemistry that occurs in shock-heated gas is analyzed. The estimation of photo rates and the radiation field; models of molecular formations on grains; and the synthesis of molecules in clouds are examined.
The statistical equilibrium equations that determine the population densities of the energy levels in cometary C2 molecules due to fluorescent excitation are examined in detail. The adopted model and molecular parameters are discussed, and a theoretical estimate is made of the two intercombination transition moments. From the theoretical population densities in the various rotational levels, flux ratios and synthetic emission profiles are calculated as functions of the a 3Pi(u) - X 1Sigma(g)+ and the c 3Sigma(u)+ - X 3Sigma(g)+ intercombination transition moments. The influence of each of these two transitions separately on the vibrational and rotational excitation temperatures is investigated. The observed emission spectra of the (0,0) Swan band in Comet Halley are presented and compared to the synthetic profiles.
The strong far-infrared continuum source associated with the OH maser-ultracompact H II region W3(OH) was observed from the Kuiper Airborne Observatory in order to determine its size at 50 and 100 microns. Maximum entropy deconvolutions of the slit scans made in orthogonal directions across the source show it to be approximately circular with FWHM sizes of 8 arcsec and 13 arcsec at 50 and 100 microns, respectively. For these sizes, W3(OH) is optically thick in the far-infrared. A spherically symmetric, dusty molecular cloud model is developed to fit the data.
Algorithm simulates three-dimensional hypersonic flow of air or another mixture of gases around blunt body. Accounts for nonequilibrium thermochemical effects via two-temperature mathematical model of molecular excitations and equations for finite-rate chemical reactions. These equations fully coupled to fluid dynamical equations.
Deleterious environmental effects on steady-state, intrinsic fatigue crack propagation (FCP) rates (da/dN) in peak aged Al-Li-Cu alloy 2090 are established by electrical potential monitoring of short cracks with programmed constant delta K and K(sub max) loading. The da/dN are equally unaffected by vacuum, purified helium, and oxygen but are accelerated in order of decreasing effectiveness by aqueous 1 percent NaCl with anodic polarization, pure water vapor, moist air, and NaCl with cathodic polarization. While da/dN depends on delta K(sup 4.0) for the inert gases, water vapor and chloride induced multiple power-laws, and a transition growth rate 'plateau'. Environmental effects are strongest at low delta K. Crack tip damage is ascribed to hydrogen embrittlement because of the following: (1) accelerated da/dN due to part-per-million levels of H2O without condensation; (2) impeded molecular flow model predictions of the measured water vapor pressure dependence of da/dN as affected by mean crack opening; (3) the lack of an effect of film-forming O2; (4) the likelihood for crack tip hydrogen production in NaCl, and (5) the environmental and delta K-process zone volume dependencies of the microscopic cracking modes. For NaCl, growth rates decrease with decreasing loading frequency, with the addition of passivating Li2CO3, and upon cathodic polarization. These variables increase crack surface film stability to reduce hydrogen entry efficiency. The hydrogen environmental FCP resistance of 2090 is similar to other 2000 series alloys and is better than 7075.
Deleterious environmental effects on steady-state, intrinsic fatigue crack propagation (FCP) rates (da/dN) in peak aged Al-Li-Cu alloy 2090 are established by electrical potential monitoring of short cracks with programmed constant delta K and K(sub max) loading. The da/dN are equally unaffected by vacuum, purified helium, and oxygen but are accelerated in order of decreasing effectiveness of aqueous 1 percent NaCl with anodic polarization, pure water vapor, moist air, and NaCl with cathodic polarization. While da/dN depends on delta K(sup 4.0) for the inert gases, water vapor and chloride induced multiple power-laws, and a transition growth rate 'plateau'. Environmental effects are strongest at low delta K. Crack tip damage is ascribed to hydrogen embrittlement because of the following: (1) accelerated da/dN due to part-per-million levels of H2O without condensation; (2) impeded molecular flow model predictions of the measured water vapor pressure dependence of da/dN as affected by mean crack opening; (3) the lack of an effect of film-forming O2; (4) the likelihood for crack tip hydrogen production in NaCl; and (5) the environmental and delta K-process zone volume dependencies of the microscopic cracking modes. For NaCl, growth rates decrease with decreasing loading frequency, with the addition of passivating Li2CO3, and upon cathodic polarization. These variables increase crack surface film stability to reduce hydrogen entry efficiency. The hydrogen environmental FCP resistance of 2090 is similar to other 2000 series alloys and is better than 7075.
We have measured the millimeter polarization of IRAS 16293-2422, a low-mass protostar candidate embedded in the east streamer of the Rho Ophiuchi dark cloud. The source has a linear polarization at 1.1 mm of (2.8 +/- 0.5) percent at a position angle of 144 deg +/- 5 deg with a 19 arcsec beam. If this polarization is due to thermal emission from magnetically aligned nonspherical grains in a dust disk around the central (proto)star, then the magnetic field threads across the disk at a position angle of 54 deg +/- 5 deg projected on the sky. This direction is the same as that of the minor axis of the elongated circumstellar gas disk (of scale 1600 AU) and of the direction of one of the quadratic outflows. There is no positive evidence for a twisted magnetic field in the dust disk, which constrains the hydromagnetic models for molecular outflows, at least for this source.
Current Martian equatorial surface temperatures are too warm for water ice to exist at the surface for any appreciable length of time before subliming into the atmosphere. Subsurface temperatures are generally warmer still and, despite the presence of a diffusive barrier of porous regolith material, it has been shown by Smoluchowski, Clifford and Hillel, and Fanale et al. that buried ground ice will also sublime and be lost to the atmosphere in a relatively short time. We investigate the behavior of this subliming subsurface ice and show that it is possible for ice to maintain at a steady-state depth, where sublimation and diffusive loss to the atmosphere is balanced by resupply from beneath by diffusion and recondensation of either a deeper buried ice deposits or ground water. We examine the behavior of equatorial ground ice with a numercial time-marching molecular diffusion model. In our model we allow for diffusion of water vapor through a porous regolith, variations in diffusivity and porosity with ice content, and recondensation of sublimed water vapor. A regolith containing considerable amounts of ice can still be very porous, allowing water vapor to diffuse up from deeper within the ice layer where temperatures are warmer due to the geothermal gradient. This vapor can then recondense nearer to the surface where ice had previously sublimed and been lost to the atmosphere. As a result we find that ice deposits migrate to find a steady-state depth, which represents a balance between diffusive loss to the atmosphere through the overlying porous regolith and diffusive resupply through a porous icy regolith below. This depth depends primarily on the long-term mean surface temperature and the nature of the geothermal gradient, and is independent of the ice-free porosity and the regolith diffusivity. Only the rate of loss of ground ice depends on diffusive properties.
The applicability of the RNA-world and co-evolution hypothesis to the study of the very first stages of the origin of life is discussed. The discussion focuses on the basic differences between the two hypotheses and their implications, with regard to the reconstruction methodology, ribosome emergence, balance between ribozymes and protein enzymes, and their major difficultites. Additional complexities of the two hypotheses, such as membranes and the energy source of the first reactions, are not treated in the present work. A central element in the proposed experimental strategies is the study of the catalytic activites of very small peptides and RNA-like oligomers, according to existing, as well as to yet-to-be-invented scenarios of the two hypothesis under consideration. It is suggested that the novel directed molecular evolution technology, and molecular computational modeling, can be applied to this research. This strategy is assumed to be essential for the suggested goal of future studies of the origin of life, namely, the establishment of a `Primordial Darwinian entity'.