Integrated research and training in space- molecular biology Annual progress report, 1 Jan. - 31 Dec. 1967
Electron microscopic studies for exobiological application
Fernandez-Moran, H.↗
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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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Franck-Condon factors for band systems of molecular hydrogen. III.
Franck-Condon factors for band systems of molecular hydrogen, computing wave functions for each electronic state by numerical solutions of radial Schroedinger equation
Spindler, R. J., Jr.↗
Morphology of polysiloxanes crystallized from the melt
Polysiloxanes morphology crystallized isothermally from melt using electron microscopy, noting fracture ease increment with molecular weight decrease
Haller, M. N.↗
Molecular vibration spectra from field-emission energy distributions
Molecular vibration spectra from inelastic interaction between electrons and absorbed molecules at metal-vacuum interface
Flood, D. J.↗
Fast chemistry in ion wakes
A common aspect of the models of such processes as track formation and induced desorption of molecular ions is the requirement that the electronic excitation have a sufficiently long lifetime (of the order of picoseconds) so that energy can be transferred to atomic motion. Attention is called to several phenomena recently observed indicating that atomic motion/chemical rearrangement can occur even when the electronic excitation is shorter lived (of the order of femtoseconds). Two such processes, which are also induced by MeV ion bombardment, are track damage in heavily doped compound semiconductors and greatly enhanced adhesion of metal films to metallic and semiconducting substrates. Since neither of these effects can easily be accommodated within the existing theoretical models, it is thought possible that an even richer variety of ion-induced effects will be discovered.
Tombrello, T. A.↗
Low defect densities in molecular beam epitaxial GaAs achieved by isoelectronic In doping
A study has been made of the effects of adding small amounts of In (0.2-1.2 pct) to GaAs grown by molecular beam epitaxy. The density of four electron traps decreases in concentration by an order of magnitude, and the peak intensities of prominent emissions in the excitonic spectra are reduced with increase in In content. Based on the higher surface migration rate of In, compared to Ga, at the growth temperatures it is apparent that the traps and the excitonic transitions are related to point defects. This agrees with earlier observations by Briones and Collins (1982) and Skromme et al. (1985).
Bhattacharya, P. K.↗
Influence of gap states on the nonresonant second hyperpolarizabilities of conjugated organic polymers
The presence of conjugation and substitution defects introduces gap states in finite polyenes that are shown to influence the size and sign of the second molecular hyperpolarizability (SMH). Using a one-electron tight-binding model, the dependence of SMH on the defect-state occupancy and energy in finite polyenes is calculated. Defects can cause a significant decrease or enhancement of SMH by impeding charge delocalization or by creating partly filled bands (mimicking the one-band limit), respectively. Concomitant sign changes in SMH are predicted. Calculation results suggest strategies for designing molecules that can be either photochemically or electrochemically switched between states with considerably different SMHs.
Beratan, David N.↗
An extensive ab initio study of the structures, vibrational spectra, quadratic force fields, and relative energetics of three isomers of Cl2O2
Quantum mechanical computational methods are employed for an ab initio investigation of: (1) the molecular properties of the lowest isomers of the ClO dimer; and (2) predicted molecular and thermochemical properties. Techniques employed include electron correlation and particularly singles and doubles coupled-cluster (CCSD) theory with or without perturbational estimates of the effects of connected triple excitations. The isomers ClOClO and ClClO2 are found to have higher energies than the ClOOCl isomer, and the theoretical vibrational frequencies of the isomers are well correlated with experimental data. Experimental values of the heat of formation for the isomers are also compared with calculations based on an isodesmic reaction with Cl2O, H2O, and HOOH.
Lee, Timothy J.↗
A Remarkable Auroral Event on Jupiter Observed in the Ultraviolet with the Hubble Space Telescope
Two sets of ultraviolet images of the Jovian north aurora were obtained with the Faint Object Camera on board the Hubble Space Telescope. The first series shows an intense discrete arc in near corotation with the planet. The maximum apparent molecular hydrogen emission rate corresponds to an electron precipitation of approximately 1 watt per square meter, which is about 30,000 times larger than the solar heating by extreme ultraviolet radiation. Such a particle heating rate of the auroral upper atmosphere of Jupiter should cause a large transient temperature increase and generate strong thermospheric winds. Twenty hours after initial observations, the discrete arc had decreased in brightness by more than one order of magnitude. The time scale and magnitude of the change in the ultraviolet aurora leads us to suggest that the discrete Jovian auroral precipitation is related to large-scale variations in the current system as is the case of for Earth's discrete aurorae.
Gerard, J. C.↗
Nano-Plasticity of Single-Wall Carbon Nanotubes Under Uniaxial Compression
Nano-plasticity of thin single-wall carbon nanotubes under uniaxial compression is investigated through generalized tight-binding molecular dynamics (GTBMD) and ab-initio electronic structure methods. A novel mechanism of nano-plasticity of carbon nanotubes under uniaxial compression is observed in which bonding geometry collapses from a graphitic (sp(sup 2)) to a localized diamond like (sp(sup 3)) reconstruction. The computed critical stress (approximately equals 153 G Pa) and the shape of the resulting plastic deformation is in good agreement with recent experimental observation of collapse and fracture of compressed carbon nanotubes in polymer composites.
Srivastava, Deepak↗
High Resolution UV Emission Cross Section for Analysis of Satellite Observations of Aurora and Dayglow of Planetary Atmosphere
A new generation of high resolution UV imaging spacecraft (Polar, Galileo, HST) are studying the airglow and aurora of the Earth and the Jovian planets. To keep pace with these technological improvements we have developed a laboratory program to provide electron collision cross sections of the major molecular planetary gases (H (sub 2) , H, O, N (sub 2) , CO (sub 2) , SO (sub 2) , O (sub 2) , H (sub 2) O, and CO).
Polar Galileo airglow aurora Earth Jovian planets.↗
Absolute Inelastic Differential Electron Scattering Cross Sections for He, Xe, N2, and CO at Near Threshold Impact Energies for 90(deg) Scattering Angle
There is a great deal of need for accurate differential cross sections (DCSs) associated with electron impact excitation of various atomic and molecular species. These cross sections are needed for modeling of various plasma systems (ranging from lasers and material processing plasmas to planetary and astrophysical plasmas) and for guiding development of theoretical and computational schemes.
DCS beam scattering beam-beam scattering↗
Interaction Between the Broad-Lined Type Ic Supernova 2012ap and Carriers of Diffuse Interstellar Bands
The diffuse interstellar bands (DIBs) are absorption features observed in optical and near-infrared spectra that are thought to be associated with carbon-rich polyatomic molecules in interstellar gas. However, because the central wavelengths of these bands do not correspond with electronic transitions of any known atomic or molecular species, their nature has remained uncertain since their discovery almost a century ago. Here we report on unusually strong DIBs in optical spectra of the broad- lined Type Ic supernova SN2012ap that exhibit changes in equivalent width over short (. 30 days) timescales. The 4428 A and 6283 A DIB features get weaker with time, whereas the 5780 A feature shows a marginal increase. These nonuniform changes suggest that the supernova is interacting with a nearby source of the DIBs and that the DIB carriers possess high ionization potentials, such as small cations or charged fullerenes. We conclude that moderate-resolution spectra of supernovae with DIB absorptions obtained within weeks of outburst could reveal unique information about the mass-loss environment of their progenitor systems and provide new constraints on the properties of DIB carriers.
broad↗
Kinetic ejection of electrons from solids.
Electron secondary emission from interaction of ion, atom and molecular energetic beams with solids, especially when kinetic energy is significant
SOLIDS↗
Calculation of a mirror asymmetric effect in electron scattering from chiral targets
A dynamical calculation is presented of the helicity induced in an initially unpolarized electron beam after elastic scattering from an optically active medium, a process analogous to the circular polarization induced in unpolarized light following Rayleigh scattering from chiral targets. The calculation is based on the bound helical electron model of a chiral molecule, according to which the major contribution to the helicity is provided by the perturbation of the electron bound state by the spin-orbit interaction of the bound electrons moving in the electric field of the molecular core. The net helicity acquired is found to depend directly on a molecular asymmetry factor and the square of the atomic number of the heaviest atom in an asymmetric environment. For the case of carbon, the induced helicity is on the order of 0.00001, which would account for its lack of observation in a recent experiment. Results may have implications for the origin of optical activity in biological molecules by the differential ionization of D and L isomers by beta-decay electrons.
Rich, A.↗
The Structural Properties of Vapor Deposited Water Ice and Astrophysical Implications
Films of vapor deposited water ice at low temperature (T<30 K) show a number of interesting structural changes during a gradual warmup. We would like to talk about the structure of the low temperature high density amorphous form of water ice, the process of crystallization, and some recent work on the morphological changes of water ice films at high temperature. The studies of the high density amorphous form are from in-situ electron microscopy as well as numerical simulations of molecular dynamics and have lead to new insights into the physical distinction between this high density amorphous form and the low density amorphous form. For the process of crystallization, we propose a model that describes the crystallization of water ice from the amorphous phase to cubic ice in terms of the nucleation of small domains in the ice. This model agrees well with the behavior of water ice in our electron microscopy studies and finds that pure water above the glass transition is a strong liquid. In more recent work, we have concentrated on temperatures above the crystallization temperature and we find interesting morphological changes related to the decrease in viscosity of the amorphous component in the cubic crystalline regime. Given enough time, we would like to put these results in an astrophysical context and discuss some observed features of the frost on interstellar grains and the bulk ice in comets.
Jenniskens, P.↗
The calculation of radial dose from heavy ions: predictions of biological action cross sections
The track structure model of heavy ion cross sections was developed by Katz and co-workers in the 1960s. In this model the action cross section is evaluated by mapping the dose-response of a detector to gamma rays (modeled from biological target theory) onto the radial dose distribution from delta rays about the path of the ion. This is taken to yield the radial distribution of probability for a "hit" (an interaction leading to an observable end-point). Radial integration of the probability yields the cross section. When different response from ions of different Z having the same stopping power is observed this model may be indicated. Since the 1960s there have been several developments in the computation of the radial dose distribution, in the measurement of these distributions, and in new radiobiological data against which to test the model. The earliest model, by Butts and Katz made use of simplified delta ray distribution functions, of simplified electron range-energy relations, and neglected angular distributions. Nevertheless it made possible the calculation of cross sections for the inactivation of enzymes and viruses, and allowed extension to tracks in nuclear emulsions and other detectors and to biological cells. It set the pattern for models of observable effects in the matter through which the ion passed. Here we outline subsequent calculations of radial dose which make use of improved knowledge of the electron emission spectrum, the electron range-energy relation, the angular distribution, and some considerations of molecular excitation, of particular interest both close to the path of the ion and the outer limits of electron penetration. These are applied to the modeling of action cross sections for the inactivation of several strains of E-coli and B. subtilis spores where extensive measurements in the "thin-down" region have been made with heavy ion beams. Such calculations serve to test the radial dose calculations at the outer limit of electron penetration. We lack data from which to test these calculations in regions close to the path of the ion aside from our earliest work on latent tracks in plastics, though it appears that the criterion then suggested for the threshold of track formation, of a minimal dose at a minimal distance (of about 20 angstroms, in plastics), remains valid.
NASA Discipline Radiation Health↗
Ion implantation of solar cell junctions without mass analysis
This paper is a summary of an investigation to determine the feasibility of producing solar cells by means of ion implantation without the use of mass analysis. Ion implants were performed using molecular and atomic phosphorus produced by the vaporization of solid red phosphorus and ionized in an electron bombardment source. Solar cell junctions were ion implanted by mass analysis of individual molecular species and by direct unanalyzed implants from the ion source. The implant dose ranged from 10 to the 14th to 10 to the 16th atoms/sq cm and the energy per implanted atom ranged from 5 KeV to 40 KeV in this study.
Fitzgerald, D.↗