Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “molecular electronics”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

Interest in optical devices which can operate in the visible spectrum has motivated research interest in the II-VI wide band gap semiconductor materials. The recent challenge for semiconductor opto-electronics is the development of a laser which can operate at short visible wavelengths. In the past several years, major advances in thin film technology such as molecular beam epitaxy and metal organic chemical vapor deposition have demonstrated the applicability of II-VI materials to important devices such as light-emitting diodes, lasers, and ultraviolet detectors. With an energy gap of 2.7 eV at room temperature, and an efficient band- to-band transition, ZnSe has been studied extensively as the primary candidate for a blue light emitting diode for optical displays, high density recording, and military communications. By employing a ternary or quaternary system, the energy band gap of II-VI materials can be tuned to a specific range. While issues related to the compositional inhomogeneity and defect incorporation are still to be fully resolved, ZnSe bulk crystals and ZnSe-based heterostructures such as ZnSe/ZnSeS, ZnSe/ZnCdSe and ZnCdSe/ZnSeS have showed photopumped lasing capability in the blue-green region at a low threshold power and high temperatures. The demonstration of its optical bistable properties in bulk and thin film forms also make ZnSe a possible candidate material for the building blocks of a digital optical computer. Despite this, developments in the crystal growth of bulk H-VI semiconductor materials has not advanced far enough to provide the low price, high quality substrates needed for the thin film growth technology.

Su, Ching-Hua↗
NASA NTRS2011

Radiolytic Cryovolcanism Revisited

Location of Enceladus within the inner magnetosphere of Saturn makes it likely that energetic electron irradiation, ion-neutral chemistry of the emergent cryovolcanic plume gas, and resultant radiolytic modification of surface ice composition could impact long-term evolution of molecular composition in the global ice crust. Thermally-driven convection of ice in the south polar terrain would bring radiolytic oxidant products into contact with subsurface reservoirs of primordial organics on million-year time scales. The chemical reactions leading to CO2 gas production as a primary gas-piston driver of cryovolcanic activity would be exponentially elevated in the warm-ice margins of a heated fluid. The fluid temperature is typically assumed to be below 273 K but could be much higher in a gas-pressurized deep subsurface environment. The Perrier Ocean model has demonstrated how a CO2-loaded fluid could account for the observed jets, while the heat content of the fluid arising from the moon's deeper interior could support high levels of chemical reactivity in the thermal margins. Since mass loss and tidal dissipation arguments do not support continuous activity over billions of years, the activity is likely very episodic so that even low-level energy sources including irradiation-driven radiolysis of surface ices could substantially contribute to the chemical dynamics of the activity apparently now in high phase. A multi-phase thermochemical model, and supporting laboratory measurements of temperature-dependent reaction rates, are needed to investigate these potentially complex processes.

Cooper, John F.↗
NASA NTRS2017

Fabrication of Lightweight Radiation Shielding Composite Materials by Field Assisted Sintering Technique (FAST)

Advances in radiation shielding technologies are needed to protect humans and electronic components from all threats of space radiation over long durations. In this paper, we report on the use of the innovative and novel fabrication technology known as Field Assisted Sintering Technology (FAST) to fabricate lightweight material with enhanced radiation shielding strength to safeguard humans and electronics suitable for next generation space exploration missions. The base materials we investigated were aluminum (Al), the current standard material for space hardware, and Ultra-High Molecular Weight Polyethylene (UHMWPE), which has high hydrogen content and resistance to nuclear reaction from neutrons, making it a good shielding material for both gamma radiation and particles. UHMWPE also has high resistance to corrosive chemicals, extremely low moisture sensitivity, very low coefficient of friction, and high resistance to abrasion. We reinforced the base materials by adding high density (ie, high atomic weight) metallic material into the composite. These filler materials included: boron carbide (B4C), tungsten (W), tungsten carbide (WC) and gadolinium (Gd).

Prasad, Narasimha↗
NASA NTRS1994

Electronic spectroscopy of diatomic molecules

This article provides an overview of the principal computational approaches and their accuracy for the study of electronic spectroscopy of diatomic molecules. We include a number of examples from our work that illustrate the range of application. We show how full configuration interaction benchmark calculations were instrumental in improving the understanding of the computational requirements for obtaining accurate results for diatomic spectroscopy. With this understanding it is now possible to compute radiative lifetimes accurate to within 10% for systems involving first- and second-row atoms. We consider the determination of the infrared vibrational transition probabilities for the ground states of SiO and NO, based on a globally accurate dipole moment function. We show how we were able to assign the a(sup "5)II state of CO as the upper state in the recently observed emission bands of CO in an Ar matrix. We next discuss the assignment of the photoelectron detachment spectra of NO and the alkali oxide negative ions. We then present several examples illustrating the state-of-the-art in determining radiative lifetimes for valence-valence and valence-Rydberg transitions. We next compare the molecular spectroscopy of the valence isoelectronic B2, Al2, and AlB molecules. The final examples consider systems involving transition metal atoms, which illustrate the difficulty in describing states with different numbers of d electrons.

Partridge, Harry↗
NASA NTRS2006

Expanding the Capabilities of the JPL Electronic Nose for an International Space Station Technology Demonstration

An array-based sensing system based on polymer/carbon composite conductometric sensors is under development at JPL for use as an environmental monitor in the International Space Station. Sulfur dioxide has been added to the analyte set for this phase of development. Using molecular modeling techniques, the interaction energy between SO2 and polymer functional groups has been calculated, and polymers selected as potential SO2 sensors. Experiment has validated the model and two selected polymers have been shown to be promising materials for SO2 detection.

electronic noses↗
NASA NTRS1978

Auroral excitation of optical emissions of atomic and molecular oxygen

The O I 'green line' (1S-1D) at 5577 A and the O2 (0,0) atmosphere band at 7620 A were measured in a steady IBC II(plus) aurora simultaneously with N2 emissions and the auroral electron flux. An empirical model based on these rocket measurements shows that the principal excitation source of O2(b 1 Sigma g plus) is energy transfer from O(1D), with direct electron impact of O2 contributing less than 5 percent. While the altitude profile of the green line emission resembles that which would be produced by electron impact excitation of O2, a dissociative excitation cross section of 10 to the minus 16th power is required for this interpretation. None of the other known O(1S) excitation mechanisms are thought capable of producing the observed emission rate.

Feldman, P. D.↗
NASA NTRS1996

Infrared Observations of G0.18-0.04

The Galactic Center H(II) region, G0.18-0.04, the 'Sickle', is located where the nonthermal 'Arc' crosses the Galactic plane. The Sickle appears to be the ionized edge of a dense molecular cloud. The source of ionization has been ascribed to both the interaction of the cloud with the magnetic field of the Arc and to the hot stars in the adjacent cluster, AFGL 2004, also known as the 'Quintuplet Cluster'. This paper addresses the relative locations of the stars, the ionized and molecular gas, and the sources of gas excitation and dust heating. Using NASA's Kuiper Airborne Observatory, we have observed the far infrared forbidden lines of [S(III)] 18.7 and 33.5 micrometers, [Si(II)] 34.8 micrometers, [Ne(III)] 36.0 micrometers, [O(III)] 51.8 and 88.4 micrometers, [N(III)] 57.3 micrometers, [O(II)] 63.2 and 146 micrometers, [C(II)] 158 micrometers, and [N(II)] 205 micrometers and the adjacent continua at 11 positions around G0.18-0.04, including G0.15-0.05, the 'Pistol', in a beamsize of 40 - 60 arcsec. The electron density, the ionic abundances, and the ionization structure of the H(II) region are estimated from the doubly ionized line fluxes. The density and radiation field found in the photodissociation region (PDR) between the H(II) region and the molecular cloud are estimated from the [C(II)] and [O(I)] line fluxes and the far-infrared continuum. We compare the ionization structure and the PDR properties to shell models of H(II) regions with varying distances from their exciting stars. The agreement of observations and models indicates that the hot stars of AFGL 2004 are the likely source of ionization of the Sickle. Additional hot stars are necessary to ionize the more outlying positions. However, because of its low ionization and high PDR radiation field, the Pistol cannot be as close to AFGL 2004 as indicated by its close proximity on the sky. Instead, the Pistol is probably ionized by the luminous blue variable candidate, Pistol Source A. We estimated the extinction to the region from the distribution of the J, H, and K' magnitudes of the stars in the field that we measured from the Anglo-Australian telescope and from the IRAS LRS spectrum of AFGL 2004. The extinction is fairly uniform, with no enhancement from the molecular cloud. The strength of Brackett gamma, the 19-micrometer lines and continuum, and the IRAS 25-micrometer continuum are all consistent with the absence of a dense, foreground molecular cloud. We conclude that the H(II) region is on the near side of the dense cloud.

Simpson, Janet P.↗
NASA NTRS1974

Crossed beam study of the reaction O/+/ + N2 yields NO/+/ + N

The kinematics of the reaction O(+)(4 S) + N2 yields NO(+) + N were studied using crossed molecular beams. Product angular and energy distributions were measured for the initial relative translational energy range from 1.5 to 15.8 eV. The products are formed in their ground electronic states. The product distributions are described, with some deviations, by the spectator stripping model. No evidence was found for a persistent complex or for a second mechanism. A scattering chamber study of 0 deg lab was made of the related reactions 15N(+) + 14NO yields 15N14N(+), 15NO(+), 14NO(+). The results obtained are discussed in terms of possible surface hopping effects.

Smith, G. P. K.↗
NASA NTRS1982

Analysis of nitrogen and oxygen far ultraviolet auroral emissions

Far ultraviolet observations of the auroral and airglow provide quantitative diagnostics of atmospheric abundances, energy deposition, and excitation processes because many atmospheric species have resonance transitions in this spectral region. The spectroscopy of an active auroral arc observed above Fort Churchill on March 29, 1978, has been discussed by Feldman and Gentieu (1982). The present investigation attempts to quantify the measurements with the aid of a self-consistent approach used by Meier et al. (1980). It is shown that the primary electron spectrum has a characteristic energy of 1.75-2.5 keV, corresponding to energy deposition rates of 5-8 erg/(sq cm-sec). Atomic nitrogen emissions resulting from molecular dissociative excitation show no evidence of multiple scattering, in contrast to data from other auroras.

Meier, R. R.↗
NASA NTRS1984

Metastability of isoformyl ions in collisions with helium and hydrogen

The stability of HOC(+) ions under conditions in interstellar molecular clouds is considered. In particular, the possibility that collisions with helium or hydrogen will induce isomerization to the stable HCO(+) form is examined theoretically. Portions of the electronic potential energy surfaces for interaction with He and H atoms are obtained from standard quantum mechanical calculations. Collisions with He atoms are found to be totally ineffective for inducing isomerization. Collisions with H atoms are found to be ineffective at low interstellar temperatures owing to a small (about 500 K) barrier in the entrance channel; at higher temperatures where this barrier can be overcome, however, collisions with hydrogen atoms do result in conversion to the stable HCO(+) form. Although detailed calculations are not presented, it is argued that low-energy collisions with H2 molecules are also ineffective in destroying the metastable ion.

Green, S.↗
NASA NTRS1991

Approaches for optimizing the first electronic hyperpolarizability of conjugated organic molecules

Conjugated organic molecules with electron-donating and -accepting moieties can exhibit large electronic second-order nonlinearities, or first hyperpolarizabilities, beta. The present two-state, four-orbital independent-electron analysis of beta leads to the prediction that its absolute value will be maximized at a combination of donor and acceptor strengths for a given conjugated bridge. Molecular design strategies for beta optimization are proposed which give attention to the energetic manipulations of the bridge states. Experimental results have been obtained which support the validity of this approach.

Marder, S. R.↗
NASA NTRS1993

Processible Polyazomethines

Processibility enhanced by incorporating trifluoromethylbenzene units into molecules. Results of two unexpected properties: high solubility in common organic solvents and lack of crystallinity. Properties coupled with ability of this class of polymers to undergo exchange reactions at elevated temperatures allow these materials to moderate their molecular weights during processing, which affects resulting mechanical properties after processing. Fluorinated polyazomethines form amorphous films that have excellent mechanical properties. Used in moisture-free environments as electronic semiconducting films and adhesives, and as matrix resins for advanced structural composites.

Bryant, Robert G.↗
NASA NTRS1995

The Schwinger Variational Method

Variational methods have proven invaluable in theoretical physics and chemistry, both for bound state problems and for the study of collision phenomena. The application of the Schwinger variational (SV) method to e-molecule collisions and molecular photoionization has been reviewed previously. The present chapter discusses the implementation of the SV method as applied to e-molecule collisions. Since this is not a review of cross section data, cross sections are presented only to server as illustrative examples. In the SV method, the correct boundary condition is automatically incorporated through the use of Green's function. Thus SV calculations can employ basis functions with arbitrary boundary conditions. The iterative Schwinger method has been used extensively to study molecular photoionization. For e-molecule collisions, it is used at the static exchange level to study elastic scattering and coupled with the distorted wave approximation to study electronically inelastic scattering.

Huo, Winifred M.↗
NASA NTRS1997

Optical Characterization and 2,525 micron Lasing of Cr(2+):Cd(0.85)Mn(0.15)Te

Transition metal doped solids are of significant current interest for the development of tunable solid-state lasers for the near and mid-infrared (1-4 pm) spectral region. Applications of these lasers include basic research in atomic, molecular, and solid-state physics, optical communication, medicine, and environmental studies of the atmosphere. In transition metal based laser materials, absorption and emission of light arises from electronic transitions between crystal field split energy levels of 3d transition metal ions. The optical spectra generally exhibit broad bands due to the strong interaction between dopant and host (electron-phonon coupling). Broad emission bands offer the prospect of tunable laser activity over a wide wavelength range, e.g. the tuning range of Ti:Sapphire extends from 700-1100 run. The only current transition metal laser operating in the mid-infrared wavelength region (1.8-2.4 micro-m) is CO(2+):MgF2, but its performance is severely limited due to strong nonradiative decay at room temperature. Based on lifetime data, the quantum efficiency is estimated to be less than 3 deg/0 11,21. In general, the probability for non-radiative decay via multi-phonon relaxation increases with decreasing energy gap between ground and excited state. Therefore, efficient transition metal lasers beyond -1.6 micro-m are rare. Recently, tunable laser activity around 2.3 micro-m was observed from Cr doped ZnS and ZnSe. The new lasing center in these materials was identified as Cr(2+) occupying the tetrahedral Zn site. Tetrahedrally coordinated optical centers are rather unusual among transition metal lasers. Their potential usefulness, however, has been demonstrated by the recent development of near infrared laser materials such as Cr:forsterite and Cr:YAG, which are based on tetrahedrally coordinated Cr(4+) ions. According to the Laporte selection rule, electric-dipole transition within the optically active 3d-electron shells are parity forbidden. However, a static acentric electric crystal field or the coupling of asymmetric phonons can force electric-dipole transitions by the admixture of wave functions with opposite parity. Tetrahedral sites lack inversion symmetry which provides the odd-parity field necessary to relax the parity selection rule. Therefore, high absorption and emission cross sections are observed. An enhanced radiative emission rate is also expected to reduce the detrimental effect of non-radiative decay. Motivated by the initial results on Cr doped ZnS and ZnSe, we have started a comprehensive effort to study Cr(2+) doped II-VI semiconductors for solid-state laser applications. In this paper we present the optical properties and the demonstration of mid-infrared lasing from Cr doped Cd(0.85)Mn(0.15)Te.

Davis, V. R.↗
NASA NTRS1994

Characterization of the alpha-gamma and alpha-beta complex: evidence for an in vivo functional role of alpha-crystallin as a molecular chaperone

Previous studies have demonstrated that in vitro, alpha-crystallin can protect other lens proteins against extensive denaturation and aggregation. The mechanism of this protection involves preferential binding of the partially denatured protein to a central region of the native alpha-crystallin complex. To test whether a similar phenomenon might occur in vivo, a high molecular weight aggregate (HMWA) fraction was isolated from the aged bovine lens. Negative staining of this preparation revealed the presence of particles of 13-14 nm diameter, characteristic of alpha-crystallin. Immunolocalization of the same particles using antiserum specific for gamma- and beta-crystallins demonstrated preferential binding of these crystallins to the central region of the alpha-crystallin complex. Together, these results provide evidence that in the intact lens, the alpha-crystallins are functionally important molecular chaperones.

NASA Discipline Developmental Biology↗
NASA NTRS2017

Mass Spectra Deconvolution of Gaseous Mixtures Containing Volatile Organic Compounds

The Spacecraft Atmosphere Monitor (S.A.M.) analyzes all gaseous pollutants in the 1-150Th mass-to-charge range based on their positive-ion mass spectra. Of particular interest is the Trace Gas Analysis (TGA) mode of operation in which S.A.M detects minute amounts of volatile organic compounds (VOC). Pollutant component of the ambient air is sampled on demand in twenty full mass spectra per second. All spectra is accumulated in two-second intervals by an on-board Field Programmable Gate Arrays (FPGA) unit. Mass spectra represents the number of detected fragment ions in a given mass-to-charge ratio channel. Electron impact ionization of neutral molecules results in creation of numerous fragment ions and most of organic compounds will contribute several identical fragments. Despite the presence of these molecular isobars, we developed the deconvolution algorithm capable of identifying target species based on their characteristic fragmentation patterns. We investigate the efficiency of deconvolution algorithm as a function of mass resolution with which mass spectrum is acquired. Higher the mass resolution, better the chances are to distinguish between stereoisomers using their fragmentation propensities, but also results in higher data volumes to be processed by a set of small footprint software stacks hosted by an on-board computer. Finding the balance between deconvolution accuracy and generated data volume under time constrains and limited computing resources is the main topic of this study.

Darrach, M.↗
NASA NTRS2018

Semiclassical Calculations of Stark Broadening Parameters of He I Lines Revisited

Stark broadening parameters for spectral lines of He I lines, calculated using numerically improved semiclassical formalism of Griem are reported and favorably compared with the original results of Griem. The comparison with other sets of data is carried out and results presented also. In addition, new Stark broadening parameters are available now in extended electron temperature range from 2500 K to 80000 K.

Physics↗
NASA NTRS1971

The formation of excited atoms during charge exchange between hydrogen ions and alkali atoms

The charge exchange cross sections for protons and various alkali atoms are calculated using the classical approximation of Gryzinski. It is assumed that the hydrogen atoms resulting from charge exchange exist in all possible excited states. Charge transfer collisions between protons and potassium as well as protons and sodium atoms are studied. The energy range investigated is between 4 and 30 keV. The theoretical calculations of the capture cross section and the cross section for the creation of metastable 2S hydrogen are compared to experimental values. Good quantitative agreement is found for the capture cross section but only qualitative agreement for the metastable cross section. Analysis of the Lyman alpha window in molecular oxygen suggests that measured values of the metastable cross section may be in error. Thick alkali target data are also presented. This allows the determination of the total electron loss cross section. Finally, some work was done with H2(+).

Nieman, R. A.↗