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At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Contamination Measurements During Ius Thermal Vacuum Tests in A Large Space Chamber

The levels of contamination that originate from inside the IUS equipment support section (ESS) due to outgassing from electronics components and wiring operating at elevated temperatures (80-160 F) were investigated. Pressure was measured inside and outside the ESS. Mass deposition measurements were made with quartz crystal microbalances (QCM) facing into and away from ESS vents. The OCM's were operated at -50 C and -180 C using thermoelectrically and cryogenically cooled QCM's. Gaseous nitrogen flow inside the ESS was used to obtain the effective molecular flow vent area of the ESS, which was evaluated to be 359 sq cm (56 sq in) compared to the 978 sq cm (150 sq in) estimated by an earlier atmosphere pressure billowing test. The total outgassing rate of the ESS materials at a temperature of 60 C (140 F) decays with a time constant of 11.5 hours based on pressure measurements during the hot cycle. A time constant of 22 hours was estimated for the fraction of the outgassing which will condense on a -50 C surface. In contrast, the time constant is only 10.1 hours for the outgassing material which condenses on a surface at -180 C. A surface at -180 C collects approximately one half of the material vented from the ESS which impinges on it. Pressure measurements show very good correlation with the mass deposition measurements.

C R Mullen↗
NASA NTRS1999

Absolute Rovibrational Intensities for the Chi(sup 1)Sigma(sup +) v=3 <-- 0 Band of (12)C(16)O Obtained with Kitt Peak and BOMEM FTS Instruments

This work was initiated to compare absolute line intensities retrieved with the Kitt Peak FTS (Fourier Transform Spectrometer) and Ames BOMEM FTS. Since thermal contaminations can be a problem using the BOMEM instrument if proper precautions are not taken it was thought that measurements done at 6300 per cm would more easily result in satisfactory intercomparisons. Very recent measurements of the CO 3 <-- 0 band fine intensities confirms results reported here that the intensities listed in HITRAN (High Resolution Molecular Absorption Database) for this band are on the order of six to seven percent too low. All of the infrared intensities in the current HITRAN tabulation are based on the electric dipole moment function reported fifteen years ago. The latter in turn was partly based on intensities for the 3 <-- 0 band reported thirty years ago. We have, therefore, redetermined the electric dipole moment function of ground electronic state CO.

Chackerian, Charles, Jr.↗
NASA NTRS2004

Glycine Ablation during Comet/Meteoroid Impact

Amino acids and other organic compounds important to the chemistry of life are thought to have been delivered to early Earth by asteroids and comets. The survivability of such compounds upon high speed entry is not well understood. If molecular processing occurs during entry, the nature of the new molecules produced by such processing is also an open question. To address this question, we have initiated a study of the ablation of glycine, the simplest amino acid, upon the high speed entry of a comet or meteoroid into an atmosphere. The study assumes glycine is distributed on the surface of the comet/meteoroid. The high speed impact creates electrons, ions, and radicals in the atmosphere that react with the surface and either desorb glycine or break it up. The ablation process is studied as a function of entry speed and atmospheric composition. The AURORA code from the commercially available software package CHEMKIN is used in the study.

Huo, Winifred M.↗
NASA NTRS1999

Quantitation of Radiation Induced Deletion and Recombination Events Associated with Repeated DNA Sequences

Manned exploration of space exposes the explorers to a complex and novel radiation environment. The galactic cosmic ray and trapped belt radiation (predominantly proton) components of this environment are relatively constant, and the variations with the solar cycle are well understood and predictable. The level of radiation encountered in low earth orbits is determined by several factors, including altitude, inclination of orbit with respect to the equator, and spacecraft shielding. At higher altitudes, and on a Mars mission, the level of radiation exposure will increase significantly. A significant fraction of the dose may be delivered by solar particle events which vary dramatically in dose rate and incident particle spectrum. High-LET radiation is of particular concern. High-LET radiation, a component of galactic cosmic rays (GCR), is comprised of a variety of charged particles of various energies (10 MeV/n to 10 GeV/n), including about 87% photons, 12% helium ions, and heavy ions (including iron). These high energy particles can cause significant damage to target cells. The different particle types and energies result in different patterns of energy deposition at the molecular and cellular level in a primary target cell. They can also cause significant damage to other, nearby cells as a result of secondary particles. Protons, for instance produce secondaries that include photons, neutrons, pions, heavy particles, as well as gamma rays. Heavy ions deposit energy in a "track" in which the magnitude of the damage varies as the particle loses energy. Heavy ions produce secondary delta rays, or electrons. The distribution of damage through tissue is described by a Bragg curve which will be characteristic for different energies. Needless to say there are differences in the RBE of protons and a particles. High-LET heavy ions are particularly damaging to cells as they do continual damage throughout their track. Differences in these energy deposition patterns can significantly influence the nature of DNA damage and the ability of cellular systems to repair such damage. It has been suspected that these differences also affect the spatial distribution of damage within the DNA of the interphase cell nucleus and produce corresponding differences in endpoints related to health effects. The interaction of a single high-LET particle with chromatin has been suggested to cause multiple double strand breaks within a relatively short distance. In part this is due to the organization of DNA into chromatin fibers in which distant regions of the DNA helix can be physically juxtaposed by the various levels of coiling of the DNA. This prediction was confirmed by the detection of the generation of double strand DNA fragments of 100-2000 bp following exposure to high-LET ions (including iron).

Sinden, Richard R.↗
NASA NTRS1999

Crystal Growth Using MEPHISTO

The shuttle flight experiment "In Situ Monitoring of Crystal Growth Using MEPHISTO" was accomplished during STS-87 as part of the fourth flight of the United States Microgravity Payload (USMP-4), which was flown from November 19 to December 5, 1997. The data returned from that flight are just now beginning to yield quantitative results. This project is an international collaboration: the furnace system known as MEPHISTO was built in France by CNES (French National Space Agency) and CEA (French Atomic Energy Commission); the principal investigator, Prof. Reza Abbaschian, is from the University of Florida at Gainesville; and numerical and analytical modeling support includes collaborators from the University of New South Wales, Australia, the University of Wisconsin at Milwaukee, the National Institute of Standards and Technology, and the NASA Lewis Research Center. MEPHISTO is a French acronym that translates into English as Materials for the Study of Interesting Phenomena of Solidification on Earth and in Orbit. Since this was the fourth flight of the MEPHISTO furnace, the experiment is referred to as MEPHISTO-4. MEPHISTO-4 was a directional solidification experiment that studied the liquid-to-solid transformation of bismuth alloyed with tin. Directional solidification is a freezing technique common to the processing of the electronic materials used in integrated circuits and detectors, such as silicon and germanium. When liquids are frozen on Earth, they must be cooled. The cooling causes stirring because of density variations in the liquid. This stirring, known as natural convection, influences the quality of the resulting solid. During freezing, regions of high and low concentrations of tin are created. This introduces another important phenomenon: diffusion, or the movement by molecular action of matter from regions of high concentration to regions of lower concentration. In MEPHISTO-4, it is tin that diffuses from the high-concentration region in front of the solid-liquid interface to more distant low-concentration regions.

deGroh, Henry C., III↗
NASA NTRS2005

The Future of Bio-technology

Hosts of technologies, most notably in electronics, have been on the path of miniaturization for decades and in 2005 they have crossed the threshold of the nano-scale. Crossing the nano-scale threshold is a milestone in miniaturization, setting impressive new standards for component-packing densities. It also brings technology to a scale at which quantum effects and fault tolerance play significant roles and approaches the feasible physical limit form many conventional "top-down" manufacturing methods. I will suggest that the most formidable manufacturing problems in nanotechnology will be overcome and major breakthroughs will occur in a host of technologies, when nanotechnology converges with bio-technology; i.e. I will argue that the future of bio-technology is in nanotechnology. In 2005, methods in molecular biology, microscopy, bioinformatics, biochemistry, and genetic engineering have focused considerable attention on the nano-scale. On this scale, biology is a kind of recursive chemistry in which molecular recognition, self-assembly, self-organization and self-referencing context-control lead to the emergence of the complexity of structures and processes that are fundamental to all life forms. While we are still far from understanding this complexity, we are on the threshold of being able to use at least some of these biological properties for .technology. I will discuss the use of biomolecules, such as DNA, RNA, and proteins as "tools" for the bio-technologist of the future. More specifically, I will present in some detail an example of how we are using a genetically engineered 60-kDa protein (HSP60) from an organism living in near boiling sulfuric acid to build nano-scale templates for arranging metallic nanoparticles. These "extremophile" HSP60s self-assemble into robust double-ring structures called "chaperonins," which further assemble into filaments and arrays with nanometer accuracy. I will discuss our efforts to use chaperonins to organize quantum dots, electronic and magnetic nano-particles for electronic and photonic applications.

Trent, Jonathan↗
NASA NTRS1972

Mass spectrometry.

Review of the current state of mass spectrometry, indicating its unique importance for advanced scientific research. Mass spectrometry applications in computer techniques, gas chromatography, ion cyclotron resonance, molecular fragmentation and ionization, and isotope labeling are covered. Details are given on mass spectrometry applications in bio-organic chemistry and biomedical research. As the subjects of these applications are indicated alkaloids, carbohydrates, lipids, terpenes, quinones, nucleic acid components, peptides, antibiotics, and human and animal metabolisms. Particular attention is given to the mass spectra of organo-inorganic compounds, inorganic mass spectrometry, surface phenomena such as secondary ion and electron emission, and elemental and isotope analysis. Further topics include mass spectrometry in organic geochemistry, applications in geochronology and cosmochemistry, and organic mass spectrometry.

Burlingame, A. L.↗
NASA NTRS1979

Ortho and parahydrogen in interstellar material

The ortho/para molecular hydrogen ratio in the interstellar medium is considered. It is shown that the ortho/para ratio will be 3:1 in practically all chemical reactions, even at relatively low temperatures. Two examples of exothermic processes that will result in the formation of a 3:1 ortho:para ratio, corresponding to a high-temperature equilibrium, are examined: H2 formation via three-body or surface recombination and catalytic recombination involving electrons and H(-) ions. Gas-phase scrambling ion reactions are also discussed, and it is suggested that virtually all the H2 equilibrated via scrambling reactions involving H(+) and H3(+) ions should exist as parahydrogen in the J ? 0 quantum state. Arguments are given that deuterium cannot interfere with the long scrambling chain that results in parahydrogen formation.

Reeves, R. R.↗
NASA NTRS1994

Coupled-Cluster Theory Employing Approximate Integrals: An Approach to Avoid the Input/Output and Storage Bottlenecks

By representing orbital products in an expansion basis, certain classes of two-electron integrals are approximated for use in CCSD(T) calculations (singles and doubles coupled-cluster plus a perturbational estimate of the effects of connected triple excitations). This leads to a very large reduction in disk storage and input/output requirements, with usually only a modest increase in computational effort. The new procedure will allow very large CCSD(T) calculations to be undertaken, limited only by available processor time. Using the molecular basis as the expansion basis, explicit numerical comparisons of equilibrium geometries, harmonic frequencies, and energy differences indicate that the error due to the use of approximate integrals is less than the error associated with truncation of the molecular basis set.

Rendell, Alistair P.↗
NASA NTRS1999

Linear Scaling Density Functional Calculations with Gaussian Orbitals

Recent advances in linear scaling algorithms that circumvent the computational bottlenecks of large-scale electronic structure simulations make it possible to carry out density functional calculations with Gaussian orbitals on molecules containing more than 1000 atoms and 15000 basis functions using current workstations and personal computers. This paper discusses the recent theoretical developments that have led to these advances and demonstrates in a series of benchmark calculations the present capabilities of state-of-the-art computational quantum chemistry programs for the prediction of molecular structure and properties.

Scuseria, Gustavo E.↗
NASA NTRS2002

Synthesis and Characterization of the First Liquid Single Source Precursors for the Deposition of Ternary Chalcopyrite (CuInS2) Thin Film Materials

Molecular engineering of ternary single source precursors based on the [{PBu3}2Cu(SR')2In(SR')2] architecture have afforded the first liquid CIS ternary single source precursors (when R = Et, n-Pr), which are suitable for low temperature deposition (< 350 C). Thermogravimetric analyses (TGA) and modulated-differential scanning calorimetry (DSC) confirm their liquid phase and reduced stability. X-ray diffraction studies, energy dispersive analyzer (EDS), and scanning electron microscopy (SEM) support the formation of the single-phase chalcopyrite CuInS2 at low temperatures.

Banger, Kulbinder K.↗
NASA NTRS2003

Purification process for vertically aligned carbon nanofibers

Individual, free-standing, vertically aligned multiwall carbon nanotubes or nanofibers are ideal for sensor and electrode applications. Our plasma-enhanced chemical vapor deposition techniques for producing free-standing and vertically aligned carbon nanofibers use catalyst particles at the tip of the fiber. Here we present a simple purification process for the removal of iron catalyst particles at the tip of vertically aligned carbon nanofibers derived by plasma-enhanced chemical vapor deposition. The first step involves thermal oxidation in air, at temperatures of 200-400 degrees C, resulting in the physical swelling of the iron particles from the formation of iron oxide. Subsequently, the complete removal of the iron oxide particles is achieved with diluted acid (12% HCl). The purification process appears to be very efficient at removing all of the iron catalyst particles. Electron microscopy images and Raman spectroscopy data indicate that the purification process does not damage the graphitic structure of the nanotubes.

Nanotechnology/methods↗
NASA NTRS1976

Studies of molecular nitrogen bands from airborne auroral spectroscopy

Absolute auroral emission rates of several bands of the 1 PG (first positive), 2 PG, and Vegard-Kaplan systems of N2 and of the 1 NG (first negative) system of N2(+) were obtained from simultaneous spectral scans of two Ebert spectrophotometers mounted on board the NASA CV 990 aircraft. Analysis of these bands emitted during a 2-min auroral event leads to some conclusions regarding the excitation mechanisms of the C(3)Pi, B(3)Pi, and A(3)Sigma levels: the v' = 0 to v' = 3 levels of the C(3)Pi electronic state are populated by electron impact; the cross sections predict absolute emission rates that are in good agreement with the observations. Cross sections for excitation of the v' = 4 to v' = 8 levels, derived from laboratory measurement of the optical excitation functions, predict well the 1 PG bands observed in the auroral event.

Rees, M. H.↗
NASA NTRS1994

A Doubles Correction to Electronic Excited States from Configuration Interaction in the Space of Single Substitutions

A perturbative correction to the method of configuration interaction with single substitutions (CIS) is presented. This CIS(D) correction approximately introduces the effect of double substitutions which are absent in CIS excited states. CIS(D) is a second-order perturbation expansion of the coupled-cluster excited state method, restricted to single and double substitutions, in a series in which CIS is zeroth order, and the first-order correction vanishes. CIS (D) excitation energies are size consistent and the calculational complexity scales with the fifth power of molecular size, akin to second-order Moller-Plesset theory for the ground state. Calculations on singlet excited states of ethylene, formaldehyde, acetaldehyde, butadiene and benzene show that CIS (D) is a uniform improvement over CIS. CIS(D) appears to be a promising method for examining excited states of large molecules, where more accurate methods are not feasible.

Head-Gordon, Martin↗
NASA NTRS1987

Experimental Resonance Enhanced Multiphoton Ionization (REMPI) studies of small molecules

Resonance enhanced multiphoton ionization (REMPI) utilizes tunable dye lasers to ionize an atom or molecule by first preparing an excited state by multiphoton absorption and then ionizing that state before it can decay. This process is highly selective with respect to both the initial and resonant intermediate states of the target, and it can be extremely sensitive. In addition, the products of the REMPI process can be detected as needed by analyzing the resulting electrons, ions, fluorescence, or by additional REMPI. This points to a number of exciting opportunities for both basic and applied science. On the applied side, REMPI has great potential as an ultrasensitive, highly selective detector for trace, reactive, or transient species. On the basic side, REMPI affords an unprecedented means of exploring excited state physics and chemistry at the quantum-state-specific level. An overview of current studies of excited molecular states is given to illustrate the principles and prospects of REMPI.

Dehmer, J. L.↗
NASA NTRS1990

Quantum Well Infrared Photodetectors (QWIP)

There has been a lot of interest in III-V long wavelength detectors in the lambda = 8 to 12 micron spectral range as alternatives to HgCdTe. Recently high performance quantum well infrared photodetectors (QWIP) have been demonstrated. They have a responsivity of R = 1.2 A/W, and a detectivity D(exp asterisk) sub lambda = 2 times 10(exp 10) cm Hz(exp 1/2)/W at 68 K for a QWIP with a cutoff wavelength of lambda sub c = 10.7 micron and a R = 1.0 A/W, and D(exp asterisk) sub lambda = 2 times 10(exp 10) cm Hz(exp 1/2)/W at T = 77 K for lambda sub c = 8.4 micron. These detectors consist of 50 periods of molecular beam epitaxy (MBE) grown layers doped n = 1 times 10(exp 18)cm(exp -3) having GaAs quantum well widths of 40 A and barrier widths of 500 A of Al sub x Ga sub 1-x As. Due to the well-established GaAs growth and processing techniques, these detectors have the potential for large, highly uniform, low cost, high performance arrays as well as monolithic integration with GaAs electronics, high speed and radiation hardness. Latest results on the transport physics, device performance and arrays are discussed.

Levine, B. F.↗
NASA NTRS1993

Comprehensive investigation of HgCdTe metalorganic chemical vapor deposition

The principal objective of this experimental and theoretical research program was to explore the possibility of depositing high quality epitaxial CdTe and HgCdTe at very low pressures through metalorganic chemical vapor deposition (MOCVD). We explored two important aspects of this potential process: (1) the interaction of molecular flow transport and deposition in an MOCVD reactor with a commercial configuration, and (2) the kinetics of metal alkyl source gas adsorption, decomposition and desorption from the growing film surface using ultra high vacuum surface science reaction techniques. To explore the transport-reaction issue, we have developed a reaction engineering analysis of a multiple wafer-in-tube ultrahigh vacuum chemical vapor deposition (UHV/CVD) reactor which allows an estimate of wafer or substrate throughput for a reactor of fixed geometry and a given deposition chemistry with specified film thickness uniformity constraints. The model employs a description of ballistic transport and reaction based on the pseudo-steady approximation to the Boltzmann equation in the limit of pure molecular flow. The model representation takes the form of an integral equation for the flux of each reactant or intermediate species to the wafer surfaces. Expressions for the reactive sticking coefficients (RSC) for each species must be incorporated in the term which represents reemission from a wafer surface. The interactions of MOCVD precursors with Si and CdTe were investigated using temperature programmed desorption (TPD) in ultra high vacuum combined with Auger electron spectroscopy (AES). These studies revealed that diethyltellurium (DETe) and dimethylcadmium (DMCd) adsorb weakly on clean Si(100) and desorb upon heating without decomposing. These precursors adsorb both weakly and strongly on CdTe(111)A, with DMCd exhibiting the stronger interaction with the surface than DETe.

Raupp, Gregory B.↗
NASA NTRS1990

Growth and properties of Hg-based quantum well structures and superlattices

An overview of the properties of HgTe-CdTe quantum well structures and superlattices (SL) is presented. These new quantum structures are candidates for use as new long wavelength infrared (LWIR) and very long wavelength infrared (VLWIR) detectors, as well as for other optoelectronic applications. Much has been learned within the past two years about the physics of such structures. The valence band offset has been determined to be approx. 350 meV, independent of temperature. The occurrence of electron and hole mobilities in excess of 10(exp 5)cm(exp 2)/V center dot s is now understood on the basis of SL band structure calculations. The in-plane and out-of-plane electron and hole effective masses have been measured and interpreted theoretically for HgTe-CdTe superlattices. Controlled substitutional doping of superlattices has recently been achieved at North Carolina State University (NCSU), and modulation-doped SLs have now been successfully grown and studied. Most recently, a dramatic lowering of the growth temperature of Hg-based quantum well structure and SLs (to approx. 100 C) has been achieved by means of photoassisted molecular beam epitaxy (MBE) at NCSU. A number of new devices have been fabricated from these doped multilayers.

Schetzina, J. F.↗