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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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

The molecular hydrogen emission around L1551 IRS 5 - Shock-heated molecular gas at the base of the molecular outflow

Spatially resolved observations of the v = 1-0 S(1) molecular hydrogen emission toward L1551 IRS 5 using the grating spectrometer at KPNO are presented. The S(1) emission consists of a ridge component extending toward west along the optical jet from its peak on IRS 5 and a diffuse component which traces the innermost region of the cavity enclosed by the molecular outflow. The ridge component represents shock-heated molecular gas at the root of the optical jet. The diffuse component is too bright to be of scattered origin; it most likely arises from shock-heated gas within the cavity and could represent an acceleration process of the molecular outflow.

Yamashita, Takuya↗
NASA NTRS2000

Molecular View of Protein Crystal Growth: Molecular Interactions, Surface Reconstruction and Growth Mechanism

Studies of the growth and molecular packing of tetragonal lysozyme crystals suggest that there is an underlying molecular growth mechanism, in addition to the classical one involving screw dislocation/2D) nucleation growth. These crystals are constructed by strongly bonded molecular chains forming helices about the 43 axes. The helices are connected to each other by weaker bonds. Crystal growth proceeds by the formation of these 4(sub 3) helices, which would explain some unexpected observations by earlier investigators, such as bimolecular growth steps on the (110) face. Another consequence of these molecular considerations is that only one of two possible packing arrangements could occur on the crystal faces and that their growth unit was at least a tetramer corresponding to the 4(sub 3) helix. Two new high resolution atomic force microscopy (AFM) techniques were developed to directly confirm these predictions on tetragonal lysozyme crystals. Most earlier investigations of protein crystal growth with AFM were in the low resolution mode which is adequate to investigate the classical growth mechanisms, but cannot resolve molecular features and mechanisms. Employing the first of the newly developed techniques, high resolution AFM images of the (110) face were compared with the theoretically constructed images for the two possible packing arrangements on this face. The prediction that the molecular packing arrangement of these faces corresponded to that for complete 4(sub 3) helices was confirmed in this manner. This investigation also showed the occurrence of surface reconstruction on protein crystals. The molecules on the surface of the (110) face were found to pack closer along the 4(sub 3) axes than those in the interior. The second new AFM technique was used to follow the growth process by measuring the dimensions of individual growth units on the (110) face. Linescans across a growth step, performed near the saturation limit of the crystals, allowed the growth unit dimensions to be measured as they were being incorporated into the crystal. These measurements showed that growth on the (110) face proceeded by the formation of new 4(sub 3) helices from the addition of many growth units of at least tetramer size. This is the first time that a time-resolved AFM technique has been used to observe individual molecular events during crystal growth.

Nadarajah, Arunan↗
NASA NTRS1976

Molecular contamination study by interaction of a molecular beam with a platinum surface

The capability of molecular beam scattering from a solid surface is analyzed for identification of molecular contamination of the surface. The design and setup of the molecular beam source and the measuring setup for the application of a phase sensitive measuring technique for the determination of the scattered beam intensity are described. The scattering distributions of helium and nitrogen molecular beams interacting with a platinum surface were measured for different amounts of contamination from diffusion pump oil for surface temperatures ranging from 30 to 400 C. The results indicate the scattering of molecular beams from a platinum surface is a very sensitive method for detecting surface contamination.

Nuss, H. E.↗
NASA NTRS1977

The energetics of molecular clouds. I - Methods of analysis and application to the S255 molecular cloud

Observations of the S255 molecular cloud in the radio lines of CO, (C-13)O, and H2O as well as in the IR region from 12 to 20 microns are presented. These results show that an extended molecular cloud is associated with the optically visible H II regions S255 - S257, both the kinetic temperature and molecular density are enhanced in an area centered on a compact near-IR source, this source is also coincident with an OH and an H2O maser (within the errors), and the IR source exhibits the silicon absorption feature. First-order techniques which allow physical properties of molecular clouds to be estimated and the energetics of the gas and dust in the clouds to be analyzed are developed and applied to S255. It is concluded that: (1) the gas cooling rate is much less than the dust cooling rate; (2) the primary energy flow is in the IR through dust emission over a range of temperatures; (3) the near-IR source is apparently responsible for the local peak in gas kinetic temperature; and (4) the exciting stars of nearby H II regions appear to be the primary heat sources for the overall molecular cloud.

Evans, N. J., II↗
NASA NTRS1980

Giant molecular complexes and OB associations. I - The Rosette molecular complex

CO observations of the Rosette molecular complex associated with Mon OB2 are presented. The complex is extended along the galactic plane, has a maximum extent of about 100 pc, and shows a striking interaction with the Rosette Nebula. The molecular gas appears to be embedded in a H I cloud with a mass comparable to the molecular mass. The molecular mass is estimated to be 130,000 solar masses, and the inferred volume density is about 30 per cu cm. The complex has an overall velocity gradient of 0.20 km/s pc. At high resolution the CO appears to be very clumpy.

Blitz, L.↗
NASA NTRS1981

The energetics of molecular clouds. IV - The S88 molecular cloud

The S88 molecular cloud has been observed in several molecular lines and at infrared wavelengths from 1 to 100 microns. The CO emission has a single, sharp peak which is near the H-alpha emission region S88 B and centered on a compact H II region observed in the radio continuum. The infrared observations indicate that the principal luminosity source is located near the radio continuum peak and is hidden behind substantial extinction, presumably from the molecular cloud. The molecular cloud has a size of about 6.5 pc and a mass of about 5,000 solar masses at an assumed distance of 2 kpc. Regions of very high density (more than 10,000/cu cm) do not seem to be present. Analysis of the energetics leads to a predicted dust cooling rate in good agreement with the infrared observations, which indicate L = 180,000 solar luminosities. A more detailed examination of the energetics indicates that densities may be insufficient for collisions of molecules with warm dust grains to heat the gas to the observed kinetic temperature.

Evans, N. J., II↗
NASA NTRS1986

Submillimetre molecular line observations of M17: The interaction of an ionisation front and molecular clouds

An area of about 9 by 10 arc minutes in the M17 molecular cloud has been mapped in the J=3-2 transition of CO. The strongest CO emission is observed to come from the two bars to the north and southwest, which lie just outside the area of ionized gas seen in the radio continuum studies. We are viewing the boundary between the ionized and molecular gas almost edge on. The most intense CO emission is from the area around the dense molecular cloud core M17SW in the southwest bar. To the east of M17SW there are signs of recent or continuing star formation including H2O masers and an ultra-compact HII region. The CO J=3-2 spectra observed are complex with considerable variation in line shapes occuring over distances of less than one arc minute. We interpret the velocity structure of this region as arising from an ensemble of molecular cloud fragments in addition to extended emission. We have identified several cloud components at different velocities within both the northern and southwest bars of CO emission. A simple kinematic model of the cloud components in the southwest bar in which they are considered to be clumps of post-shock gas lying close to the edge of the expanding HII region, with the shock being driven by Kleinmann's star, gives a velocity of approx. 10.8 km s(-1) for the expansion velocity of the HII region, which is currently at a distance of approx. 2.4 pc from Kleinmann's star. The resulting shock is thought to be preceding the ionisation front and appears to have led to the fragmentation of the original cloud.

Rainey, R.↗
NASA NTRS1989

Determinations of molecular weight and molecular weight distribution of high polymers by the rheological properties

Several methods are reviewed by which the molecular weight (MW) and the molecular weight distribution (MWD) of polymeric material were determined from the rheological properties. A poly(arylene ether) polymer with six different molecular weights was used in this investigation. Experimentally measured MW and MWD were conducted by GPC/LALLS (gel permeation chromatography/low angle laser light scattering), and the rheological properties of the melts were measured by a Rheometric System Four rheometer. It was found that qualitative information of the MW and MWD of these polymers could be derived from the viscoelastic properties, with the methods proposed by Zeichner and Patel, and by Dormier et al., by shifting the master curves of the dynamic storage modulus, G', and the loss modulus, G'', along the frequency axis. Efforts were also made to calculate quantitative profiles of MW and MWD for these polymers from their rheological properties. The technique recently proposed by Wu was evaluated. It was found that satisfactory results could only be obtained for polymers with single modal distribution in the molecular weight.

Huang, J. Y.↗
NASA NTRS1991

Molecular hydrogen emission in L1448 associated with a highly collimated molecular outflow

A near-infrared camera was used to search for jets around low-luminosity embedded infrared sources in nearby molecular clouds. The near-infrared offers the advantage that the extinction is very low compared with the optical. A jet is detected in molecular hydrogen at 2.12 microns toward a source in L1448. Given the sample size this indicates a detection rate of no more than a couple percent. The average visual extinction in L1448 is roughly 5 mag. The properties of the molecular hydrogen emission are similar to those measured for known Herbig-Haro objects, suggesting the jet is a buried Herbig-Haro object/jet that would be visible in the optical if the extinction were lower. The L1448 jet coincides with the unusual CO outflow that is highly collimated and contains high-velocity CO 'bullets'. The properties of the L1448 source suggest it defines a transition case between molecular outflows and Herbig-Haro jets, combining the characteristics of both.

Terebey, Susan↗
NASA NTRS1991

Molecular implementation of molecular shift register memories

An electronic shift register memory (20) at the molecular level is described. The memory elements are based on a chain of electron transfer molecules (22) and the information is shifted by photoinduced (26) electron transfer reactions. Thus, multi-step sequences of charge transfer reactions are used to move charge with high efficiency down a molecular chain. The device integrates compositions of the invention onto a VLSI substrate (36), providing an example of a molecular electronic device which may be fabricated. Three energy level schemes, molecular implementation of these schemes, optical excitation strategies, charge amplification strategies, and error correction strategies are described.

Beratan, David N.↗
NASA NTRS2017

Dissociation and Internal Excitation of Molecular Nitrogen Due to N + N2 Collisions Using Direct Molecular Simulation

In this work we present a molecular level study of N2+N collisions, focusing on excitation of internal energy modes and non-equilibrium dissociation. The computation technique used here is the direct molecular simulation (DMS) method and the molecular interactions have been modeled using an ab−initio potential energy surface (PES) developed at NASA's Ames Research Center. We carried out vibrational excitation calculations between 5000K and 30000K and found that the characteristic vibrational excitation time for the N + N2 process was an order of magnitude lower than that predicted by the Millikan and White correlation. It is observed that during vibrational excitation the high energy tail of the vibrational energy distribution gets over populated first and the lower energy levels get populated as the system evolves. It is found that the non-equilibrium dissociation rate coefficients for the N + N2 process are larger than those for the N2 + N2 process. This is attributed to the non-equilibrium vibrational energy distributions for the N + N2 process being less depleted than that for the N2 +N2 process. For an isothermal simulation we find that the probability of dissociation goes as 1/T(sub tr) for molecules with internal energy (epsilon(sub int)) less than approximately 9.9eV, while for molecules with epsilon (sub int) greater than 9.9eV the dissociation probability was weakly dependent on translational temperature of the system. We compared non-equilibrium dissociation rate coefficients and characteristic vibrational excitation times obtained by using the ab-initio PES developed at NASA's Ames Research Center to those obtained by using an ab-initio PES developed at the University of Minnesota. Good agreement was found between the macroscopic properties and molecular level description of the system obtained by using the two PESs.

Grover, Maninder S.↗
NASA NTRS1978

The energetics of molecular clouds. II - The S140 molecular cloud

Techniques of analysis which allow estimates of kinetic temperature, gas density, gas cooling rate, and dust cooling rate are applied to the S140 molecular cloud. Maps of this cloud in various molecular lines are examined which reveal the existence of a strong temperature and density peak near the H-alpha rim and the presence of a strong near-IR source very near that peak. This source is found to have an energy distribution which is very similar to that of the Becklin-Neugebauer object, including the silicate feature at 9.5 microns. The heating and cooling rates for the gas and dust in S140 are estimated, and the predicted cooling rate for dust is shown to be much greater than that for gas. The molecular-line observations are compared with a spherical large-velocity-gradient trapping calculation. An optimum cloud model is developed which indicates that: (1) (C-13)O, HCO(+), and H2CO are about 10 times less abundant in S140 than in dark clouds; (2) the HCN abundance is approximately 4 times the H2CO abundance in S140, compared with roughly equal values in dark clouds; and (3) the (C-13)O/C(O-18) ratio is consistent with terrestrial isotope ratios.

Blair, G. N.↗
NASA NTRS1981

The energetics of molecular clouds. III - The S235 molecular cloud

The molecular cloud associated with the S235 H II region has been studied by means of molecular lines and near-infrared observations. The cloud consists of two components, one of which partly surrounds the S235 H II region. The other component contains a dense, hot region of active star formation, marked by self-reversed CO profiles, compact H II regions, masers, and infrared sources. From the molecular line data, the size and mass of the two components are estimated to be 6-8 pc and 3000-4000 solar masses. More detailed studies near the region of active star formation yield estimates of density (approximately 200,000-500,000/cu cm) and the abundances of H2CO, HCO(+), HCN, and (C-13)O. Analysis of the energetics suggests that the cloud is heated by the exciting star of S235 and by the exciting stars of the compact H II regions. Assuming that the gas is heated by collisions with warm dust grains, the far-infrared luminosity has been predicted. The observations of far-infrared emission are in reasonable agreement with predictions.

Evans, N. J., II↗
NASA NTRS1985

Understanding the high pressure properties of molecular solids and molecular surfaces deposited on hetrogeneous substrates

Work directed toward understanding the high pressure properties of molecular solids and molecular surfaces deposited on hetrogeneous substrates is reported. The motivation, apart from expanding our basic knowledge about these systems, was to understand and predict the properties of new materials synthesized at high pressure, including pressure induced metallic and superconducting states. As a consequence, information about the states of matter of the Jovian planets and their satellites, which are natural high pressure laboratories was also provided. The work on molecular surfaces and finite two and three dimensional clusters of atoms and molecules was connected with the composition and behavior of planetary atmospheres and on the processes involved in forming surface layers, which is vital to the development of composite materials and microcircuitry.

Etters, R. D.↗
NASA NTRS1986

A non-mass-dependent oxygen isotope effect in the production of ozone from molecular oxygen - The role of molecular symmetry in isotope chemistry

It was previously reported that the reaction products from the synthesis of ozone in an electric discharge through molecular oxygen display a nonmass-dependent (NoMaDic) oxygen isotope effect. In this paper, a detailed characterization of the isotope effect, including the effect of molecular oxygen pressure, and the presence of a chemically inert third body (helium), is reported. The NoMaDic effect is due to an isotopically selective stabilization of the O3 formation reaction intermediate, possibly resulting from the ability of the different isotopomers to exhibit different molecular symmetries.

Heidenreich, J. E., III↗
NASA NTRS1990

A spectacular molecular outflow in the Monoceros OB1 molecular cloud

Detailed observations of CO, CS, IR continuum, and H2 emission from a large, highly collimated, bipolar outflow in the Monoceros OB1 molecular cloud are presented. The CO observations suggest that molecular gas in the outflow is contained in a shell with higher velocity material situated interior to lower velocity material. The velocities of outflow emission are found to increase with increasing distance from the center of the outflow. Additional detections include shock-excited molecular hydrogen emission from the blueshifted lobe of the outflow and six 2-micron sources in the direction of the outflow. Near-IR and IRAS observations suggest that the driving source for the outflow must have a bolometric luminosity below about 4.5 solar luminosities. It is concluded that the flow is probably not driven by stellar radiation from a central source.

Margulis, Michael↗
NASA NTRS1990

High spectral resolution observations of fluorescent molecular hydrogen in molecular clouds

The 1-0 S(1) line of molecular hydrogen has been observed at high spectral resolution in several sources where the emission was suspected of being fluorescent. In NGC 2023, the Orion Bar, and Parsamyan 18, the S(1) line is unresolved, and the line center close to the rest velocity of the ambient molecular cloud. Such behavior is expected for UV-excited line emission. The H2 line widths in molecular clouds thus can serve as diagnostic for shocked and UV-excitation mechanisms. If the lines are broader than several km/s or velocity shifts are observed across a source it is likely that shocks are responsible for the excitation of the gas.

Burton, Michael G.↗
NASA NTRS1992

Warm neutral halos around molecular clouds. IV - H I and continuum: Aperture synthesis observations towards the molecular cloud B5

We present aperture synthesis observations of H I (21 cm) line radiation and continuum emission at 408 and 1420 MHz towards a field centered on the molecular cloud B5. The H I emission shows an extended atomic halo around the molecular cloud. The opacity of the halo is derived using H I absorption toward several background sources and a simple source model is presented. The model indicates that the halo is not gravitationally bound to the molecular cloud and that it is in fact expanding away from it. Approximately 350 solar masses are contained in the H I halo. Flux densities and spectral indices for the sources detected in both of the continuum bands are given.

Andersson, B.-G.↗