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Sample records for accommodates gas molecules

  1. Simulation of diatomic gas-wall interaction and accommodation coefficients for negative ion sources and accelerators.

    PubMed

    Sartori, E; Brescaccin, L; Serianni, G

    2016-02-01

    Particle-wall interactions determine in different ways the operating conditions of plasma sources, ion accelerators, and beams operating in vacuum. For instance, a contribution to gas heating is given by ion neutralization at walls; beam losses and stray particle production-detrimental for high current negative ion systems such as beam sources for fusion-are caused by collisional processes with residual gas, with the gas density profile that is determined by the scattering of neutral particles at the walls. This paper shows that Molecular Dynamics (MD) studies at the nano-scale can provide accommodation parameters for gas-wall interactions, such as the momentum accommodation coefficient and energy accommodation coefficient: in non-isothermal flows (such as the neutral gas in the accelerator, coming from the plasma source), these affect the gas density gradients and influence efficiency and losses in particular of negative ion accelerators. For ideal surfaces, the computation also provides the angular distribution of scattered particles. Classical MD method has been applied to the case of diatomic hydrogen molecules. Single collision events, against a frozen wall or a fully thermal lattice, have been simulated by using probe molecules. Different modelling approximations are compared. PMID:26931910

  2. Near-Unity Mass Accommodation Coefficient of Organic Molecules of Varying Structure

    PubMed Central

    2014-01-01

    Atmospheric aerosol particles have a significant effect on global climate, air quality, and consequently human health. Condensation of organic vapors is a key process in the growth of nanometer-sized particles to climate relevant sizes. This growth is very sensitive to the mass accommodation coefficient α, a quantity describing the vapor uptake ability of the particles, but knowledge on α of atmospheric organics is lacking. In this work, we have determined α for four organic molecules with diverse structural properties: adipic acid, succinic acid, naphthalene, and nonane. The coefficients are studied using molecular dynamics simulations, complemented with expansion chamber measurements. Our results are consistent with α = 1 (indicating nearly perfect accommodation), regardless of the molecular structural properties, the phase state of the bulk condensed phase, or surface curvature. The results highlight the need for experimental techniques capable of resolving the internal structure of nanoparticles to better constrain the accommodation of atmospheric organics. PMID:25260072

  3. Analytical model for thermal boundary conductance and equilibrium thermal accommodation coefficient at solid/gas interfaces.

    PubMed

    Giri, Ashutosh; Hopkins, Patrick E

    2016-02-28

    We develop an analytical model for the thermal boundary conductance between a solid and a gas. By considering the thermal fluxes in the solid and the gas, we describe the transmission of energy across the solid/gas interface with diffuse mismatch theory. From the predicted thermal boundary conductances across solid/gas interfaces, the equilibrium thermal accommodation coefficient is determined and compared to predictions from molecular dynamics simulations on the model solid-gas systems. We show that our model is applicable for modeling the thermal accommodation of gases on solid surfaces at non-cryogenic temperatures and relatively strong solid-gas interactions (εsf ≳ kBT). PMID:26931716

  4. Gas-surface interactions using accommodation coefficients for a dilute and a dense gas in a micro- or nanochannel: heat flux predictions using combined molecular dynamics and Monte Carlo techniques.

    PubMed

    Nedea, S V; van Steenhoven, A A; Markvoort, A J; Spijker, P; Giordano, D

    2014-05-01

    The influence of gas-surface interactions of a dilute gas confined between two parallel walls on the heat flux predictions is investigated using a combined Monte Carlo (MC) and molecular dynamics (MD) approach. The accommodation coefficients are computed from the temperature of incident and reflected molecules in molecular dynamics and used as effective coefficients in Maxwell-like boundary conditions in Monte Carlo simulations. Hydrophobic and hydrophilic wall interactions are studied, and the effect of the gas-surface interaction potential on the heat flux and other characteristic parameters like density and temperature is shown. The heat flux dependence on the accommodation coefficient is shown for different fluid-wall mass ratios. We find that the accommodation coefficient is increasing considerably when the mass ratio is decreased. An effective map of the heat flux depending on the accommodation coefficient is given and we show that MC heat flux predictions using Maxwell boundary conditions based on the accommodation coefficient give good results when compared to pure molecular dynamics heat predictions. The accommodation coefficients computed for a dilute gas for different gas-wall interaction parameters and mass ratios are transferred to compute the heat flux predictions for a dense gas. Comparison of the heat fluxes derived using explicit MD, MC with Maxwell-like boundary conditions based on the accommodation coefficients, and pure Maxwell boundary conditions are discussed. A map of the heat flux dependence on the accommodation coefficients for a dense gas, and the effective accommodation coefficients for different gas-wall interactions are given. In the end, this approach is applied to study the gas-surface interactions of argon and xenon molecules on a platinum surface. The derived accommodation coefficients are compared with values of experimental results. PMID:25353885

  5. Aggregated Gas Molecules: Toxic to Protein?

    PubMed Central

    Zhang, Meng; Zuo, Guanghong; Chen, Jixiu; Gao, Yi; Fang, Haiping

    2013-01-01

    The biological toxicity of high levels of breathing gases has been known for centuries, but the mechanism remains elusive. Earlier work mainly focused on the influences of dispersed gas molecules dissolved in water on biomolecules. However, recent studies confirmed the existence of aggregated gas molecules at the water-solid interface. In this paper, we have investigated the binding preference of aggregated gas molecules on proteins with molecular dynamics simulations, using nitrogen (N2) gas and the Src-homology 3 (SH3) domain as the model system. Aggregated N2 molecules were strongly bound by the active sites of the SH3 domain, which could impair the activity of the protein. In contrast, dispersed N2 molecules did not specifically interact with the SH3 domain. These observations extend our understanding of the possible toxicity of aggregates of gas molecules in the function of proteins. PMID:23588597

  6. Gas biology: tiny molecules controlling metabolic systems.

    PubMed

    Kajimura, Mayumi; Nakanishi, Tsuyoshi; Takenouchi, Toshiki; Morikawa, Takayuki; Hishiki, Takako; Yukutake, Yoshinori; Suematsu, Makoto

    2012-11-15

    It has been recognized that gaseous molecules and their signaling cascades play a vital role in alterations of metabolic systems in physiologic and pathologic conditions. Contrary to this awareness, detailed mechanisms whereby gases exert their actions, in particular in vivo, have been unclear because of several reasons. Gaseous signaling involves diverse reactions with metal centers of metalloproteins and thiol modification of cysteine residues of proteins. Both the multiplicity of gas targets and the technical limitations in accessing local gas concentrations make dissection of exact actions of any gas mediator a challenge. However, a series of advanced technologies now offer ways to explore gas-responsive regulatory processes in vivo. Imaging mass spectrometry combined with quantitative metabolomics by capillary-electrophoresis/mass spectrometry reveals spatio-temporal profiles of many metabolites. Comparing the metabolic footprinting of murine samples with a targeted deletion of a specific gas-producing enzyme makes it possible to determine sites of actions of the gas. In this review, we intend to elaborate on the ideas how small gaseous molecules interact with metabolic systems to control organ functions such as cerebral vascular tone and energy metabolism in vivo. PMID:22516267

  7. On the thermodynamic stability of clathrate hydrates V: phase behaviors accommodating large guest molecules with new reference states.

    PubMed

    Tanaka, Hideki; Matsumoto, Masakazu

    2011-12-01

    We present a method that brings prediction of phase behaviors of various clathrate hydrates with firm statistical mechanical ground adopting a different reference state from the usual one. Accommodation of a large guest molecule makes the frequencies of the lattice vibrational motions higher, which is one of the breakdowns of the assumptions in the original van der Waals and Platteeuw theory. The frequency modulations are incorporated in the free energy of cage occupation in the present method. Moreover, the reference state, which is originally the corresponding empty clathrate structure, is alternated to a state where cages of at least one sort are fully occupied. This meets the stability condition of clathrate hydrates that most of the cages should be accommodated. Owing to this new reference state, the thermodynamic stability is evaluated with reasonable accuracy from the free energy of cage occupation especially by a large guest molecule without considering its dependence on the cage occupancy. This conversion is also beneficial to establish a relation between the chemical potential of water and the cage occupancy from grandcanonical Monte Carlo simulation. We show a new method indeed works well in predicting the dissociation pressures of clathrate hydrates containing isobutane, propane, ethane, Xe, and CF(4). PMID:21902174

  8. Collision cross section calculations for polyatomic ions considering rotating diatomic/linear gas molecules

    SciTech Connect

    Larriba-Andaluz, Carlos Hogan, Christopher J.

    2014-11-21

    Structural characterization of ions in the gas phase is facilitated by measurement of ion collision cross sections (CCS) using techniques such as ion mobility spectrometry. Further information is gained from CCS measurement when comparison is made between measurements and accurately predicted CCSs for model ion structures and the gas in which measurements are made. While diatomic gases, namely molecular nitrogen and air, are being used in CCS measurement with increasingly prevalency, the majority of studies in which measurements are compared to predictions use models in which gas molecules are spherical or non-rotating, which is not necessarily appropriate for diatomic gases. Here, we adapt a momentum transfer based CCS calculation approach to consider rotating, diatomic gas molecule collisions with polyatomic ions, and compare CCS predictions with a diatomic gas molecule to those made with a spherical gas molecular for model spherical ions, tetra-alkylammonium ions, and multiply charged polyethylene glycol ions. CCS calculations are performed using both specular-elastic and diffuse-inelastic collisions rules, which mimic negligible internal energy exchange and complete thermal accommodation, respectively, between gas molecule and ion. The influence of the long range ion-induced dipole potential on calculations is also examined with both gas molecule models. In large part we find that CCSs calculated with specular-elastic collision rules decrease, while they increase with diffuse-inelastic collision rules when using diatomic gas molecules. Results clearly show the structural model of both the ion and gas molecule, the potential energy field between ion and gas molecule, and finally the modeled degree of kinetic energy exchange between ion and gas molecule internal energy are coupled to one another in CCS calculations, and must be considered carefully to obtain results which agree with measurements.

  9. Collision cross section calculations for polyatomic ions considering rotating diatomic/linear gas molecules.

    PubMed

    Larriba-Andaluz, Carlos; Hogan, Christopher J

    2014-11-21

    Structural characterization of ions in the gas phase is facilitated by measurement of ion collision cross sections (CCS) using techniques such as ion mobility spectrometry. Further information is gained from CCS measurement when comparison is made between measurements and accurately predicted CCSs for model ion structures and the gas in which measurements are made. While diatomic gases, namely molecular nitrogen and air, are being used in CCS measurement with increasingly prevalency, the majority of studies in which measurements are compared to predictions use models in which gas molecules are spherical or non-rotating, which is not necessarily appropriate for diatomic gases. Here, we adapt a momentum transfer based CCS calculation approach to consider rotating, diatomic gas molecule collisions with polyatomic ions, and compare CCS predictions with a diatomic gas molecule to those made with a spherical gas molecular for model spherical ions, tetra-alkylammonium ions, and multiply charged polyethylene glycol ions. CCS calculations are performed using both specular-elastic and diffuse-inelastic collisions rules, which mimic negligible internal energy exchange and complete thermal accommodation, respectively, between gas molecule and ion. The influence of the long range ion-induced dipole potential on calculations is also examined with both gas molecule models. In large part we find that CCSs calculated with specular-elastic collision rules decrease, while they increase with diffuse-inelastic collision rules when using diatomic gas molecules. Results clearly show the structural model of both the ion and gas molecule, the potential energy field between ion and gas molecule, and finally the modeled degree of kinetic energy exchange between ion and gas molecule internal energy are coupled to one another in CCS calculations, and must be considered carefully to obtain results which agree with measurements. PMID:25416874

  10. An extended soft-cube model for the thermal accommodation of gas atoms on solid surfaces

    NASA Technical Reports Server (NTRS)

    Burke, J. R.; Hollenbach, D. J.

    1980-01-01

    A numerical soft cube model was developed for calculating thermal accommodation coefficients alpha and trapping fractions f sub t for the interaction of gases incident upon solid surfaces. A semiempirical correction factor c which allows the calculation of alpha and f sub t when the collision times are long compared to the surface oscillator period were introduced. The processes of trapping, evaporation, and detailed balancing were discussed. The numerical method was designed to treat economically and with moderate (+ or - 20 percent) accuracy the dependence of alpha and f sub t on finite and different surface and gas temperatures for a large number of gas/surface combinations. Comparison was made with experiments of rare gases on tungsten and on alkalis, as well as one astrophysical case of H2 on graphite. The dependence of alpha on the soft cube dimensionless parameters is presented graphically.

  11. Hydrocarbons identified in extracts from estuarine water accommodated no. 2 fuel oil by gas chromatography-mass spectrometry

    NASA Technical Reports Server (NTRS)

    Lewis, B. W.; Walker, A. L.; Bieri, R. H.

    1974-01-01

    Results are presented on a computerized gas chromatograph-mass spectrometer analysis of methylene chloride and n-heptane extracts of a No. 2 fuel oil accommodated estuarine water sample. The analytical method is briefly described, and the limitations on the identifications are categorized. Some attempt was made to determine major and trace constituents in the water accommodate. Altogether 66 hydrocarbon compounds were identified specifically, and 75 compounds were partially identified. Seven compounds could be recognized as major constituents of the water accommodated oil and ten were present only as traces. The aromatic compounds found were alkyl benzenes, naphthalene, tetralin, indane, biphenyl, fluorene, anthracene, and some of their alkyl substituted isomers in the range of carbon numbers C7 to C15. Four n-alkanes, C10 to C13, were found along with four other assorted hydrocarbons.

  12. Accommodative Esotropia

    MedlinePlus

    ... Eye Terms Conditions Frequently Asked Questions Español Condiciones Chinese Conditions Accommodative Esotropia En Español Read in Chinese What is accommodative esotropia? Accommodative esotropia, or refractive ...

  13. Novel Applications of Buffer-gas Cooling to Cold Atoms, Diatomic Molecules, and Large Molecules

    NASA Astrophysics Data System (ADS)

    Drayna, Garrett Korda

    Cold gases of atoms and molecules provide a system for the exploration of a diverse set of physical phenomena. For example, cold gasses of magnetically and electrically polar atoms and molecules are ideal systems for quantum simulation and quantum computation experiments, and cold gasses of large polar molecules allow for novel spectroscopic techniques. Buffer-gas cooling is a robust and widely applicable method for cooling atoms and molecules to temperatures of approximately 1 Kelvin. In this thesis, I present novel applications of buffer-gas cooling to obtaining gases of trapped, ultracold atoms and diatomic molecules, as well as the study of the cooling of large organic molecules. In the first experiment of this thesis, a buffer-gas beam source of atoms is used to directly load a magneto-optical trap. Due to the versatility of the buffer-gas beam source, we obtain trapped, sub-milliKelvin gases of four different lanthanide species using the same experimental apparatus. In the second experiment of this thesis, a buffer-gas beam is used as the initial stage of an experiment to directly laser cool and magneto-optically trap the diatomic molecule CaF. In the third experiment of this thesis, buffer-gas cooling is used to study the cooling of the conformational state of large organic molecules. We directly observe conformational relaxation of gas-phase 1,2-propanediol due to cold collisions with helium gas. Lastly, I present preliminary results on a variety of novel applications of buffer-gas cooling, such as mixture analysis, separation of chiral mixtures, the measurement of parity-violation in chiral molecules, and the cooling and spectroscopy of highly unstable reaction intermediates.

  14. Mass and thermal accommodation during gas-liquid condensation of water.

    PubMed

    Winkler, Paul M; Vrtala, Aron; Wagner, Paul E; Kulmala, Markku; Lehtinen, Kari E J; Vesala, Timo

    2004-08-13

    In this Letter we report, for the first time, direct and simultaneous determinations of mass and thermal accommodation coefficients for water vapor condensation in air, based on the observation of droplet growth kinetics in an expansion cloud chamber. Our experiments exclude values below 0.85 for the thermal and below 0.4 for the mass accommodation coefficients at temperatures ranging from 250 to 290 K. Both coefficients are likely to be 1 for all studied conditions. Previously available experimental data on the mass accommodation coefficient for water span about 3 orders of magnitude. Our results provide new and firm insight to cloud microphysics and consequently to the global radiative balance. PMID:15324249

  15. Tunneling properties of nonplanar molecules in a gas medium

    SciTech Connect

    Bahrami, Mohammad; Bassi, Angelo

    2011-12-15

    We propose a simple, general, and accurate formula for analyzing the tunneling between classical configurations of a nonplanar molecule in a gas medium, as a function of the thermodynamic parameters of the gas. We apply it to two interesting cases: (i) the shift to zero frequency of the inversion line of ammonia, upon an increase in the pressure of the gas; and (ii) the destruction of the coherent tunneling of D{sub 2}S{sub 2} molecules in a He gas. In both cases, we compare our analysis with previous theoretical and experimental results.

  16. Seal accommodating thermal expansion between adjacent casings in gas turbine engine

    NASA Technical Reports Server (NTRS)

    Marra, John J. (Inventor)

    1992-01-01

    A casing around a turbine and a casing around discharge nozzles have a concentrically arranged shell portion. The seal contains internal pressure while accommodating eccentric, expansion and axial travel. Arcuate seal segments have one leg sealing against a radial surface extending from the inner shell and the other leg against the outer shell. A linkage guides travel of the segments.

  17. A quantum gas of polar molecules in an optical lattice

    NASA Astrophysics Data System (ADS)

    Moses, Steven A.

    Ultracold polar molecules, because of their long-range, spatially anisotropic interactions, are a new quantum system in which to study novel many-body phenomena. In our lab, we have produced the first quantum gas of 40K 87Rb polar molecules. These molecules were found to undergo exothermic chemical reactions, and this led to interesting studies of chemistry near absolute zero. By creating the molecules at individual sites of a 3D optical lattice, we completely suppress these chemical reactions, and the polar molecule gas becomes stable and lives for tens of seconds. This thesis documents our efforts to explore coherent, many-body phenomena resulting from long-range dipolar interactions in the lattice. By encoding a spin-1/2 system in the rotational states of the molecules, we were able to realize spin-exchange interactions based on a spin Hamiltonian, which is one of the first steps in studying quantum magnetism with polar molecules. While this study was the first realization of such coherent dipolar interactions with polar molecules in a lattice, its full potential was limited by the low lattice filling fractions. Using our ability to exquisitely control the initial atomic gas mixture, we loaded a Mott insulator of Rb and a band insulator of K into the lattice. This quantum synthesis approach led to significantly higher molecular filling fractions and represents the first fully connected system of polar molecules in an optical lattice. This low-entropy quantum gas of polar molecules opens the door to interesting quantum simulations, which should be attainable in the next generation of the experiment.

  18. Line broadening of confined CO gas: from molecule-wall to molecule-molecule collisions with pressure.

    PubMed

    Hartmann, J-M; Boulet, C; Auwera, J Vander; El Hamzaoui, H; Capoen, B; Bouazaoui, M

    2014-02-14

    The infrared absorption in the fundamental band of CO gas confined in porous silica xerogel has been recorded at room temperature for pressures between about 5 and 920 hPa using a high resolution Fourier transform spectrometer. The widths of individual lines are determined from fits of measured spectra and compared with ab initio predictions obtained from requantized classical molecular dynamics simulations. Good agreement is obtained from the low pressure regime where the line shapes are governed by molecule-wall collisions to high pressures where the influence of molecule-molecule interactions dominates. These results, together with those obtained with a simple analytical model, indicate that both mechanisms contribute in a practically additive way to the observed linewidths. They also confirm that a single collision of a molecule with a wall changes its rotational state. These results are of interest for the determination of some characteristics of the opened porosity of porous materials through optical soundings. PMID:24527910

  19. Ion-Molecule Reactions in Gas Phase Radiation Chemistry.

    ERIC Educational Resources Information Center

    Willis, Clive

    1981-01-01

    Discusses some aspects of the radiation chemistry of gases, focusing on the ion-molecule and charge neutralization reactions which set study of the gas phase apart. Uses three examples that illustrate radiolysis, describing the radiolysis of (1) oxygen, (2) carbon dioxide, and (3) acetylene. (CS)

  20. The prebiotic molecules observed in the interstellar gas

    PubMed Central

    Thaddeus, P

    2006-01-01

    Over 130 molecules have been identified in the interstellar gas and circumstellar shells, the largest among them is a carbon chain with 13 atoms and molecular weight of 147 (twice that of the simplest amino acid glycine). The high reliability of astronomical identifications, as well as the fairly accurate quantitative analysis which can often be achieved, is emphasized. Glycine itself has been claimed, but a recent analysis indicates that few, if any, of the astronomical radio lines attributed to glycine are actually from that molecule. Polycyclic aromatic hydrocarbons (PAHs) have long been proposed as the source of the unidentified infrared bands between 3 and 16 μm, but no single PAH has been identified in space, partly because PAHs generally have weak or non-existent radio spectra. A remarkable exception is the non-planar corannulene molecule (C20H10) that has a strong radio spectrum; in the rich molecular cloud TMC-1, it is found that less than 10−5 of the carbon is contained in this molecule, suggesting that PAHs are not the dominant large molecules in the interstellar gas, as has been claimed. Owing to inherent spectroscopic limitations, determining the structures of the large molecules in space may require capture of the dust grains, which are continually entering the outer Solar System. PMID:17008209

  1. The prebiotic molecules observed in the interstellar gas.

    PubMed

    Thaddeus, P

    2006-10-29

    Over 130 molecules have been identified in the interstellar gas and circumstellar shells, the largest among them is a carbon chain with 13 atoms and molecular weight of 147 (twice that of the simplest amino acid glycine). The high reliability of astronomical identifications, as well as the fairly accurate quantitative analysis which can often be achieved, is emphasized. Glycine itself has been claimed, but a recent analysis indicates that few, if any, of the astronomical radio lines attributed to glycine are actually from that molecule. Polycyclic aromatic hydrocarbons (PAHs) have long been proposed as the source of the unidentified infrared bands between 3 and 16 microm, but no single PAH has been identified in space, partly because PAHs generally have weak or non-existent radio spectra. A remarkable exception is the non-planar corannulene molecule (C20H10) that has a strong radio spectrum; in the rich molecular cloud TMC-1, it is found that less than 10-5 of the carbon is contained in this molecule, suggesting that PAHs are not the dominant large molecules in the interstellar gas, as has been claimed. Owing to inherent spectroscopic limitations, determining the structures of the large molecules in space may require capture of the dust grains, which are continually entering the outer Solar System. PMID:17008209

  2. Determination of the Accommodation Coefficient Using Vapor/gas Bubble Dynamics in an Acoustic Field

    NASA Technical Reports Server (NTRS)

    Gumerov, Nail A.; Hsiao, Chao-Tsung; Goumilevski, Alexei G.; Allen, Jeff (Technical Monitor)

    2001-01-01

    Nonequilibrium liquid/vapor phase transformations can occur in superheated or subcooled liquids in fast processes such as in evaporation in a vacuum. The rate at which such a phase transformation occurs depends on the "condensation" or "accommodation" coefficient, Beta, which is a property of the interface. Existing measurement techniques for Beta are complex and expensive. The development of a relatively inexpensive and reliable technique for measurement of Beta for a wide range of substances and temperatures is of great practical importance. The dynamics of a bubble in an acoustic field strongly depends on the value of Beta. It is known that near the saturation temperature, small vapor bubbles grow under the action of an acoustic field due to "rectified heat transfer." This finding can be used as the basis for an effective measurement technique of Beta. We developed a theory of vapor bubble behavior in an isotropic acoustic wave and in a plane standing acoustic wave. A numerical code was developed which enables simulation of a variety of experimental situations and accurately takes into account slowly evolving temperature. A parametric study showed that the measurement of Beta can be made over a broad range of frequencies and bubble sizes. We found several interesting regimes and conditions which can be efficiently used for measurements of Beta. Measurements of Beta can be performed in both reduced and normal gravity environments.

  3. Charged supramolecular assemblies of surfactant molecules in gas phase.

    PubMed

    Bongiorno, David; Ceraulo, Leopoldo; Indelicato, Sergio; Turco Liveri, Vincenzo; Indelicato, Serena

    2016-01-01

    The aim of this review is to critically analyze recent literature on charged supramolecular assemblies formed by surfactant molecules in gas phase. Apart our specific interest on this research area, the stimuli to undertake the task arise from the widespread theoretical and applicative benefits emerging from a comprehensive view of this topic. In fact, the study of the formation, stability, and physicochemical peculiarities of non-covalent assemblies of surfactant molecules in gas phase allows to unveil interesting aspects such as the role of attractive, repulsive, and steric intermolecular interactions as driving force of supramolecular organization in absence of interactions with surrounding medium and the size and charge state dependence of aggregate structural and dynamical properties. Other interesting aspects worth to be investigated are joined to the ability of these assemblies to incorporate selected solubilizates molecules as well as to give rise to chemical reactions within a single organized structure. In particular, the incorporation of large molecules such as proteins has been of recent interest with the objective to protect their structure and functionality during the transition from solution to gas phase. Exciting fall-out of the study of gas phase surfactant aggregates includes mass and energy transport in the atmosphere, origin of life and simulation of supramolecular aggregation in the interstellar space. Moreover, supramolecular assemblies of amphiphilic molecules in gas phase could find remarkable applications as atmospheric cleaning agents, nanosolvents and nanoreactors for specialized chemical processes in confined space. Mass spectrometry techniques have proven to be particularly suitable to generate these assemblies and to furnish useful information on their size, size polydispersity, stability, and structural organization. On the other hand molecular dynamics simulations have been very useful to rationalize many experimental findings and to

  4. Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus.

    PubMed

    Wu, Yan; Gao, Feng; Liu, Jun; Qi, Jianxun; Gostick, Emma; Price, David A; Gao, George F

    2011-12-15

    The MHC class I molecule Mamu-B*17 has been associated with elite control of SIV infection in rhesus macaques, akin to the protective effects described for HLA-B*57 in HIV-infected individuals. In this study, we determined the crystal structures of Mamu-B*17 in complex with eight different peptides corresponding to immunodominant SIV(mac)239-derived CD8(+) T cell epitopes: HW8 (HLEVQGYW), GW10 (GSHLEVQGYW), MW9 (MHPAQTSQW), QW9 (QTSQWDDPW), FW9 (FQWMGYELW), MF8 (MRHVLEPF), IW9 (IRYPKTFGW), and IW11 (IRYPKTFGWLW). The structures reveal that not only P2, but also P1 and P3, can be used as N-terminal anchor residues by Mamu-B*17-restricted peptides. Moreover, the N-terminal anchor residues exhibit a broad chemical specificity, encompassing basic (H and R), bulky polar aliphatic (Q), and small (T) residues. In contrast, Mamu-B*17 exhibits a very narrow preference for aromatic residues (W and F) at the C terminus, similar to that displayed by HLA-B*57. Flexibility within the whole peptide-binding groove contributes to the accommodation of these diverse peptides, which adopt distinct conformations. Furthermore, the unusually large pocket D enables compensation from other peptide residues if P3 is occupied by an amino acid with a small side chain. In addition, residues located at likely TCR contact regions present highly flexible conformations, which may impact TCR repertoire profiles. These findings provide novel insights into the structural basis of diverse peptide accommodation by Mamu-B*17 and highlight unique atomic features that might contribute to the protective effect of this MHC I molecule in SIV-infected rhesus macaques. PMID:22084443

  5. Sensing gas molecules using graphitic nanoribbon films and networks

    NASA Astrophysics Data System (ADS)

    An, Yanbin; Johnson, Jason L.; Behnam, Ashkan; Pearton, S. J.; Ural, Ant

    2011-03-01

    We fabricate and study the gas sensing properties of graphitic nanoribbon (GNR) films and networks consisting of multi-layer graphene nanoribbons with an average width of 7 nm. We experimentally demonstrate the high sensitivity of these films and networks for sensing gas molecules at the parts-per-million (ppm) level, in particular hydrogen and ammonia. The sensing response exhibits excellent repeatability and full recovery in air. Furthermore, our results show that functionalization by metal nanoparticles could significantly improve the sensitivity. We characterize the sensing response at various temperatures, gas concentrations, recovery ambients, and film thicknesses. We find that the relative resistance response of the GNR films shows a power-law dependence on the gas concentration, which can be explained by the Freundlich isotherm. The activation energy obtained from the sensing experiments is consistent with the theoretical calculations of the adsorption energies of gas molecules on graphene sheets and nanoribbons. Their simple and low-cost fabrication process and good sensing response open up the possibility of using graphitic nanoribbon films and networks for large-scale sensing applications.

  6. Using Coupled Harmonic Oscillators to Model Some Greenhouse Gas Molecules

    SciTech Connect

    Go, Clark Kendrick C.; Maquiling, Joel T.

    2010-07-28

    Common greenhouse gas molecules SF{sub 6}, NO{sub 2}, CH{sub 4}, and CO{sub 2} are modeled as harmonic oscillators whose potential and kinetic energies are derived. Using the Euler-Lagrange equation, their equations of motion are derived and their phase portraits are plotted. The authors use these data to attempt to explain the lifespan of these gases in the atmosphere.

  7. Molecule formation in quasar broad-line cloud gas

    SciTech Connect

    Kallman, T.; Lepp, S.; Giovannoni, P.

    1987-10-01

    Models for the broad-line emitting clouds of quasars typically assume that the clouds have column densities of at most 10 to the 23rd/sq cm. The consequences of relaxing this assumption are examined, and it is shown that: (1) at slightly larger column densities the gas may cool to about 1000 K as a result of molecule formation; (2) in much of the molecule-forming region the temperature may have either of two values, about 1000 K or 6000-8000 K; (3) the strengths of most observable optical lines, including C II semiforbidden 2326-A lines and Fe II lines, are unaffected by such large column densities; and (4) lines from low-ionization species such as Na I are readily formed at large column densities. Observations of such lines provide evidence for large cloud column densities. 47 references.

  8. Optics of a gas of coherently spinning molecules.

    PubMed

    Steinitz, Uri; Prior, Yehiam; Averbukh, Ilya Sh

    2014-01-10

    We consider the optical properties of a gas of molecules that are brought to fast unidirectional spinning by a pulsed laser field. It is shown that a circularly polarized probe light passing through the medium inverts its polarization handedness and experiences a frequency shift controllable by the sense and the rate of molecular rotation. Our analysis is supported by two recent experiments on the laser-induced rotational Doppler effect in molecular gases and provides a good qualitative and quantitative description of the experimental observations. PMID:24483895

  9. Accommodative Behavior of Non-porous Molecular crystal at Solid-Gas and Solid-Liquid Interface

    PubMed Central

    Mande, Hemant M.; Ghalsasi, Prasanna S.

    2015-01-01

    Molecular crystals demonstrate drastically different behavior in solid and liquid state, mainly due to their difference in structural frameworks. Therefore, designing of unique structured molecular compound which can work at both these interfaces has been a challenge. Here, we present remarkable ‘molecular’ property by non-porous molecular solid crystal, dinuclear copper complex (C6H5CH(X)NH2)2CuCl2, to reversibly ‘adsorb’ HCl gas at solid-gas interface as well as ‘accommodate’ azide anion at solid-liquid interface with crystal to crystal transformation. The latter process is driven by molecular recognition, self-assembly, and anchimeric assistance. The observed transformations are feasible due to breathing of inner and outer coordination sphere around metal center resulting in change in metal polyhedra for ‘accommodating’ guest molecule. These transformations cause changes in optical, magnetic, and/or ferroelectric property offering diversity in ‘sensing’ application. With the proposed underlying principles in these exceptional reversible and cyclic transformations, we prepared a series of compounds, can facilitate designing of novel multifunctional molecular materials. PMID:26411980

  10. Method of monitoring photoactive organic molecules in-situ during gas-phase deposition of the photoactive organic molecules

    SciTech Connect

    Forrest, Stephen R.; Vartanian, Garen; Rolin, Cedric

    2015-06-23

    A method for in-situ monitoring of gas-phase photoactive organic molecules in real time while depositing a film of the photoactive organic molecules on a substrate in a processing chamber for depositing the film includes irradiating the gas-phase photoactive organic molecules in the processing chamber with a radiation from a radiation source in-situ while depositing the film of the one or more organic materials and measuring the intensity of the resulting photoluminescence emission from the organic material. One or more processing parameters associated with the deposition process can be determined from the photoluminescence intensity data in real time providing useful feedback on the deposition process.

  11. Adsorption of two gas molecules at a single metal site in a metal-organic framework.

    PubMed

    Runčevski, Tomče; Kapelewski, Matthew T; Torres-Gavosto, Rodolfo M; Tarver, Jacob D; Brown, Craig M; Long, Jeffrey R

    2016-07-01

    One strategy to markedly increase the gas storage capacity of metal-organic frameworks is to introduce coordinatively-unsaturated metal centers capable of binding multiple gas molecules. Herein, we provide an initial demonstration that a single metal site within a framework can support the terminal coordination of two gas molecules-specifically hydrogen, methane, or carbon dioxide. PMID:27284590

  12. Adsorption of two gas molecules at a single metal site in a metal–organic framework

    SciTech Connect

    Runčevski, Tomče; Kapelewski, Matthew T.; Torres-Gavosto, Rodolfo M.; Tarver, Jacob D.; Brown, Craig M.; Long, Jeffrey R.

    2016-01-01

    One strategy to markedly increase the gas storage capacity of metal-organic frameworks is to introduce coordinatively-unsaturated metal centers capable of binding multiple gas molecules. Herein, we provide an initial demonstration that a single metal site within a framework can support the terminal coordination of two gas molecules--specifically hydrogen, methane, or carbon dioxide.

  13. Analysis of the Molecules Structure and Vertical Electron Affinity of Organic Gas Impact on Electric Strength

    NASA Astrophysics Data System (ADS)

    Jiao, Juntao; Xiao, Dengming; Zhao, Xiaoling; Deng, Yunkun

    2016-05-01

    It is necessary to find an efficient selection method to pre-analyze the gas electric strength from the perspective of molecule structure and the properties for finding the alternative gases to sulphur hexafluoride (SF6). As the properties of gas are determined by the gas molecule structure, the research on the relationship between the gas molecule structure and the electric strength can contribute to the gas pre-screening and new gas development. In this paper, we calculated the vertical electron affinity, molecule orbits distribution and orbits energy of gas molecules by the means of density functional theory (DFT) for the typical structures of organic gases and compared their electric strengths. By this method, we find part of the key properties of the molecule which are related to the electric strength, including the vertical electron affinity, the lowest unoccupied molecule orbit (LUMO) energy, molecule orbits distribution and negative-ion system energy. We also listed some molecule groups such as unsaturated carbons double bonds (C=C) and carbonitrile bonds (C≡N) which have high electric strength theoretically by this method. supported by National Natural Science Foundation of China (Nos. 51177101 and 51337006)

  14. Co(II)-doped MOF-5 nano/microcrystals: Solvatochromic behaviour, sensing solvent molecules and gas sorption property

    SciTech Connect

    Yang, Ji-Min; Liu, Qing; Sun, Wei-Yin

    2014-10-15

    Co(II)-doped MOF-5 nano/microcrystals with controllable morphology and size were successfully obtained by solvothermal method. The products were characterized by powder X-ray diffraction (PXRD), energy dispersive spectrometry (EDS), field emission scanning electron microscopy (FESEM), thermogravimetric analysis (TGA), inductively coupled plasma optical emission spectrometer (ICP-OES), elemental analysis, UV–vis and infrared (IR) spectroscopy. The factors influencing the crystal morphology and size were investigated. The gas sorption measurements reveal that highly crystalline particles have large Langmuir surface area. It was found that the Co(II)-doped MOF-5 shows enhanced hydrostability and the sorption profiles of the Co(II)-doped MOF-5 nano/microcrystals are dependent on the morphology and size of the particles. Porous Co(II)-doped MOF-5 is stable upon the removal of guest molecules and exhibits different colour with accommodating different solvent molecule, which means that it can act as solvatochromic sensing materials for recognition of solvent molecules. - Graphical abstract: Co(II)-doped MOF-5 nano/microcrystals with different shapes and sizes were synthesized by a facile hydrothermal method, which not only enhance gas sorption properties and structural stability of MOFs towards moisture, but also act as new sensing materials for sensing small molecules. - Highlights: • Co(II)-doped MOF-5 nano/microcrystals with controllable morphology and size were obtained. • Co(II)-doped MOF-5 nano/microcrystals enhance the structural stability towards moisture. • Co(II)-doped MOF-5 can act as new sensing material for sensing small molecules.

  15. Heating of interstellar gas by large molecules or small grains

    SciTech Connect

    Lepp, S.; Dalgarno, A.

    1988-12-01

    The heating of the interstellar medium by photoelectric emission from large molecules or small grains is explored. Photodetachment of large negative ions may be a significant heat source in diffuse clouds. For an abundance of large molecules relative to hydrogen greater than 2 x 10 to the -7th, the heating rate from the photoelectrons produced in the photoionization of large molecules and the photodetachment of large molecular negative ions exceeds the standard grain-heating rate. Theoretical models have been used to infer the abundances of large molecules from the C(+)/C abundance ratios in the interstellar clouds toward Zeta Oph and Zeta Per. 33 references.

  16. Adsorption of two gas molecules at a single metal site in a metal–organic framework

    SciTech Connect

    Runčevski, Tomče; Kapelewski, Matthew T.; Torres-Gavosto, Rodolfo M.; Tarver, Jacob D.; Brown, Craig M.; Long, Jeffrey R.

    2016-01-01

    One strategy to markedly increase the gas storage capacity of metal–organic frameworks is to introduce coordinatively-unsaturated metal centers capable of binding multiple gas molecules. Herein, we provide an initial demonstration that a single metal site within a framework can support the terminal coordination of two gas molecules—specifically hydrogen, methane, or carbon dioxide.

  17. Noise coupling between accommodation and accommodative vergence

    NASA Technical Reports Server (NTRS)

    Wilson, D.

    1973-01-01

    For monocular viewing, the fluctuations in accommodative lens power in the frequency range from 0.5 to 3 Hz were found to be considerably greater than those in accommodative vergence movements of the covered eye. Considering the close synkinesis between these motor responses for step changes or slow variations in accommodative stimulus, this finding is unexpected. This apparent lack of synkinesis is found to result mainly from the fact that the decrease in small-signal linear gain with increasing frequency is more rapid in the case of the accommodative vergence system than in the case of the accommodation system, rather than from some nonlinear phenomenon.

  18. Infrared Spectroscopy of Molecules in the Gas Phase

    NASA Astrophysics Data System (ADS)

    Zhang, Keqing

    Fourier transform infrared spectroscopy is applied to the studies of several very different molecular systems. The spectra of the diatomic molecules BF, AlF, and MgF were recorded and analyzed. Dunham coefficients were obtained. The data of two isotopomers, 11BF and 10BF, were used to determine the mass-reduced Dunham coefficients, along with Born-Oppenheimer breakdown constants. Parameterized potential energy functions of BF and AlF were determined by fitting the available data using the solutions of the radial Schrodinger equation. Two vibrational modes of the short-lived and reactive BrCNO molecule were recorded at high resolution. Rotation-vibration transitions of the fundamental bands of both isotopomers 79BrCNO and 81BrCNO were assigned and analyzed. From the rotational constants, it was found that the Br-C bond length in BrCNO anomalously short when a linear geometry was assumed. This may indicate that BrCNO is quasi-linear, simulating the parent HCNO molecule. The emission spectra of the gaseous polycyclic aromatic hydrocarbon (PAH) molecules naphthalene, anthracene, pyrene, and chrysene were recorded in the far-infrared and mid-infrared regions. The assignments of fundamental modes and some combination modes were made. The vibrational bands that lie in the far-infrared are unique for different PAHs and allow discrimination among the four PAH molecules. The far-infrared PAH spectra, therefore, may prove useful in the assignments of unidentified spectral features from astronomical objects.

  19. Direct Observation of a Gas Molecule (H2, Ar) Swallowed by C60

    SciTech Connect

    Sawa, H.; Kakiuchi, T.; Wakabayashi, Y.; Murata, Y.; Murata, M.; Komatsu, K.; Yakigaya, K.; Takagi, H.; Dragoe, N.

    2007-01-19

    Various types of endohedral fullerene complexes are known to date. The well known metallofullerenes are generally produced by arc-discharge method, but the use of such extremely drastic conditions is apparently not suitable for encapsulation of unstable molecules or gases. We recently succeeded in incorporation of a H2 molecule or an Ar atom in 100% into a C60. In order to observe the endohedral gas molecule directly, the X-ray diffraction analysis using synchrotron radiation were carried out. We observed a gas molecule encapsulated in each fullerene cage using structure analysis and the maximum entropy method. These gas molecules are floating inside of the hollow cavities and are completely isolated from the outside.

  20. Interactions of gas molecules with monolayer MoSe2: A first principle study

    NASA Astrophysics Data System (ADS)

    Sharma, Munish; Jamdagni, Pooja; Kumar, Ashok; Ahluwalia, P. K.

    2016-05-01

    We present a first principle study of interaction of toxic gas molecules (NO, NO2 and SO2) with monolayer MoSe2. The predicted order of sensitivity of gas molecule is NO2 > SO2 > NO. Adsorbed molecules strongly influence the electronic behaviour of monolayer MoSe2 by inducing impurity levels in the vicinity of Fermi energy. NO and SO2 is found to induce p-type doping effect while semiconductor to metallic transitions occur on NO2 adsorption. Our findings may guide the experimentalist for fabricating sensor devices based on MoSe2 monolayer.

  1. Molecules, magic and forgetful fruit flies: the supernatural science of medical gas research.

    PubMed

    Mychaskiw, George

    2011-01-01

    Medical gas research often involves the study of molecules under extraphysiologic conditions, that is, conditions that do not exist in nature. This "supernatural" nature of medical gas research sometimes produces results that appear to be almost "magic" to those schooled in traditional physiology"Any sufficiently advanced technology is indistinguishable from magic".-Arthur C. Clarke. PMID:22146602

  2. Molecules, magic and forgetful fruit flies: the supernatural science of medical gas research

    PubMed Central

    2011-01-01

    Medical gas research often involves the study of molecules under extraphysiologic conditions, that is, conditions that do not exist in nature. This "supernatural" nature of medical gas research sometimes produces results that appear to be almost "magic" to those schooled in traditional physiology "Any sufficiently advanced technology is indistinguishable from magic". -Arthur C. Clarke PMID:22146602

  3. Understanding and controlling laser-matter interactions: From solvated dye molecules to polyatomic molecules in gas phase

    NASA Astrophysics Data System (ADS)

    Konar, Arkaprabha

    The goal of my research is to obtain a better understanding of the various processes that occur during and following laser-matter interactions from both the physical and chemical point of view. In particular I focused my research on understanding two very important aspects of laser-matter interaction; 1) Intense laser-matter interactions for polyatomic molecules in the gas phase in order to determine to what extent processes like excitation, ionization and fragmentation can be controlled by modifying the phase and amplitude of the laser field according to the timescales for electronic, vibrational and rotational energy transfer. 2) Developing pulse shaping based single beam methods aimed at studying solvated molecules in order to elucidate processes like inhomogeneous broadening, solvatochromic shift and to determine the electronic coherence lifetimes of solvated molecules. The effect of the chirped femtosecond pulses on fluorescence and stimulated emission from solvated dye molecules was studied and it was observed that the overall effect depends quadratically on pulse energy, even where excitation probabilities range from 0.02 to 5%, in the so-called "linear excitation regime". The shape of the chirp dependence is found to be independent of the energy of the pulse. It was found that the chirp dependence reveals dynamics related to solvent rearrangement following excitation and also depends on electronic relaxation of the chromophore. Furthermore, the chirped pulses were found to be extremely sensitive to solvent environment and that the complementary phases having the opposite sign provide information about the electronic coherence lifetimes. Similar to chirped pulses, the effects of a phase step on the excitation spectrum and the corresponding changes to the stimulated emission spectrum were also studied and it was found that the coherent feature on the spectrum is sensitive to the dephasing time of the system. Therefore a single phase scanning method can

  4. Organic molecules in the gas phase of dense interstellar clouds.

    PubMed

    Irvine, W M

    1995-03-01

    Since a previous COSPAR review on this subject, the number of molecular species identified by astronomers in dense interstellar clouds or in the envelopes expelled by evolved stars has grown from about eighty to approximately one hundred. Recent detections in stellar envelopes include the radical CP, the second phosphorus-containing astronomical molecule; SiN, the first astronomical molecule with a Si-N bond; and the HCCN radical. In the dense interstellar clouds recent detections or verifications of previous possible identifications include the H3O+ ion, which is a critical intermediary in the production of H2O and O2; the CCO radical, which is isoelectronic with HCCN; the SO+ ion, which appears to be diagnostic of shock chemistry; two new isomers of cyanoacetylene, HCCNC and CCCNH; and the two cumulenes H2C3 and H2C4. Some recent work is also described on the mapping of interstellar clouds in multiple molecular transitions in order to separate variations in chemical abundance from gradients in physical parameters. PMID:11539249

  5. GAS-PHASE MOLECULAR DYNAMICS: VIBRATIONAL DYNAMICS OF POLYATOMIC MOLECULES

    SciTech Connect

    MUCKERMAN,J.T.

    1999-06-09

    The goal of this research is the understanding of elementary chemical and physical processes important in the combustion of fossil fuels. Interest centers on reactions and properties of short-lived chemical intermediates. High-resolution, high-sensitivity, laser absorption methods are augmented by high-temperature, flow-tube reaction kinetics studies with mass-spectrometric sampling. These experiments provide information on the energy levels, structures and reactivity of molecular free radical species and, in turn, provide new tools for the study of energy flow and chemical bond cleavage in radicals involved in chemical systems. The experimental work is supported by theoretical studies using time-dependent quantum wavepacket calculations, which provide insight into energy flow among the vibrational modes of polyatomic molecules and interference effects in multiple-surface dynamics.

  6. Gas-Phase Molecular Dynamics: Vibrational Dynamics of Polyatomic Molecules

    SciTech Connect

    Muckerman, J.T.

    1999-05-21

    The goal of this research is the understanding of elementary chemical and physical processes important in the combustion of fossil fuels. Interest centers on reactions and properties of short-lived chemical intermediates. High-resolution, high-sensitivity, laser absorption methods are augmented by high- temperature, flow-tube reaction kinetics studies with mass-spectrometic sampling. These experiments provide information on the energy levels, structures and reactivity of molecular free radical species and in turn, provide new tools for the study of energy flow and chemical bond cleavage in the radicals involved in chemical systems. The experimental work is supported by theoretical studies using time-dependent quantum wavepacket calculations, which provide insight into energy flow among the vibrational modes of polyatomic molecules and interference effects in multiple-surface dynamics.

  7. Adsorption and Gas Separation of Molecules by Carbon Nanohorns.

    PubMed

    Gatica, Silvina M; Nekhai, Anton; Scrivener, Adam

    2016-01-01

    In this paper, we report the results of Monte Carlo simulations of the adsorption of neon, argon, methane and carbon dioxide in carbon nanohorns. We model the nanohorns as an array of carbon cones and obtained adsorption isotherms and isosteric heats. The main sites of adsorption are inside the cones and in the interstices between three cones. We also calculated the selectivity of carbon dioxide/methane, finding that nanohorns are a suitable substrate for gas separation. Our simulations are compared to available experimental data. PMID:27213313

  8. Creation of a low-entropy quantum gas of polar molecules in an optical lattice

    NASA Astrophysics Data System (ADS)

    Moses, Steven A.; Covey, Jacob P.; Miecnikowski, Matthew T.; Yan, Bo; Gadway, Bryce; Ye, Jun; Jin, Deborah S.

    2015-11-01

    Ultracold polar molecules, with their long-range electric dipolar interactions, offer a unique platform for studying correlated quantum many-body phenomena. However, realizing a highly degenerate quantum gas of molecules with a low entropy per particle is challenging. We report the synthesis of a low-entropy quantum gas of potassium-rubidium molecules (KRb) in a three-dimensional optical lattice. We simultaneously load into the optical lattice a Mott insulator of bosonic Rb atoms and a single-band insulator of fermionic K atoms. Then, using magnetoassociation and optical state transfer, we efficiently produce ground-state molecules in the lattice at those sites that contain one Rb and one K atom. The achieved filling fraction of 25% should enable future studies of transport and entanglement propagation in a many-body system with long-range dipolar interactions.

  9. Creation of a low-entropy quantum gas of polar molecules in an optical lattice.

    PubMed

    Moses, Steven A; Covey, Jacob P; Miecnikowski, Matthew T; Yan, Bo; Gadway, Bryce; Ye, Jun; Jin, Deborah S

    2015-11-01

    Ultracold polar molecules, with their long-range electric dipolar interactions, offer a unique platform for studying correlated quantum many-body phenomena. However, realizing a highly degenerate quantum gas of molecules with a low entropy per particle is challenging. We report the synthesis of a low-entropy quantum gas of potassium-rubidium molecules (KRb) in a three-dimensional optical lattice. We simultaneously load into the optical lattice a Mott insulator of bosonic Rb atoms and a single-band insulator of fermionic K atoms. Then, using magnetoassociation and optical state transfer, we efficiently produce ground-state molecules in the lattice at those sites that contain one Rb and one K atom. The achieved filling fraction of 25% should enable future studies of transport and entanglement propagation in a many-body system with long-range dipolar interactions. PMID:26542566

  10. Superhard Coatings Synthesis Assisted by Pulsed Beams of High-Energy Gas Molecules

    NASA Astrophysics Data System (ADS)

    Metel, Alexander; Bolbukov, Vasily; Volosova, Marina; Grigoriev, Sergei; Melnik, Yury; Department of high-efficiency machining technologies Team

    2015-09-01

    For production of nanocomposite superhard (HV 5000) and fracture-tough coatings on dielectric substrates a source of metal atoms accompanied by pulsed beams of 30-keV neutral molecules was used. The source is equipped with two parallel equipotential grids placed between a magnetron target and a substrate. Negative high-voltage pulses applied to the high-transparency grids accelerate from the magnetron plasma ions, which are transformed into high-energy neutral molecules due to charge-exchange collisions with gas molecules between the grids. Mixing of the substrate and coating materials through bombardment by high-energy gas molecules results in an adequate compressive stress of the coating and interface width exceeding 1 μm, which allows deposition of 100- μm-thick coatings with a perfect adhesion. The work was supported by the Grant No. 14-29-00297 of the Russian Science Foundation.

  11. Formation of van der Waals molecules in buffer-gas-cooled magnetic traps [corrected].

    PubMed

    Brahms, N; Tscherbul, T V; Zhang, P; Kłos, J; Sadeghpour, H R; Dalgarno, A; Doyle, J M; Walker, T G

    2010-07-16

    We predict that a large class of helium-containing cold polar molecules form readily in a cryogenic buffer gas, achieving densities as high as 10(12)  cm(-3). We explore the spin relaxation of these molecules in buffer-gas-loaded magnetic traps and identify a loss mechanism based on Landau-Zener transitions arising from the anisotropic hyperfine interaction. Our results show that the recently observed strong T(-6) thermal dependence of the spin-change rate of silver (Ag) trapped in dense (3)He is accounted for by the formation and spin change of Ag(3)He van der Waals molecules, thus providing indirect evidence for molecular formation in a buffer-gas trap. PMID:20867761

  12. Nonequilibrium vibrational excitation of molecules behind a shock front in a gas mixture

    NASA Astrophysics Data System (ADS)

    Dobkin, S. V.; Son, E. E.

    1981-10-01

    It is shown that when a shock wave propagates in a light gas with a small admixture of heavy gas, the nonequilibrium vibrational excitation of molecules of the heavy gas can occur. In this case, the vibrational temperature can increase to values exceeding the gas temperature behind the shock wave, in contrast to the equilibrium case. Vibrational energy in a shock wave in a mixture of helium and uranium hexafluoride is calculated as an example. The possibility of experimentally observing this effect is discussed.

  13. PAHs molecules and heating of the interstellar gas

    NASA Technical Reports Server (NTRS)

    Verstraete, Laurent; Leger, Alain; Dhendecourt, Louis B.; Dutuit, O.; Defourneau, D.

    1989-01-01

    Until now it has remained difficult to account for the rather high temperatures seen in many diffuse interstellar clouds. Various heating mechanisms have been considered: photoionization of minor species, ionization of H by cosmic rays, and photoelectric effect on small grains. Yet all these processes are either too weak or efficient under too restricting conditions to balance the observed cooling rates. A major heat source is thus still missing in the thermal balance of the diffuse gas. Using photoionization cross sections measured in the lab, it was shown that in order to balance the observed cooling rates in cold diffuse clouds (T approx. 80 K) the PAHs would have to contain 15 percent of the cosmic abundance of carbon. This value does not contradict the former estimation of 6 percent deduced from the IR emission bands since this latter is to be taken as a lower limit. Further, it was estimated that the contribution to the heating rate due to PAH's in a warm HI cloud, assuming the same PAH abundance as for a cold HI cloud, would represent a significant fraction of the value required to keep the medium in thermal balance. Thus, photoionization of PAHs might well be a major heat source for the cold and warm HI media.

  14. Composite thermochemistry of gas phase U(VI)-containing molecules

    SciTech Connect

    Bross, David H.; Peterson, Kirk A.

    2014-12-28

    Reaction energies have been calculated for a series of reactions involving UF{sub 6}, UO{sub 3}, UO{sub 2}(OH){sub 2}, and UO{sub 2}F{sub 2} using coupled cluster singles and doubles with perturbative triples, CCSD(T), with a series of correlation consistent basis sets, including newly developed pseudopotential (PP)- and all-electron (AE) Douglas-Kroll-Hess-based sets for the U atom. The energies were calculated using a Feller-Peterson-Dixon composite approach in which CCSD(T) complete basis set (CBS) limits were combined with a series of additive contributions for spin-orbit coupling, outer-core correlation, and quantum electrodynamics effects. The calculated reaction enthalpies (both PP and AE) were combined with the accurately known heat of formation of UF{sub 6} to determine the enthalpies of formation of UO{sub 3}, UO{sub 2}(OH){sub 2}, and UO{sub 2}F{sub 2}. The contribution to the reaction enthalpies due to correlation of the 5s5p5d electrons of U was observed to be very slowly convergent with basis set and at the CBS limit their impact on the final enthalpies was on the order of 1 kcal/mol or less. For these closed shell molecules, spin-orbit effects contributed about 1 kcal/mol to the final enthalpies. Interestingly, the PP and AE approaches yielded quite different spin-orbit contributions (similar magnitude but opposite in sign), but the total scalar plus spin-orbit results from the two approaches agreed to within ∼1 kcal/mol of each other. The final composite heat of formation for UO{sub 2}F{sub 2} was in excellent agreement with experiment, while the two results obtained for UO{sub 3} were just outside the ±2.4 kcal/mol error bars of the currently recommended experimental value. An improved enthalpy of formation (298 K) for UO{sub 2}(OH){sub 2} is predicted from this work to be −288.7 ± 3 kcal/mol, compared to the currently accepted experimental value of −292.7 ± 6 kcal/mol.

  15. Composite thermochemistry of gas phase U(VI)-containing molecules.

    PubMed

    Bross, David H; Peterson, Kirk A

    2014-12-28

    Reaction energies have been calculated for a series of reactions involving UF6, UO3, UO2(OH)2, and UO2F2 using coupled cluster singles and doubles with perturbative triples, CCSD(T), with a series of correlation consistent basis sets, including newly developed pseudopotential (PP)- and all-electron (AE) Douglas-Kroll-Hess-based sets for the U atom. The energies were calculated using a Feller-Peterson-Dixon composite approach in which CCSD(T) complete basis set (CBS) limits were combined with a series of additive contributions for spin-orbit coupling, outer-core correlation, and quantum electrodynamics effects. The calculated reaction enthalpies (both PP and AE) were combined with the accurately known heat of formation of UF6 to determine the enthalpies of formation of UO3, UO2(OH)2, and UO2F2. The contribution to the reaction enthalpies due to correlation of the 5s5p5d electrons of U was observed to be very slowly convergent with basis set and at the CBS limit their impact on the final enthalpies was on the order of 1 kcal/mol or less. For these closed shell molecules, spin-orbit effects contributed about 1 kcal/mol to the final enthalpies. Interestingly, the PP and AE approaches yielded quite different spin-orbit contributions (similar magnitude but opposite in sign), but the total scalar plus spin-orbit results from the two approaches agreed to within ∼1 kcal/mol of each other. The final composite heat of formation for UO2F2 was in excellent agreement with experiment, while the two results obtained for UO3 were just outside the ±2.4 kcal/mol error bars of the currently recommended experimental value. An improved enthalpy of formation (298 K) for UO2(OH)2 is predicted from this work to be -288.7 ± 3 kcal/mol, compared to the currently accepted experimental value of -292.7 ± 6 kcal/mol. PMID:25554152

  16. Site-selective patterning of organic luminescent molecules via gas phase deposition.

    PubMed

    Hao, Juanyuan; Lu, Nan; Wu, Qiong; Hu, Wei; Chen, Xiaodong; Zhang, Hongyu; Wu, Ying; Wang, Yue; Chi, Lifeng

    2008-05-20

    In this paper, we present a bottom-up approach to pattern organic luminescent molecules with a feature size down to sub-100 nm over wafer-sized areas. This method is based on the selective gas deposition of organic molecules on self-organized patterned structures, which consist of an organic monolayer with two different phases rather than different materials. The site selectivity is controllable by deposition rate and the pattern features. The reason for the site selectivity may be due to the nucleation and diffusion behaviors of the deposited organic molecules on different monolayer phases. PMID:18370416

  17. Creating a quantum degenerate gas of stable molecules via weak photoassociation

    NASA Astrophysics Data System (ADS)

    Mackie, Matt; Phou, Pierre

    2010-07-01

    Quantum degenerate molecules represent a new paradigm for fundamental studies and practical applications. Association of already quantum degenerate atoms into molecules provides a crucial shortcut around the difficulty of cooling molecules to ultracold temperatures. Whereas association can be induced with either laser or magnetic fields, photoassociation requires impractical laser intensity to overcome poor overlap between the atom pair and molecular wave functions, and experiments are currently restricted to magnetoassociation. Here we model realistic production of a quantum degenerate gas of stable molecules via two-photon photoassociation of Bose-condensed atoms. An adiabatic change of the laser frequency converts the initial atomic condensate almost entirely into stable molecular condensate, even for low-intensity lasers. Results for dipolar LiNa provide an upper bound on the necessary photoassociation laser intensity for alkali-metal atoms ~30 W/cm2, indicating a feasible path to quantum degenerate molecules beyond magnetoassociation.

  18. Laboratory Studies of Stabilities of Heterocyclic Aromatic Molecules: Suggested Gas Phase Ion-Molecule Routes to Production in Interstellar Gas Clouds

    NASA Astrophysics Data System (ADS)

    Adams, N. G.; Fondren, L. D.; McLain, J. L.; Jackson, D. M.

    Several ring compounds have been detected in interstellar gas clouds, ISC, including the aromatic, benzene. Polycyclic aromatic hydrocarbons, PAH's, have been implicated as carriers of diffuse interstellar bands (DIB's) and unidentified infrared (UIR) bands. Heterocyclic aromatic rings of intermediate size containing nitrogen, possibly PreLife molecules, were included in early searches but were not detected and a recent search for Pyrimidine was unsuccessful. Our laboratory investigations of routes to such molecules could establish their existence in ISC and suggest conditions under which their concentrations would be maximized thus aiding the searches. The stability of such ring compounds (C_5H_5N, C_4H_4N_2, C_5H_{11}N and C_4H_8O_2) has been tested in the laboratory using charge transfer excitation in ion-molecule reactions. The fragmentation paths, including production of C_4H_4^+, C_3H_3N^+ and HCN, suggest reverse routes to the parent molecules, which are presently under laboratory investigation as production sources.

  19. Laboratory Studies of Stabilities of Heterocyclic Aromatic Molecules: Suggested Gas Phase Ion-Molecule Routes to Production in Interstellar Gas Clouds

    NASA Technical Reports Server (NTRS)

    Adams, Nigel G.; Fondren, L. Dalila; McLain, Jason L.; Jackson, Doug M.

    2006-01-01

    Several ring compounds have been detected in interstellar gas clouds, ISC, including the aromatic, benzene. Polycyclic aromatic hydrocarbons, PAHs, have been implicated as carriers of diffuse interstellar bands (DIBs) and unidentified infrared (UIR) bands. Heterocyclic aromatic rings of intermediate size containing nitrogen, possibly PreLife molecules, were included in early searches but were not detected and a recent search for Pyrimidine was unsuccessful. Our laboratory investigations of routes to such molecules could establish their existence in ISC and suggest conditions under which their concentrations would be maximized thus aiding the searches. The stability of such ring compounds (C5H5N, C4H4N2, C5H11N and C4H8O2) has been tested in the laboratory using charge transfer excitation in ion-molecule reactions. The fragmentation paths, including production of C4H4(+), C3H3N(+) and HCN, suggest reverse routes to the parent molecules, which are presently under laboratory investigation as production sources.

  20. A quantum gas of ground state molecules in an optical lattice

    NASA Astrophysics Data System (ADS)

    Danzl, Johann; Mark, Manfred; Haller, Elmar; Gustavsson, Mattias; Hart, Russell; Nägerl, Hanns-Christoph

    2009-05-01

    Ultracold samples of molecules are ideally suited for fundamental studies in physics and chemistry. For many of the proposed experiments full molecular state control and high phase space densities are needed. We create a dense quantum gas of ground state Cs2 molecules trapped at the wells of a 3D optical lattice, i.e. a molecular Mott-insulator-like state with ground state molecules with vibrational quantum number v = 0. We first efficiently produce weakly bound molecules with v 155 on a Feshbach resonance out of an atomic Mott-insulator state that is obtained from a Bose-Einstein condensate (BEC) of Cs atoms. These molecules are then (coherently) transferred to the ground state by two sequential two-photon STIRAP processes via the intermediate vibrational level v 73 ^1. The molecule production efficiency and the single-step STIRAP transfer efficiency reach 50% and 80%, respectively. We discuss the stability of the system and our progress towards the creation of a BEC of ground state molecules, which is expected to form when the molecular Mott-like state is ``melted'' upon lowering the lattice depth and releasing the molecules from the wells into a large volume trap. ^1J. G. Danzl, E. Haller, M. Gustavsson, M. Mark, R. Hart, N. Bouloufa, O. Dulieu, H. Ritsch, H.-C. Nägerl, Science 321, 1062 (2008).

  1. Probing Buffer-Gas Cooled Molecules with Direct Frequency Comb Spectroscopy in the Mid-Infrrared

    NASA Astrophysics Data System (ADS)

    Spaun, Ben; Changala, Bryan; Bjork, Bryce J.; Heckl, Oliver H.; Patterson, David; Doyle, John M.; Ye, Jun

    2015-06-01

    We present the first demonstration of cavity-enhanced direct frequency comb spectroscopy on buffer-gas cooled molecules.By coupling a mid-infrared frequency comb to a high-finesse cavity surrounding a helium buffer-gas chamber, we can gather rotationally resolved absorption spectra with high sensitivity over a broad wavelength region. The measured ˜10 K rotational and translational temperatures of buffer-gas cooled molecules drastically simplify the observed spectra, compared to those of room temperature molecules, and allow for high spectral resolution limited only by Doppler broadening (10-100 MHz). Our system allows for the extension of high-resolution spectroscopy to larger molecules, enabling detailed analysis of molecular structure and dynamics, while taking full advantage of the powerful optical properties of frequency combs. A. Foltynowicz et al. Cavity-enhanced optical frequency comb spectroscopy in the mid-infrared application to trace detection of hydrogen peroxide. Applied Physics B, vol. 110, pp. 163-175, 2013. {D. Patterson and J. M. Doyle. Cooling molecules in a cell for FTMW spectroscopy. Molecular Physics 110, 1757-1766, 2012

  2. Bombardment of gas molecules on single graphene layer at high temperature

    NASA Astrophysics Data System (ADS)

    Murugesan, Ramki; Park, Jae Hyun; Ha, Dong Sung

    2014-12-01

    Graphite is widely used as a material for rocket-nozzle inserts due to its excellent thermo-physical properties as well as low density. During the operation of rockets, the surface of the graphite nozzle is subjected to very high heat fluxes and the undesirable erosion of the surface occurs due to the bombardment of gas molecules with high kinetic energy, which causes a significant reduction of nozzle performance. However, the understanding and quantification of such bombardment is not satisfactory due to its complexity: The bond breaking-forming happens simultaneously for the carbon atoms of graphene, some gas molecules penetrate through the surface, some of them are reflected from the surface, etc. In the present study, we perform extensive molecular dynamics (MD) simulations to examine the bombardment phenomena in high temperature environment (several thousand Kelvin). Advanced from the previous studies that have focused on the bombardment by light molecules (e.g., H2), we will concentrate on the impact by realistic molecules (e.g., CO2 and H2O ). LAMMPS is employed for the MD simulations with NVE ensemble and AIREBO potential for graphene. The molecular understanding of the interaction between graphene and highly energetic gas molecules will enable us to design an efficient thermo-mechanical protection system.

  3. Bombardment of gas molecules on single graphene layer at high temperature

    SciTech Connect

    Murugesan, Ramki; Park, Jae Hyun; Ha, Dong Sung

    2014-12-09

    Graphite is widely used as a material for rocket-nozzle inserts due to its excellent thermo-physical properties as well as low density. During the operation of rockets, the surface of the graphite nozzle is subjected to very high heat fluxes and the undesirable erosion of the surface occurs due to the bombardment of gas molecules with high kinetic energy, which causes a significant reduction of nozzle performance. However, the understanding and quantification of such bombardment is not satisfactory due to its complexity: The bond breaking-forming happens simultaneously for the carbon atoms of graphene, some gas molecules penetrate through the surface, some of them are reflected from the surface, etc. In the present study, we perform extensive molecular dynamics (MD) simulations to examine the bombardment phenomena in high temperature environment (several thousand Kelvin). Advanced from the previous studies that have focused on the bombardment by light molecules (e.g., H{sub 2}), we will concentrate on the impact by realistic molecules (e.g., CO{sub 2} and H{sub 2}O). LAMMPS is employed for the MD simulations with NVE ensemble and AIREBO potential for graphene. The molecular understanding of the interaction between graphene and highly energetic gas molecules will enable us to design an efficient thermo-mechanical protection system.

  4. A Gas Chromatography Experiment for Proving the Application of Quantum Symmetry Restrictions in Homonuclear Diatomic Molecules.

    ERIC Educational Resources Information Center

    Dosiere, M.

    1985-01-01

    Background information, procedures used, and typical results obtained are provided for an experiment in which gas chromatography is used to prove the application of quantum symmetry restrictions in homonuclear diatomic molecules. Comparisons between experimental results and theoretical computed values show good agreement, within one to two…

  5. Ground state of a hydrogen ion molecule immersed in an inhomogeneous electron gas

    NASA Astrophysics Data System (ADS)

    Diaz-Valdes, J.; Gutierrez, F. A.; Matamala, A. R.; Denton, C. D.; Vargas, P.; Valdes, J. E.

    2007-01-01

    In this work we have calculated the ground state energy of the hydrogen molecule, H2+, immersed in the highly inhomogeneous electron gas around a metallic surface within the local density approximation. The molecule is perturbed by the electron density of a crystalline surface of Au <1 0 0> with the internuclear axis parallel to the surface. The surface spatial electron density is calculated through a linearized band structure method (LMTO-DFT). The ground state of the molecule-ion was calculated using the Born-Oppenheimer approximation for a fixed-ion while the screening effects of the inhomogeneous electron gas are depicted by a Thomas-Fermi like electrostatic potential. We found that within our model the molecular ion dissociates at the critical distance of 2.35 a.u. from the first atomic layer of the solid.

  6. Adsorption of gas molecules on monolayer MoS2 and effect of applied electric field

    NASA Astrophysics Data System (ADS)

    Yue, Qu; Shao, Zhengzheng; Chang, Shengli; Li, Jingbo

    2013-10-01

    Using first-principles calculations, we investigate the adsorption of various gas molecules (H2, O2, H2O, NH3, NO, NO2, and CO) on monolayer MoS2. The most stable adsorption configuration, adsorption energy, and charge transfer are obtained. It is shown that all the molecules are weakly adsorbed on the monolayer MoS2 surface and act as charge acceptors for the monolayer, except NH3 which is found to be a charge donor. Furthermore, we show that charge transfer between the adsorbed molecule and MoS2 can be significantly modulated by a perpendicular electric field. Our theoretical results are consistent with the recent experiments and suggest MoS2 as a potential material for gas sensing application.

  7. Adsorption of gas molecules on monolayer MoS2 and effect of applied electric field.

    PubMed

    Yue, Qu; Shao, Zhengzheng; Chang, Shengli; Li, Jingbo

    2013-01-01

    : Using first-principles calculations, we investigate the adsorption of various gas molecules (H2, O2, H2O, NH3, NO, NO2, and CO) on monolayer MoS2. The most stable adsorption configuration, adsorption energy, and charge transfer are obtained. It is shown that all the molecules are weakly adsorbed on the monolayer MoS2 surface and act as charge acceptors for the monolayer, except NH3 which is found to be a charge donor. Furthermore, we show that charge transfer between the adsorbed molecule and MoS2 can be significantly modulated by a perpendicular electric field. Our theoretical results are consistent with the recent experiments and suggest MoS2 as a potential material for gas sensing application. PMID:24134512

  8. Guest Molecule Exchange Kinetics for the 2012 Ignik Sikumi Gas Hydrate Field Trial

    SciTech Connect

    White, Mark D.; Lee, Won Suk

    2014-05-14

    A commercially viable technology for producing methane from natural gas hydrate reservoirs remains elusive. Short-term depressurization field tests have demonstrated the potential for producing natural gas via dissociation of the clathrate structure, but the long-term performance of the depressurization technology ultimately requires a heat source to sustain the dissociation. A decade of laboratory experiments and theoretical studies have demonstrated the exchange of pure CO2 and N2-CO2 mixtures with CH4 in sI gas hydrates, yielding critical information about molecular mechanisms, recoveries, and exchange kinetics. Findings indicated the potential for producing natural gas with little to no production of water and rapid exchange kinetics, generating sufficient interest in the guest-molecule exchange technology for a field test. In 2012 the U.S. DOE/NETL, ConocoPhillips Company, and Japan Oil, Gas and Metals National Corporation jointly sponsored the first field trial of injecting a mixture of N2-CO2 into a CH4-hydrate bearing formation beneath the permafrost on the Alaska North Slope. Known as the Ignik Sikumi #1 Gas Hydrate Field Trial, this experiment involved three stages: 1) the injection of a N2-CO2 mixture into a targeted hydrate-bearing layer, 2) a 4-day pressurized soaking period, and 3) a sustained depressurization and fluid production period. Data collected during the three stages of the field trial were made available after an extensive quality check. These data included continuous temperature and pressure logs, injected and recovered fluid compositions and volumes. The Ignik Sikumi #1 data set is extensive, but contains no direct evidence of the guest-molecule exchange process. This investigation is directed at using numerical simulation to provide an interpretation of the collected data. A numerical simulator, STOMP-HYDT-KE, was recently completed that solves conservation equations for energy, water, mobile fluid guest molecules, and hydrate guest

  9. Adsorption Mechanism of Inhibitor and Guest Molecules on the Surface of Gas Hydrates.

    PubMed

    Yagasaki, Takuma; Matsumoto, Masakazu; Tanaka, Hideki

    2015-09-23

    The adsorption of guest and kinetic inhibitor molecules on the surface of methane hydrate is investigated by using molecular dynamics simulations. We calculate the free energy profile for transferring a solute molecule from bulk water to the hydrate surface for various molecules. Spherical solutes with a diameter of ∼0.5 nm are significantly stabilized at the hydrate surface, whereas smaller and larger solutes exhibit lower adsorption affinity than the solutes of intermediate size. The range of the attractive force is subnanoscale, implying that this force has no effect on the macroscopic mass transfer of guest molecules in crystal growth processes of gas hydrates. We also examine the adsorption mechanism of a kinetic hydrate inhibitor. It is found that a monomer of the kinetic hydrate inhibitor is strongly adsorbed on the hydrate surface. However, the hydrogen bonding between the amide group of the inhibitor and water molecules on the hydrate surface, which was believed to be the driving force for the adsorption, makes no contribution to the adsorption affinity. The preferential adsorption of both the kinetic inhibitor and the spherical molecules to the surface is mainly due to the entropic stabilization arising from the presence of cavities at the hydrate surface. The dependence of surface affinity on the size of adsorbed molecules is also explained by this mechanism. PMID:26331549

  10. Quantum mechanical computations and spectroscopy: from small rigid molecules in the gas phase to large flexible molecules in solution.

    PubMed

    Barone, Vincenzo; Improta, Roberto; Rega, Nadia

    2008-05-01

    Interpretation of structural properties and dynamic behavior of molecules in solution is of fundamental importance to understand their stability, chemical reactivity, and catalytic action. While information can be gained, in principle, by a variety of spectroscopic techniques, the interpretation of the rich indirect information that can be inferred from the analysis of experimental spectra is seldom straightforward because of the subtle interplay of several different effects, whose specific role is not easy to separate and evaluate. In such a complex scenario, theoretical studies can be very helpful at two different levels: (i) supporting and complementing experimental results to determine the structure of the target molecule starting from its spectral properties; (ii) dissecting and evaluating the role of different effects in determining the observed spectroscopic properties. This is the reason why computational spectroscopy is rapidly evolving from a highly specialized research field into a versatile and widespread tool for the assignment of experimental spectra and their interpretation in terms of chemical physical effects. In such a situation, it becomes important that both computationally and experimentally oriented chemists are aware that new methodological advances and integrated computational strategies are available, providing reliable estimates of fundamental spectral parameters not only for relatively small molecules in the gas phase but also for large and flexible molecules in condensed phases. In this Account, we review the most significant methodological contributions from our research group in this field, and by exploiting some recent results of their application to the computation of IR, UV-vis, NMR, and EPR spectral parameters, we discuss the microscopic mechanisms underlying solvent and vibrational effects on the spectral parameters. After reporting some recent achievements for the study of excited states by first principle quantum mechanical

  11. Enhancement of Sublimation of Single Graphene Layer by Interacting with Gas Molecules in Rarefied Environment

    NASA Astrophysics Data System (ADS)

    Murugesan, Ramki; Park, Jae Hyun

    2014-11-01

    Graphene has excellent mechanical properties. One of them is the resistance to high temperature environment. Since the sublimation temperature of graphene is over 4500 K, it has been used for diverse high temperature applications in order to protect the system. In this study, using extensive molecular dynamics simulations, we show that the sublimation of graphene could be enhanced (occurs at the lower temperature) by interacting with the gas molecules. With increase in temperature, the bonds in graphene becomes so sensitive to interact with the incoming gas molecules. When the temperature is low, the graphene is stable to the impingement of gas molecules: The light H2 gases are stick to the graphene surface and remains being attached while the heavy CO2 and H2O are bounced back from the surface. However, at high temperature H2 gases are absorbed on the graphene and destroy the C -C bonds by forming C -H bonds. The local breakage of bond at the impingement spot spreads the entire graphene soon, causing a complete sublimation. Even though the heavy CO2 and H2O molecules also break the C -C bonds at high temperature,but their impingement effect is localized and the breakage does not propagate over the entire surface. This research was supported by Agency for Defence Development (ADD).

  12. Interface-Induced Ordering of Gas Molecules Confined in a Small Space

    PubMed Central

    Lu, Yi-Hsien; Yang, Chih-Wen; Fang, Chung-Kai; Ko, Hsien-Chen; Hwang, Ing-Shouh

    2014-01-01

    The thermodynamic properties of gases have been understood primarily through phase diagrams of bulk gases. However, observations of gases confined in a nanometer space have posed a challenge to the principles of classical thermodynamics. Here, we investigated interfacial structures comprising either O2 or N2 between water and a hydrophobic solid surface by using advanced atomic force microscopy techniques. Ordered epitaxial layers and cap-shaped nanostructures were observed. In addition, pancake-shaped disordered layers that had grown on top of the epitaxial base layers were observed in oxygen-supersaturated water. We propose that hydrophobic solid surfaces provide low-chemical-potential sites at which gas molecules dissolved in water can be adsorbed. The structures are further stabilized by interfacial water. Here we show that gas molecules can agglomerate into a condensed form when confined in a sufficiently small space under ambient conditions. The crystalline solid surface may even induce a solid-gas state when the gas-substrate interaction is significantly stronger than the gas-gas interaction. The ordering and thermodynamic properties of the confined gases are determined primarily according to interfacial interactions. PMID:25424443

  13. Organic molecules in ices and their release into the gas phase

    NASA Astrophysics Data System (ADS)

    Fayolle, Edith; Oberg, Karin I.; Garrod, Robin; van Dishoeck, Ewine; Rajappan, Mahesh; Bertin, Mathieu; Romanzin, Claire; Michaut, Xavier; Fillion, Jean-Hugues

    2015-08-01

    Organic molecules in the early stages of star formation are mainly produced in icy mantles surrounding interstellar dust grains. Identifying these complex organics and quantifying their abundance during the evolution of young stellar objects is of importance to understand the emergence of life. Simple molecules in ices, up to methanol in size, have been identified in the interstellar medium through their mid-IR vibrations, but band confusion prevents detections of more complex and less abundant organic molecules in interstellar ices. The presence of complex organics on grains can instead be indirectly inferred from observations of their rotational lines in the gas phase following ice sublimation.Thermal sublimation of protostellar ices occurs when icy grains flow toward a central protostar, resulting in the formation of a hot-core or a hot-corinos. The high degree of chemical complexity observed in these dense and warm regions can be the results of i) direct synthesis on the grains followed by desorption, but also to ii) the desorption of precursors from the ice followed by gas-phase chemistry. I will show how spatially resolved millimetric observations of hot cores and cooler protostellar environments, coupled to ice observations can help us pinpoint the ice or gas-phase origin of these organic species.Organic molecules have also recently been observed in cold environments where thermal desorption can be neglected. The presence of these cold molecules in the gas phase is most likely due to non-thermal desorption processes induced by, for e.g., photon-, electron-, cosmic-ray-irradiation, shock, exothermic reactions... I will present laboratory and observational efforts that push our current understanding of these non-thermal desorption processes and how they could be use to quantify the amount of organics in ices.

  14. Plane Poiseuille flow and thermal transpiration of a highly rarefied gas between the two walls of Maxwell-type boundaries with different accommodation coefficients: effect of a weak external force

    NASA Astrophysics Data System (ADS)

    Doi, Toshiyuki

    2015-08-01

    Plane Poiseuille flow and the thermal transpiration of a highly rarefied gas between the two walls of Maxwell-type boundaries with different accommodation coefficients are studied based on kinetic theory when the gas is subject to a weak external force perpendicular to the walls. The flow behavior is studied numerically based on the spatially one-dimensional Boltzmann equation for a hard-sphere gas derived by the asymptotic analysis for a slow variation in the longitudinal direction. Due to the effect of a weak external force, there is an appreciable difference in the mass-flow rate between the flows in which the two walls are interchanged when the mean free path is sufficiently large. If both of the accommodation coefficients are close to unity, the mass-flow rate is reduced due to the effect of the external force. In contrast, if the accommodation coefficient of one wall is considerably smaller than unity, the mass-flow rate of the gas can be enhanced when this wall is placed on the side to which the external force points.

  15. Site-Specific Fragmentation of Polystyrene Molecule Using Size-Selected Ar Gas Cluster Ion Beam

    NASA Astrophysics Data System (ADS)

    Moritani, Kousuke; Mukai, Gen; Hashinokuchi, Michihiro; Mochiji, Kozo

    2009-04-01

    The secondary ion mass spectrum (SIMS) of a polystyrene thin film was investigated using a size-selected Ar gas cluster ion beam (GCIB). The fragmentation in the SIM spectrum varied by kinetic energy per atom (Eatom); the Eatom dependence of the secondary ion intensity of the fragment species of polystyrene can be essentially classified into three types based on the relationship between Eatom and the dissociation energy of a specific bonding site in the molecule. These results indicate that adjusting Eatom of size-selected GCIB may realize site-specific bond breaking within a molecule.

  16. Quantum Phase Transition Between a Luttinger Liquid and a Gas of Cold Molecules

    SciTech Connect

    Law, K. T.; Feldman, D. E.

    2008-08-29

    We consider cold polar molecules confined in a helical optical lattice similar to those used in holographic microfabrication. An external electric field polarizes molecules along the axis of the helix. The large-distance intermolecular dipolar interaction is attractive but the short-scale interaction is repulsive due to geometric constraints and thus prevents collapse. The interaction strength depends on the electric field. We show that a zero-temperature second-order liquid-gas transition occurs at a critical field. It can be observed under experimentally accessible conditions.

  17. Measurements of thermal accommodation coefficients.

    SciTech Connect

    Rader, Daniel John; Castaneda, Jaime N.; Torczynski, John Robert; Grasser, Thomas W.; Trott, Wayne Merle

    2005-10-01

    A previously-developed experimental facility has been used to determine gas-surface thermal accommodation coefficients from the pressure dependence of the heat flux between parallel plates of similar material but different surface finish. Heat flux between the plates is inferred from measurements of temperature drop between the plate surface and an adjacent temperature-controlled water bath. Thermal accommodation measurements were determined from the pressure dependence of the heat flux for a fixed plate separation. Measurements of argon and nitrogen in contact with standard machined (lathed) or polished 304 stainless steel plates are indistinguishable within experimental uncertainty. Thus, the accommodation coefficient of 304 stainless steel with nitrogen and argon is estimated to be 0.80 {+-} 0.02 and 0.87 {+-} 0.02, respectively, independent of the surface roughness within the range likely to be encountered in engineering practice. Measurements of the accommodation of helium showed a slight variation with 304 stainless steel surface roughness: 0.36 {+-} 0.02 for a standard machine finish and 0.40 {+-} 0.02 for a polished finish. Planned tests with carbon-nanotube-coated plates will be performed when 304 stainless-steel blanks have been successfully coated.

  18. Habitability sleep accommodations

    NASA Technical Reports Server (NTRS)

    Fisher, H. T.

    1985-01-01

    Schematic outlines are presented with various design requirements for the accommodation of the spacecrew of Space Stations. The primary concern is for sleeping accommodations. Some other general requirements given are for a rest place, entertainment, dressing area, personal item stowage, body restraint, total privacy, external viewing, and grooming provisions. Several plans are given for sleep quarters concepts.

  19. Intermediate energy proton stopping power for hydrogen molecules and monoatomic helium gas

    NASA Technical Reports Server (NTRS)

    Xu, Y. J.; Khandelwal, G. S.; Wilson, J. W.

    1984-01-01

    Stopping power in the intermediate energy region (100 keV to 1 MeV) was investigated, based on the work of Lindhard and Winther, and on the local plasma model. The theory is applied to calculate stopping power of hydrogen molecules and helium gas for protons of energy ranging from 100 keV to 2.5 MeV. Agreement with the experimental data is found to be within 10 percent.

  20. Chemically accurate energy barriers of small gas molecules moving through hexagonal water rings.

    PubMed

    Hjertenæs, Eirik; Trinh, Thuat T; Koch, Henrik

    2016-07-21

    We present chemically accurate potential energy curves of CH4, CO2 and H2 moving through hexagonal water rings, calculated by CCSD(T)/aug-cc-pVTZ with counterpoise correction. The barriers are extracted from a potential energy surface obtained by allowing the water ring to expand while the gas molecule diffuses through. State-of-the-art XC-functionals are evaluated against the CCSD(T) potential energy surface. PMID:27345929

  1. The gas phase origin of complex organic molecules precursors in prestellar cores

    NASA Astrophysics Data System (ADS)

    Bacmann, A.; Faure, A.

    2016-05-01

    Complex organic molecules (COMs) have long been observed in the warm regions surrounding nascent protostars. The recent discovery of oxygen-bearing COMs like methyl formate or dimethyl ether in prestellar cores (Bacmann et al. [2]), where gas and dust temperatures rarely exceed 10-15 K, has challenged the previously accepted models according to which COM formation relied on the diffusion of heavy radicals on warm (˜30 K) grains. Following these detections, new questions have arisen: do non-thermal processes play a role in increasing radical mobility or should new gas-phase routes be explored? The radicals involved in the formation of the aforementioned COMs, HCO and CH3O represent intermediate species in the grain-surface synthesis of methanol which proceeds via successive hydrogenations of CO molecules in the ice. We present here observations of methanol and its grain-surface precursors HCO, H2CO, CH3O in a sample of prestellar cores and derive their relative abundances. We find that the relative abundances HCO:H2CO:CH3O:CH3OH are constant across the core sample, close to 10:100:1:100. Our results also show that the amounts of HCO and CH3O are consistent with a gas-phase synthesis of these species from H2CO and CH3OH via radical-neutral or ion-molecule reactions followed by dissociative recombinations. Thus, while grain chemistry is necessary to explain the abundances of the parent volatile CH3OH, and possibly H2CO, the reactive species HCO and CH3O might be daughter molecules directly produced in the gas-phase.

  2. Rotational relaxation of fluoromethane molecules in low-temperature collisions with buffer-gas helium

    NASA Astrophysics Data System (ADS)

    Li, Xingjia; Xu, Liang; Yin, Yanning; Xu, Supeng; Xia, Yong; Yin, Jianping

    2016-06-01

    We propose a method to study the rotational relaxation of polar molecules [here taking fluoromethane (CH3F ) as an example] in collisions with 3.5 K buffer-gas helium (He) atoms by using an electrostatic guiding technique. The dependence of the guiding signal of CH3F on the injected He flux and the dependence of the guiding efficiency of CH3F on its rotational temperature are investigated both theoretically and experimentally. By comparing the experimental and simulated results, we find that the translational and rotational temperatures of the buffer-gas cooled CH3F molecules can reach to about 5.48 and 0.60 K, respectively, and the ratio between the translational and average rotational collisional cross sections of CH3F -He is γ =σt/σr=36.49 ±6.15 . In addition, the slowing, cooling, and boosting effects of the molecular beam with different injected He fluxes are also observed and their forming conditions are investigated in some detail. Our study shows that our proposed method can not only be used to measure the translational and rotational temperatures of the buffer-gas cooled molecules, but also to measure the ratio of the translational collisional cross section to the average rotational collisional cross section, and even to measure the average rotational collisional cross section when the translational collisional cross section is measured by fitting the lifetime of molecule signal to get a numerical solution from the diffusion equation of buffer-gas He atoms in the cell.

  3. Small hydrocarbon molecules in cloud-forming brown dwarf and giant gas planet atmospheres

    NASA Astrophysics Data System (ADS)

    Bilger, C.; Rimmer, P.; Helling, Ch.

    2013-11-01

    We study the abundances of complex carbon-bearing molecules in the oxygen-rich dust-forming atmospheres of brown dwarfs and giant gas planets. The inner atmospheric regions that form the inner boundary for thermochemical gas-phase models are investigated. Results from DRIFT-PHOENIX atmosphere simulations, which include the feedback of phase-non-equilibrium dust cloud formation on the atmospheric structure and the gas-phase abundances, are utilized. The resulting element depletion leads to a shift in the carbon-to-oxygen ratio such that several hydrocarbon molecules and cyanopolyyne molecules can be present. An increase in surface gravity and/or a decrease in metallicity support the increase in the partial pressures of these species. CO, CO2, CH4 and HCN contain the largest fraction of carbon. In the upper atmosphere of low-metallicity objects, more carbon is contained in C4H than in CO, and also CH3 and C2H2 play an increasingly important role as carbon sink. We determine chemical relaxation time-scales to evaluate if hydrocarbon molecules can be affected by transport-induced quenching. Our results suggest that a considerable amount of C2H6 and C2H2 could be expected in the upper atmospheres not only of giant gas planets, but also of brown dwarfs. However, the exact quenching height strongly depends on the data source used. These results will have an impact on future thermokinetic studies, as they change the inner boundary condition for those simulations.

  4. Gas phase reactions of CH(3)(+) with a series of homo- and heterocyclic molecules.

    PubMed

    Fondren, L Dalila; Adams, Nigel G; Stavish, Leah

    2009-01-22

    In gas phase ion chemistry, the growth of larger molecules is known to occur through association of ions and neutrals. Where the ion attaches to the neutral is important because it can influence the possibility of additional associations, effectively enabling or terminating further molecular growth. This was investigated by using a Selected Ion Flow Tube (SIFT) at 300 K to study the reactions of CH(3)(+) with the following series of single-ring homocyclic and heterocyclic molecules: benzene (C(6)H(6)), cyclohexane (C(6)H(12)), pyridine (C(5)H(5)N), pyrimidine (C(4)H(4)N(2)), piperidine (C(5)H(11)N), 1,4-dioxane (C(4)H(8)O(2)), furan (C(4)H(4)O), pyrrole (C(4)H(5)N), and pyrrolidine (C(4)H(9)N). Most of the reactions, except for 1,4-dioxane, pyrrole, and pyrrolidine, proceed at the gas kinetic rate. In the ion product distributions, charge transfer, hydride ion abstraction, proton transfer, fragmentation, and association were observed. In particular, proton transfer is seen to be small in all cases even though these channels are energetically favorable. Association is appreciable when the molecules are aromatic (except for furan) and nonexistent when there are no pi electrons in the ring. CH(3)(+) ions are an important intermediate in molecular synthesis in interstellar clouds and in the Titan ionosphere and ring molecules have also been detected in these media. The significance of the studied reactions to these media is discussed. PMID:19090756

  5. Formation of complex organic molecules in cold objects: the role of gas-phase reactions

    NASA Astrophysics Data System (ADS)

    Balucani, Nadia; Ceccarelli, Cecilia; Taquet, Vianney

    2015-04-01

    While astrochemical models are successful in reproducing many of the observed interstellar species, they have been struggling to explain the observed abundances of complex organic molecules. Current models tend to privilege grain surface over gas-phase chemistry in their formation. One key assumption of those models is that radicals trapped in the grain mantles gain mobility and react on lukewarm ( ≳ 30 K) dust grains. Thus, the recent detections of methyl formate (MF) and dimethyl ether (DME) in cold objects represent a challenge and may clarify the respective role of grain-surface and gas-phase chemistry. We propose here a new model to form DME and MF with gas-phase reactions in cold environments, where DME is the precursor of MF via an efficient reaction overlooked by previous models. Furthermore, methoxy, a precursor of DME, is also synthesized in the gas phase from methanol, which is desorbed by a non-thermal process from the ices. Our new model reproduces fairly well the observations towards L1544. It also explains, in a natural way, the observed correlation between DME and MF. We conclude that gas-phase reactions are major actors in the formation of MF, DME and methoxy in cold gas. This challenges the exclusive role of grain-surface chemistry and favours a combined grain-gas chemistry.

  6. Ultrafast electron diffraction from laser-aligned molecules in the gas phase

    NASA Astrophysics Data System (ADS)

    Yang, Jie

    Ultrafast electron diffraction has emerged since the end of last century, and has become an increasingly important tool for revealing great details of molecular dynamics. In comparison to spectroscopic techniques, ultrafast electron diffraction directly probes time-resolved structure of target molecules, and therefore can potentially provide "molecular movies" of the reactions being studied. These molecular movies are critical for understanding and ultimately controlling the energy conversion pathways and efficiencies of photochemical processes. In this dissertation, I have focused on ultrafast electron diffraction from gas-phase molecules, and have investigated several long-standing challenges that have been preventing researchers from being able to achieve 3-D molecular movies of photochemical reactions. The first challenge is to resolve the full 3-D structure for molecules in the gas phase. The random orientation of molecules in the gas phase smears out the diffraction signal, which results in only 1-D structural information being accessible. The second challenge lies in temporal resolution. In order to resolve coherent nuclear motions on their natural time scale, a temporal resolution of ˜200 femtosecond or better is required. However, due to experimental limitations the shortest temporal resolution that had been achieved was only a few picoseconds in early 2000, by Zewail group from Caltech. The first challenge is tackled by laser-alignment. In the first half of the dissertation, I approach this method both theoretically and experimentally, and demonstrate that by using a short laser pulse to transiently align target molecules in space, 3-D molecular structure can be reconstructed ab-initio from diffraction patterns. The second half of the dissertation presents two experiments, both of which are important steps toward imaging coherent nuclear motions in real time during photochemical reactions. The first experiment simultaneously resolves molecular alignment

  7. Production of a Quantum Gas of Rovibronic Ground-State Molecules in AN Optical Lattice

    NASA Astrophysics Data System (ADS)

    Danzl, Johann G.; Mark, Manfred J.; Haller, Elmar; Gustavsson, Mattias; Hart, Russell; Nägerl, Hanns-Christoph

    2010-02-01

    Recent years have seen tremendous progress in the field of cold and ultracold molecules. A central goal in the field is currently the realization of stable rovibronic ground-state molecular samples in the regime of quantum degeneracy, e.g. in the form of molecular Bose-Einstein condensates, molecular degenerate Fermi gases, or, when an optical lattice is present, molecular Mott-insulator phases. However, molecular samples are not readily cooled to the extremely low temperatures at which quantum degeneracy occurs. In particular, laser cooling, the 'workhorse' for the field of atomic quantum gases, is generally not applicable to molecular samples. Here we take an important step beyond previous work1 and provide details on the realization of an ultracold quantum gas of ground-state dimer molecules trapped in an optical lattice as recently reported in Ref. 2. We demonstrate full control over all internal and external quantum degrees of freedom for the ground-state molecules by deterministically preparing the molecules in a single quantum state, i.e. in a specific hyperfine sublevel of the rovibronic ground state, while the molecules are trapped in the motional ground state of the individual lattice wells. We circumvent the problem of cooling by associating weakly-bound molecules out of a zero-temperature atomic Mott-insulator state and by transferring these to the absolute ground state in a four-photon STIRAP process. Our preparation procedure directly leads to a long-lived, lattice-trapped molecular many-body state, which we expect to form the platform for many of the envisioned future experiments with molecular quantum gases, e.g. on precision molecular spectroscopy, quantum information science, and dipolar quantum systems.

  8. Reactions of metal cluster anions with inorganic and organic molecules in the gas phase.

    PubMed

    Zhao, Yan-Xia; Liu, Qing-Yu; Zhang, Mei-Qi; He, Sheng-Gui

    2016-07-28

    The study of gas phase ion-molecule reactions by state-of-the-art mass spectrometric experiments in conjunction with quantum chemistry calculations offers an opportunity to clarify the elementary steps and mechanistic details of bond activation and conversion processes. In the past few decades, a considerable number of publications have been devoted to the ion-molecule reactions of metal clusters, the experimentally and theoretically tractable models for the active phase of condensed phase systems. The focus of this perspective concerns progress on activation and transformation of important inorganic and organic molecules by negatively charged metal clusters. The metal cluster anions cover bare metal clusters as well as ligated systems with oxygen, carbon, and nitrogen, among others. The following important issues have been summarized and discussed: (i) dependence of chemical reactivity and selectivity on cluster structures and sizes, metals and metal oxidation states, odd-even electron numbers, etc. and (ii) effects of doping, ligation, and pre-adsorption on the reactivity of metal clusters toward rather inert molecules. PMID:27346242

  9. A flexible metal–organic framework: Guest molecules controlled dynamic gas adsorption

    DOE PAGESBeta

    Mahurin, Shannon Mark; Li, Man -Rong; Wang, Hailong; Lu, Zhengliang; Chen, Banglin; Dai, Sheng; Yue, Yanfeng; Rabone, Jeremy A.; Liu, Hongjun; Wang, Jihang; et al

    2015-04-13

    A flexible metal–organic framework (MOF) of [Zn3(btca)2(OH)2]·(guest)n (H2btca = 1,2,3-benzotriazole-5-carboxylic acid) that exhibits guest molecule-controlled dynamic gas adsorption is reported in which carbon dioxide molecules rather than N2, He, and Ar induce a structural transition with a corresponding appearance of additional steps in the isotherms. Physical insights into the dynamic adsorption behaviors of flexible compound 1 were detected by gas adsorption at different temperatures and different pressures and confirmed by Fourier transform infrared spectroscopy and molecular simulations. Interestingly, by taking advantage of the flexible nature inherent to the framework, this MOF material enables highly selective adsorption of CO2/N2, CO2/Ar, andmore » CO2/He of 36.3, 32.6, and 35.9, respectively, at 298 K. Furthermore, this class of flexible MOFs has potential applications for controlled release, molecular sensing, noble gas separation, smart membranes, and nanotechnological devices.« less

  10. A flexible metal–organic framework: Guest molecules controlled dynamic gas adsorption

    SciTech Connect

    Mahurin, Shannon Mark; Li, Man -Rong; Wang, Hailong; Lu, Zhengliang; Chen, Banglin; Dai, Sheng; Yue, Yanfeng; Rabone, Jeremy A.; Liu, Hongjun; Wang, Jihang; Fang, Youxing

    2015-04-13

    A flexible metal–organic framework (MOF) of [Zn3(btca)2(OH)2]·(guest)n (H2btca = 1,2,3-benzotriazole-5-carboxylic acid) that exhibits guest molecule-controlled dynamic gas adsorption is reported in which carbon dioxide molecules rather than N2, He, and Ar induce a structural transition with a corresponding appearance of additional steps in the isotherms. Physical insights into the dynamic adsorption behaviors of flexible compound 1 were detected by gas adsorption at different temperatures and different pressures and confirmed by Fourier transform infrared spectroscopy and molecular simulations. Interestingly, by taking advantage of the flexible nature inherent to the framework, this MOF material enables highly selective adsorption of CO2/N2, CO2/Ar, and CO2/He of 36.3, 32.6, and 35.9, respectively, at 298 K. Furthermore, this class of flexible MOFs has potential applications for controlled release, molecular sensing, noble gas separation, smart membranes, and nanotechnological devices.

  11. Accurate proton affinity and gas-phase basicity values for molecules important in biocatalysis

    PubMed Central

    Moser, Adam; Range, Kevin; York, Darrin M.

    2010-01-01

    Benchmark quantum calculations of proton affinities and gas phase basicities of molecules relevant to biochemical processes, particulsarly acid/base catalysis, are presented and compared for a variety of multi-level and density-functional quantum models. Included are nucleic acid bases in both keto and enol tautomeric forms, ribose in B-form and A-form sugar pucker conformations, amino acid side chains and backbone molecules, and various phosphates and phosphoranes including thio substitutions. This work presents a high-level thermodynamic characterization of biologically relevant protonation states, and provides a benchmark database for development of next-generation semiempirical and approximate density-functional quantum models, and parameterization of methods to predict pKa values and relative solvation energies. PMID:20942500

  12. Polaron-molecule transitions in a two-dimensional Fermi gas

    SciTech Connect

    Parish, Meera M.

    2011-05-15

    We address the problem of a single 'spin-down' impurity atom interacting attractively with a spin-up Fermi gas in two dimensions (2D). We consider the case where the mass of the impurity is greater than or equal to the mass of a spin-up fermion. Using a variational approach, we resolve the questions raised by previous studies and show that there is, in fact, a transition between polaron and molecule (dimer) ground states in 2D. For the molecule state, we use a variational wave function with a single particle-hole excitation on the Fermi sea and we find that its energy matches that of the exact solution in the limit of infinite impurity mass. Thus, we expect the variational approach to provide a reliable tool for investigating 2D systems.

  13. The Buffer-Gas Positron Accumulator and Resonances in Positron-Molecule Interactions

    NASA Technical Reports Server (NTRS)

    Surko, C.M.

    2007-01-01

    This is a personal account of the development of our buffer-gas positron trap and the new generation of cold beams that these traps enabled. Dick Drachman provided much appreciated advice to us from the time we started the project. The physics underlying trap operation is related to resonances (or apparent resonances) in positron-molecule interactions. Amusingly, experiments enabled by the trap allowed us to understand these processes. The positron-resonance "box score" to date is one resounding "yes," namely vibrational Feshbach resonances in positron annihilation on hydrocarbons; a "probably" for positron-impact electronic excitation of CO and NZ;an d a "maybe" for vibrational excitation of selected molecules. Two of these processes enabled the efficient operation of the trap, and one almost killed it in infancy. We conclude with a brief overview of further applications of the trapping technology discussed here, such as "massive" positron storage and beams with meV energy resolution.

  14. Intermediate energy proton stopping power for hydrogen molecules and monoatomic helium gas

    NASA Technical Reports Server (NTRS)

    Xu, Y. J.; Khandelwal, G. S.; Wilson, J. W.

    1984-01-01

    Stopping power in the intermediate energy region (100 keV to 1 MeV) was investigated, based on the work of Lindhard and Winther, and on the local plasma model. The theory is applied to calculate stopping power of hydrogen molecules and helium gas for protons of energy ranging from 100 keV to 2.5 MeV. Agreement with the experimental data is found to be within 10 percent. Previously announced in STAR as N84-16955

  15. Rationally designed micropores within a metal-organic framework for selective sorption of gas molecules.

    PubMed

    Chen, Banglin; Ma, Shengqian; Zapata, Fatima; Fronczek, Frank R; Lobkovsky, Emil B; Zhou, Hong-Cai

    2007-02-19

    A microporous metal-organic framework, MOF, Cu(FMA)(4,4'-Bpe)0.5 (3a, FMA = fumarate; 4,4'-Bpe = 4,4'-Bpe = trans-bis(4-pyridyl)ethylene) was rationally designed from a primitive cubic net whose pores are tuned by double framework interpenetration. With pore cavities of about 3.6 A, which are interconnected by pore windows of 2.0 x 3.2 A, 3a shows highly selective sorption behaviors of gas molecules. PMID:17291116

  16. Laser-driven rotational dynamics of gas-phase molecules: Control and applications

    NASA Astrophysics Data System (ADS)

    Ren, Xiaoming

    In this thesis, our work on developing new techniques to measure and enhance field-free molecular alignment and orientation is described. Non-resonant femtosecond laser pulses are used to align and orient rotationally-cold gas-phase molecules. The time-dependent Schrodinger equation is solved to simulate the experimental results. A single-shot kHz velocity map imaging (VMI) spectrometer is developed for characterizing 1D and 3D alignment. Stimulated by a novel metric for 3D alignment proposed by Makhija et al. [Phys. Rev. A 85,033425 (2012)], a multi-pulse scheme to improve 3D alignment is demonstrated experimentally on difluoro-iodobenzene molecules and the best field-free 3D alignment is achieved. A degenerate four wave mixing probe is developed to overcome limitations in VMI measurement; experiments on different types of molecules show good agreement with computational results. Highly aligned linear molecules are used for high harmonic generation experiments. Due to the high degree of alignment, fractional revivals, variation of revival structure with harmonic order and the shape resonance and Cooper minimum in the photoionization cross section of molecular nitrogen are all observed directly in experiment for the first time. Enhanced orientation from rotationally cold heteronuclear molecules is also demonstrated. We follow the theory developed by Zhang et al. [Phys. Rev. A 83, 043410 (2011)] and demonstrate experimentally for the first time that for rotationally cold carbon monoxide an aligning laser pulse followed by a two-color laser pulse can increase field-free orientation level by almost a factor of three compared to using just the two-color pulse.

  17. Properties of clusters in the gas phase. V - Complexes of neutral molecules onto negative ions

    NASA Technical Reports Server (NTRS)

    Keesee, R. G.; Lee, N.; Castleman, A. W., Jr.

    1980-01-01

    Ion-molecules association reactions of the form A(-)(B)n-1 + B = A(-)(B)n were studied over a range of temperatures in the gas phase using high pressure mass spectrometry. Enthalpy and entropy changes were determined for the stepwise clustering reactions of (1) sulfur dioxide onto Cl(-), I(-), and NO2(-) with n ranging from one to three or four, and onto SO2(-) and SO3(-) with n equal to one; and (2) carbon dioxide onto Cl(-), I(-), NO2(-), CO3(-), and SO3(-) with n equal to one. From these data and earlier hydration results, the order of the magnitude of the enthalpy changes on the association of the first neutral for a series of negative ions was found to parallel the gas-phase basicity of those anions.

  18. Monte Carlo calculations of diatomic molecule gas flows including rotational mode excitation

    NASA Technical Reports Server (NTRS)

    Yoshikawa, K. K.; Itikawa, Y.

    1976-01-01

    The direct simulation Monte Carlo method was used to solve the Boltzmann equation for flows of an internally excited nonequilibrium gas, namely, of rotationally excited homonuclear diatomic nitrogen. The semi-classical transition probability model of Itikawa was investigated for its ability to simulate flow fields far from equilibrium. The behavior of diatomic nitrogen was examined for several different nonequilibrium initial states that are subjected to uniform mean flow without boundary interactions. A sample of 1000 model molecules was observed as the gas relaxed to a steady state starting from three specified initial states. The initial states considered are: (1) complete equilibrium, (2) nonequilibrium, equipartition (all rotational energy states are assigned the mean energy level obtained at equilibrium with a Boltzmann distribution at the translational temperature), and (3) nonequipartition (the mean rotational energy is different from the equilibrium mean value with respect to the translational energy states). In all cases investigated the present model satisfactorily simulated the principal features of the relaxation effects in nonequilibrium flow of diatomic molecules.

  19. The study of excited oxygen molecule gas species production and quenching on thermal protection system materials

    NASA Technical Reports Server (NTRS)

    Nordine, Paul C.; Fujimoto, Gordon T.; Greene, Frank T.

    1987-01-01

    The detection of excited oxygen and ozone molecules formed by surface catalyzed oxygen atom recombination and reaction was investigated by laser induced fluorescence (LIF), molecular beam mass spectrometric (MBMS), and field ionization (FI) techniques. The experiment used partially dissociated oxygen flows from a microwave discharge at pressures in the range from 60 to 400 Pa or from an inductively coupled RF discharge at atmospheric pressure. The catalyst materials investigated were nickel and the reaction cured glass coating used for Space Shuttle reusable surface insulation tiles. Nonradiative loss processes for the laser excited states makes LIF detection of O2 difficult such that formation of excited oxygen molecules could not be detected in the flow from the microwave discharge or in the gaseous products of atom loss on nickel. MBMS experiments showed that ozone was a product of heterogeneous O atom loss on nickel and tile surfaces at low temperatures and that ozone is lost on these materials at elevated temperatures. FI was separately investigated as a method by which excited oxygen molecules may be conveniently detected. Partial O2 dissociation decreases the current produced by FI of the gas.

  20. Gas-phase ion/molecule reactions of corannulene, a fullerene subunit

    SciTech Connect

    Becker, H.; Schwarz, H. ); Javahery, G.; Petrie, S.; Bohme, D.K. ); Cheng, P.C.; Scott, L.T. )

    1993-12-01

    Corannulene is intriguing, not only because of its highly-strained bowl-like structure, but also as a subunit of C[sub 60] and other fullerenes. The carbon skeleton of corannulene appears several times in C[sub 60], and its curvature mimics the curvature of C[sub 60]. Inspired by this curiosity, and having previously investigated ion/molecule reactions of C[sub 60] cations, we began an unprecedented experimental investigation of ion/molecule reactions of corannulene. Here we report the first observations of gas-phase ion/molecule reactions with corannulene: reactions of the corannulene cation (cor[sup [sm bullet]+]) with C[sub 60] and of neutral corannulene with Ar[sup [sm bullet]+], cor[sup [sm bullet]+], C[sub 60][sup [sm bullet]+], C[sub 60][sup 2+], and C[sub 60][sup [sm bullet]3+]. Both electronic and topographical features are expected to be of consequence in many of these reactions. 22 refs., 1 tab.

  1. Adsorption of gas molecules on Cu impurities embedded monolayer MoS2: A first- principles study

    NASA Astrophysics Data System (ADS)

    Zhao, B.; Li, C. Y.; Liu, L. L.; Zhou, B.; Zhang, Q. K.; Chen, Z. Q.; Tang, Z.

    2016-09-01

    Adsorption of small gas molecules (O2, NO, NO2 and NH3) on transition-metal Cu atom embedded monolayer MoS2 was investigated by first-principles calculations based on the density-functional theory (DFT). The embedded Cu atom is strongly constrained on the sulfur vacancy of monolayer MoS2 with a high diffusion barrier. The stable adsorption geometry, charge transfer and electronic structures of these gas molecules on monolayer MoS2 embedded with transition-metal Cu atom are discussed in detail. It is found that the monolayer MoS2 with embedded Cu atom can effectively capture these gas molecules with high adsorption energy. The NH3 molecule acts as electron donor after adsorption, which is different from the other gas molecules (O2, NO, and NO2). The results suggest that MoS2-Cu system may be promising for future applications in gas molecules sensing and catalysis, which is similar to those of the transition-metal embedded graphene.

  2. Influence of the presence of small gas molecules in the structure of comblike polyacrylates: a Monte Carlo study.

    PubMed

    León, Salvador; Zanuy, David; Alemán, Carlos

    2002-05-01

    A theoretical strategy has been developed to study the motion of small molecules through ordered polymeric systems. The strategy, which has been incorporated into a computer program denoted MCDP/2, is especially useful to study comblike polymers organized in biphasic arrangements. This is because it is based on a configurational bias Monte Carlo algorithm, which is more efficient than conventional methods to study dense systems. The MCDP/2 program has been used to investigate the influence of CH(4) and CO(2) gas molecules in the structure of isotactic poly(octadecyl acrylate), a typical comblike polymer. For this purpose, the pure polymer and different molecular systems constituted by several gas molecules dissolved in the polymer matrix have been simulated. Results indicated that the structural relaxation of the polymer is not coupled to the motion of gas molecules. The importance of these results in the field of molecular modeling of transport properties in comblike polymers is discussed. PMID:11948586

  3. Accommodating Picky Palates

    ERIC Educational Resources Information Center

    Lum, Lydia

    2007-01-01

    Healthy gourmet offerings are fast becoming the norm at college dining halls around the country. At a time when the children of Baby Boomers are hitting higher education in record numbers, college officials have scrambled to accommodate their picky palates and their insistence for healthier meals than were served to past generations. At the same…

  4. Student Perspectives on Academic Accommodations

    ERIC Educational Resources Information Center

    Baker, Diana; Scanlon, David

    2016-01-01

    The active involvement of secondary school students with high-incidence disabilities (HI) in instructional accommodations is essential to both enacting the accommodations and to the accommodations effectiveness. Very little is known about students with HI's knowledge about instructional accommodations, experiences with them, or opinions on…

  5. Interaction of gas molecules with crystalline polymer separation membranes: Atomic-scale modeling and first-principles calculations

    SciTech Connect

    Sergey N. Rashkeev; Eric S. Peterson

    2011-11-01

    Carbon dioxide (CO2)-induced plasticization can significantly decrease the gas separation performance of membranes in high-temperature or high pressure conditions, such as industrial methane (CH4) separations. In this paper, we investigated the crystalline phase of three polymers (polybenzimidazole (PBI), Bis(isobutylcarboxy)polybenzimidazole (PBI-Butyl), and KaptonTM) and interactions between gas molecules (CO2 and N2) and these polymers. A novel, molecular dynamics (MD) based, computational technique was employed to find unknown crystalline structures of these polymer materials. The interaction of CO2 and N2 gases with these crystals was studied by first-principles calculations and by classical MD simulations. The results showed that the packing structure and the interlayer coupling in polymer crystals determine the permeability and diffusivity of gas molecules. This methodology also allows prediction of plastic swelling in these materials caused by gas molecules absorbed in the polymer matrix.

  6. Gas molecule scattering & ion mobility measurements for organic macro-ions in He versus N2 environments.

    PubMed

    Larriba-Andaluz, Carlos; Fernández-García, Juan; Ewing, Michael A; Hogan, Christopher J; Clemmer, David E

    2015-06-14

    A pending issue in linking ion mobility measurements to ion structures is that the collisional cross section (CCS, the measured structural parameter in ion mobility spectrometry) of an ion is strongly dependent upon the manner in which gas molecules effectively impinge on and are reemitted from ion surfaces (when modeling ions as fixed structures). To directly examine the gas molecule impingement and reemission processes and their influence, we measured the CCSs of positively charged ions of room temperature ionic liquids 1-ethyl-3-methylimidazolium dicyanamide (EMIM-N(CN)2) and 1-ethyl-3-methylimidazolium tetrafluoroborate (EMIM-BF4) in N2 using a differential mobility analyzer-mass spectrometer (DMA-MS) and in He using a drift tube mobility spectrometer-mass spectrometer (DT-MS). Cluster ions, generated via electrosprays, took the form (AB)N(A)z, spanning up to z = 20 and with masses greater than 100 kDa. As confirmed by molecular dynamics simulations, at the measurement temperature (∼300 K), such cluster ions took on globular conformations in the gas phase. Based upon their attained charge levels, in neither He nor N2 did the ion-induced dipole potential significantly influence gas molecule-ion collisions. Therefore, differences in the CCSs measured for ions in the two different gases could be primarily attributed to differences in gas molecule behavior upon collision with ions. Overwhelmingly, by comparison of predicted CCSs with selected input impingement-reemission laws to measurements, we find that in N2, gas molecules collide with ions diffusely--they are reemitted at random angles relative to the gas molecule incoming angle--and inelastically. Meanwhile, in He, gas molecules collide specularly and elastically and are emitted from ion surfaces at determined angles. The results can be rationalized on the basis of the momentum transferred per collision; in the case of He, individual gas molecule collisions minimally perturb the atoms within a cluster ion

  7. Viking B complex gets new accommodations platform

    SciTech Connect

    Not Available

    1992-05-04

    This paper reports that a new accommodation platform in the Viking gas field, operated by Conoco (U.K.) Ltd. in the southern North SEa, was commissioned January 10. The new facility is equipped with the first freefall lifeboats to enter service in the U.K. offshore oil and gas industry, the Conoco. The platform is linked to the other three Viking B platforms by a 65 m bridge. The other platforms are where drilling, production, and compression activities occur. As well as accommodating up to 56 people on the new platform, it also contains a monitoring and control station, plant and switchgear rooms, fire pumps, and a loading bay. The project cost {Brit pounds}18 million and required 14 months from design to commissioning. It included building and installing a new jacket and deck and moving existing accommodation module and helideck from their previous location on the Viking BD to the new BA.

  8. Markedly different adsorption behaviors of gas molecules on defective monolayer MoS2: a first-principles study.

    PubMed

    Li, Hongxing; Huang, Min; Cao, Gengyu

    2016-06-01

    Sulfur vacancy (SV) is one of the most typical defects in two-dimensional monolayer MoS2, leading to reactive sites. We presented a systematic study of the adsorption behaviors of gas molecules, CO2, N2, H2O, CO, NH3, NO, O2, H2 and NO2, on monolayer MoS2 with single SV by first-principles calculations. It was found that CO2, N2 and H2O molecules physisorbed at the proximity of single SV. Our adsorption energy calculations and charge transfer analysis showed that the interactions between CO2, N2 and H2O molecules and defective MoS2 are stronger than the cases of CO2, N2 and H2O molecules adsorbed on pristine MoS2, respectively. The defective MoS2 based gas sensors may be more sensitive to CO2, N2 and H2O molecules than pristine MoS2 based ones. CO, NO, O2 and NH3 molecules were found to chemisorb at the S vacancy site and thus modify the electronic properties of defective monolayer MoS2. Magnetism was induced upon adsorption of NO molecules and the defective states induced by S vacancy can be completely removed upon adsorption of O2 molecules, which may provide some helpful information for designing new MoS2 based nanoelectronic devices in future. The H2 and NO2 molecules were found to dissociate at S vacancy. The dissociation of NO2 molecules resulted in O atoms located at the S vacancy site and NO molecules physisorbed on O-doped MoS2. The calculated results showed that NO2 molecules can help heal the S vacancy of the MoS2 monolayer. PMID:27198064

  9. Fixation by active accommodation

    NASA Astrophysics Data System (ADS)

    Pahlavan, Kourosh; Uhlin, Tomas; Eklundh, Jan-Olof

    1992-11-01

    The field of computer vision has long been interested in disparity as the cue for the correspondence between stereo images. The other cue to correspondence, blur, and the fact that vergence is a combination of the two processes, accommodative vergence and disparity vergence, have not been equally appreciated. Following the methodology of active vision that allows the observer to control all his visual parameters, it is quite natural to take advantage of the powerful combination of these two processes. In this article, we try to elucidate such an integration and briefly analyze the cooperation and competition between accommodative vergence and disparity vergence on one hand and disparity and blur stimuli on the other hand. The human fixation mechanism is used as a guide-line and some virtues of this mechanism are used to implement a model for vergence in isolation. Finally, some experimental results are reported.

  10. The physical basis for absorption of light. [effects on wave functions of gas molecules and atoms

    NASA Technical Reports Server (NTRS)

    Pickett, H. M.

    1979-01-01

    The effects of light absorption on the wave functions of gas-phase molecules and atoms are investigated by high resolution spectral measurements of radiation emerging from a sample. A Stark-modulated sample of methyl fluoride was irradiated at the 102 GHz rotational transition and the emergent radiation was resolved by means of a spectrum analyzer. For signal oscillator frequencies below or above the molecular resonance by one modulation frequency, the amplitudes of the upper and lower modulation sidebands are found to be of nonuniform intensity, which is inconsistent with amplitude modulation. Emission due to polarization is, however, calculated to be consistent with the results observed, indicating that light absorption should be considered as a subtractive stimulated emission.

  11. NMR dynamics of quantum discord for spin-carrying gas molecules in a closed nanopore

    SciTech Connect

    Yurishchev, M. A.

    2014-11-15

    A local orthogonal transformation that transforms any centrosymmetric density matrix of a two-qubit system to the X form has been found. A piecewise-analytic-numerical formula Q = min(Q{sub π/2}, Q{sub θ}, Q{sub 0}), where Q{sub π/2} and Q{sub 0} are analytical expressions and the branch Q{sub 0θ} can be obtained only by numerically searching for the optimal measurement angle θ ∈ (0, π/2), is proposed to calculate the quantum discord Q of a general X state. The developed approaches have been applied for a quantitative description of the recently predicted flickering (periodic disappearance and reappearance) of the quantum-information pair correlation between nuclear 1/2 spins of atoms or molecules of a gas (for example, {sup 129}Xe) in a bounded volume in the presence of a strong magnetic field.

  12. Generation, Detection and characterization of Gas-Phase Transition Metal containing Molecules

    SciTech Connect

    Steimle, Timothy

    2015-12-15

    The objective of this project was to generate, detect, and characterize small, gas-phase, metal containing molecules. In addition to being relevant to high temperature chemical environments (e.g. plasmas and combustion), gas-phase experiments on metal containing molecules serve as the most direct link to a molecular-level theoretical model for catalysis. Catalysis (i.e. the addition of a small about of recoverable material to control the rate and direction of a chemical reaction) is critical to the petroleum and pharmaceutical industries as well as environmental remediation. Currently, the majority of catalytic materials are based on very expensive metals such as platinum (Pt), palladium (Pd), iridium (Ir,) rhenium (Re), and rhodium (Rh). For example, the catalyst used for converting linear hydrocarbon molecules (e.g. hexane) to cyclic molecules (e.g. cyclohexane) is a mixture of Pt and Re suspended on alumina. It enables straight chain alkanes to be converted into branched-chain alkanes, cyclohexanes and aromatic hydrocarbons which are used, amongst other things, to enhance the octane number of petrol. A second example is the heterogeneous catalysis used in automobile exhaust systems to: a) decrease nitrogen oxide; b) reduce carbon monoxide; and c) oxidize unburned hydrocarbons. The exhaust is vented through a high-surface area chamber lined with Pt, Pd, and Rh. For example, the carbon monoxide is catalytically converted to carbon dioxide by reaction with oxygen. The research results from this work have been published in readily accessible journals1-28. The ground and excited electronic state properties of small metal containing molecules that we determine were: a) electronic state distributions and lifetimes, b) vibrational frequencies, c) bond lengths and angles, d) hyperfine interactions, e) permanent electric dipole moments, mel, and f) magnetic dipoles, μm. In general terms, μel, gives insight into the charge distribution and mm into

  13. First-principles investigation of armchair boron nitride nanoribbons for sensing PH3 gas molecules

    NASA Astrophysics Data System (ADS)

    Srivastava, Pankaj; Jaiswal, Neeraj K.; Sharma, Varun

    2014-09-01

    The present work exhibits density functional theory (DFT) based first-principles calculations to explore the sensing properties of bare armchair boron nitride nanoribbons (ABNNR) for PH3 gas molecules. Edges of the ribbon were considered as the sites of possible adsorption with two different configurations i.e. adsorption at one edge and adsorption at both edges of the ribbon. It is revealed that B atoms of the ribbons are more energetically favorable sites for the adsorption of PH3 molecules as compared with N atoms. The adsorption of PH3 affects the electronic properties of nanoribbons. One edge PH3 adsorbed ribbons are metallic whereas in both edges PH3 adsorption, the band gap is decreased than that of bare ribbon. The changes in electronic properties caused by PH3 adsorption are further supported by the current-voltage (I-V) characteristics of the considered configurations. The results show that ABNNR can serve as a potential candidate for PH3 sensing applications.

  14. Does Moisture Influence the Chemical Detection of Gas Molecules Adsorbed on Single-Wall Carbon Nanotubes?

    NASA Astrophysics Data System (ADS)

    Yu, Ming; Tian, W. Q.; Jayanthi, C. S.; Wu, S. Y.

    2009-03-01

    In this work, the role of water in the detection of hydrazine (N2H4) by a single-wall carbon nanotube (SWCNT) is investigated using first principles electronic structure calculations (DFT/GGA--USPP)[1]. This calculation is undertaken to interpret the experimental resistivity measurements for N2H4 adsorbed on SWCNT that reveal an n-type behavior [2]. Our preliminary theoretical studies of the adsorption of N2H4 on SWCNT revealed physisorption for N2H4 and an unaltered band structure for the SWCNT [3]. This prompted us to look into the role of water on the bonding of N2H4 to the SWCNT. We found that, by introducing a monolayer of water film on the (8,0) SWCNT, the adsorption of N2H4 can introduce occupied states near the Fermi level, exhibiting an n-type behavior. However, the introduction of just few water molecules was not sufficient to influence the electronic structure of N2H4/SWCNT. Presently, we are studying the influence of water films on the chemical detection of a variety of other gas molecules (N2, NH3, etc.) by SWCNTs, and the results from such studies will also be reported. [1]. G. Kresse et al. Phys. Rev. B 54, 11169 (1996). [2]. S. Desai, et al. (APS, March 2008). [3]. M. Yu, et al. (APS, March 2008).

  15. Adsorption of gas molecules on transition metal embedded graphene: a search for high-performance graphene-based catalysts and gas sensors

    NASA Astrophysics Data System (ADS)

    Zhou, Miao; Lu, Yun-Hao; Cai, Yong-Qing; Zhang, Chun; Feng, Yuan-Ping

    2011-09-01

    We report an investigation on the adsorption of small gas molecules (O2, CO, NO2 and NH3) on pristine and various transition metal embedded graphene samples using a first-principles approach based on density-functional theory (DFT). The most stable adsorption geometry, energy, charge transfer, and magnetic moment of these molecules on graphene embedded with different transition metal elements are thoroughly discussed. Our calculations found that embedded transition metal elements in general can significantly enhance the interactions between gas molecules and graphene, and for applications of graphene-based catalysis, Ti and Au may be the best choices among all transition metal elements. We also expect a detailed analysis of the electronic structures and magnetic properties of these systems to shed light on future applications of graphene-based gas sensing and spintronics.

  16. Detection of the Elusive Triazane Molecule (N3 H5 ) in the Gas Phase.

    PubMed

    Förstel, Marko; Maksyutenko, Pavlo; Jones, Brant M; Sun, Bing-Jian; Chen, Shih-Hua; Chang, Agnes H-H; Kaiser, Ralf I

    2015-10-26

    We report the detection of triazane (N3 H5 ) in the gas phase. Triazane is a higher order nitrogen hydride of ammonia (NH3 ) and hydrazine (N2 H4 ) of fundamental importance for the understanding of the stability of single-bonded chains of nitrogen atoms and a potential key intermediate in hydrogen-nitrogen chemistry. The experimental results along with electronic-structure calculations reveal that triazane presents a stable molecule with a nitrogen-nitrogen bond length that is a few picometers shorter than that of hydrazine and has a lifetime exceeding 6±2 μs at a sublimation temperature of 170 K. Triazane was synthesized through irradiation of ammonia ice with energetic electrons and was detected in the gas phase upon sublimation of the ice through soft vacuum ultraviolet (VUV) photoionization coupled with a reflectron-time-of-flight mass spectrometer. Isotopic substitution experiments exploiting [D3 ]-ammonia ice confirmed the identification through the detection of its fully deuterated counterpart [D5 ]-triazane (N3 D5 ). PMID:26331382

  17. Efficiency of excimer molecule formation in plasma jets of inert gas mixtures with SF6 and CCl4

    NASA Astrophysics Data System (ADS)

    Rogulich, V. S.; Starodub, V. P.; Shevera, V. S.

    1988-10-01

    The formation of krypton and xenon monofluorides and monochlorides in continuous plasma jets of inert gas mixtures with SF6 and CCl4 molecules is investigated experimentally. Absolute concentrations of KrF, XeF, KrCl, and XeCl excimer molecules in the jet are determined. The energy efficiency of specific input power conversion to the spontaneous B-X emission in the KrF band is estimated at 2-4 percent. Ways of increasing the concentration of excimer molecules in the plasma jet are analyzed.

  18. Accommodation and antibodies.

    PubMed

    Dehoux, Jean-Paul; Gianello, Pierre

    2009-06-01

    Accommodation refers to the condition in which an organ transplant functions normally by acquiring resistance to immune-mediated injury (especially), despite the presence of anti-transplant antibodies in the recipient. This status is associated with several modifications in the recipient as well as in the graft, such as previous depletion of anti-graft antibodies and their slow return once the graft is placed; expression of several protective genes in the graft; a Th2 immune response in the recipient; and inhibition of the membrane attack complex of complement. PMID:18973811

  19. Ion-Molecule Reaction of Gas-Phase Chromium Oxyanions: CrxOyHz- + H2O

    SciTech Connect

    Gianotto, Anita Kay; Hodges, Brittany DM; Benson, Michael Timothy; Harrington, Peter Boves; Appelhans, Anthony David; Olson, John Eric; Groenewold, Gary Steven

    2003-08-01

    Chromium oxyanions having the general formula CrxOyHz- play a key role in many industrial, environmental, and analytical processes, which motivated investigations of their intrinsic reactivity. Reactions with water are perhaps the most significant, and were studied by generating CrxOyHz- in the gas phase using a quadrupole ion trap secondary ion mass spectrometer. Of the ions in the Cr1OyHz envelope (y = 2, 3, 4; z = 0, 1), only CrO2- was observed to react with H2O, producing the hydrated CrO3H2- at a slow rate (~0.07% of the ion-molecule collision constant at 310 K). CrO3-, CrO4-, and CrO4H- were unreactive. In contrast, Cr2O4-, Cr2O5-, and Cr2O5H2- displayed a considerable tendency to react with H2O. Cr2O4- underwent sequential reactions with H2O, initially producing Cr2O5H2- at a rate that was ~7% efficient. Cr2O5H2- then reacted with a second H2O by addition to form Cr2O6H4- (1.8% efficient) and by OH abstraction to form Cr2O6H3- (0.6% efficient). The reactions of Cr2O5- were similar to those of Cr2O5H2-: Cr2O5- underwent addition to form Cr2O6H2- (3% efficient) and OH abstraction to form Cr2O6H- (<1% efficient). By comparison, Cr2O6- was unreactive with H2O, and in fact, no further H2O addition could be observed for any of the Cr2O6Hz- anions. Hartree-Fock ab initio calculations showed that reactive CrxOyHz- species underwent nucleophilic attack by the incoming H2O molecules, which produced an initially formed adduct in which the water O was bound to a Cr center. The experimental and computational studies suggested that Cr2OyHz- species that have bi- or tricoordinated Cr centers are susceptible to attack by H2O; however, when the metal becomes tetracoordinate, reactivity stops. For the Cr2OyHz- anions the lowest energy structures all contained rhombic Cr2O2 rings with pendant O atoms and/or OH groups. The initially formed [Cr2Oy- + H2O] adducts underwent H rearrangement to a gem O atom to produce stable dihydroxy structures. The calculations indicated that

  20. Visual accommodation trainer-tester

    NASA Technical Reports Server (NTRS)

    Randle, R. J., Jr. (Inventor)

    1983-01-01

    An apparatus for training of the human visual accommodation system is presented, specifically, useful for training a person to volitionally control his focus to his far point (normaly infinity) from a position of myopia due to functional causes. The functional causes could be due, for example, to a behavioral accommodative spasm or the effects of an empty field. The device may also be used to measure accommodation, the accommodation resting position and the near and far points of vision.

  1. Metastable BrO2+ and NBr2+ molecules in the gas phase

    NASA Astrophysics Data System (ADS)

    Aoto, Yuri Alexandre; de Oliveira-Filho, Antonio Gustavo S.; Franzreb, Klaus; Ornellas, Fernando R.

    2011-03-01

    The doubly positively charged gas-phase molecules BrO2+ and NBr2+ have been produced by prolonged high-current energetic oxygen (17 keV 16O-) ion surface bombardment (ion beam sputtering) of rubidium bromide (RbBr) and of ammonium bromide (NH4Br) powdered ionic salt samples, respectively, pressed into indium foil. These novel species were observed at half-integer m/z values in positive ion mass spectra for ion flight times of roughly ˜12 μs through a magnetic-sector secondary ion mass spectrometer. Here we present these experimental results and combine them with a detailed theoretical investigation using high level ab initio calculations of the ground states of BrO2+ and NBr2+, and a manifold of excited electronic states. NBr2+ and BrO2+, in their ground states, are long-lived metastable gas-phase molecules with well depths of 2.73 × 104 cm-1 (3.38 eV) and 1.62 × 104 cm-1 (2.01 eV); their fragmentation channels into two monocations lie 2.31 × 103 cm-1 (0.29 eV) and 2.14 × 104 cm-1 (2.65 eV) below the ground state minimum. The calculated lifetimes for NBr2+ (v″ < 35) and BrO2+ (v″ < 18) are large enough to be considered stable against tunneling. For NBr2+, we predicted Re = 3.051 a0 and ωe = 984 cm-1; for BrO2+, we obtained 3.033 a0 and 916 cm-1, respectively. The adiabatic double ionization energies of BrO and NBr to form metastable BrO2+ and NBr2+ are calculated to be 30.73 and 29.08 eV, respectively. The effect of spin-orbit interactions on the low-lying (Λ + S) states is also discussed.

  2. Potential interstellar noble gas molecules: ArOH+ and NeOH+ rovibrational analysis from quantum chemical quartic force fields

    NASA Astrophysics Data System (ADS)

    Theis, Riley A.; Fortenberry, Ryan C.

    2016-03-01

    The discovery of ArH+ in the interstellar medium has shown that noble gas chemistry may be of more chemical significance than previously believed. The present work extends the known chemistry of small noble gas molecules to NeOH+ and ArOH+. Besides their respective neonium and argonium diatomic cation cousins, these hydroxyl cation molecules are the most stable small noble gas molecules analyzed of late. ArOH+ is once again more stable than the neon cation, but both are well-behaved enough for a complete quartic force field analysis of their rovibrational properties. The Ar-O bond in ArOH+ , for instance, is roughly three-quarters of the strength of the Ar-H bond in ArH+ highlighting the rigidity of this system. The rotational constants, geometries, and vibrational frequencies for both molecules and their various isotopologues are computed from ab initio quantum chemical theory at high-level, and it is shown that these cations may form in regions where peroxy or weakly-bound alcohols may be present. The resulting data should be of significant assistance for the laboratory or observational analysis of these potential interstellar molecules.

  3. Excitation and dissociation of molecules by femtosecond IR laser radiation in the gas phase and on dielectric surfaces

    SciTech Connect

    Kompanets, V O; Laptev, Vladimir B; Makarov, Aleksandr A; Pigulskii, S V; Ryabov, Evgenii A; Chekalin, Sergei V

    2013-04-30

    This paper presents an overview of early studies and new experimental data on the effect of near-IR (0.8-1.8 {mu}m) and mid-IR (3.3-5.8 {mu}m) intense femtosecond (130-350 fs) laser pulses on polyatomic molecules in the gas phase and on the surface of substrates. We examine the vibrational dynamics of nine molecules containing a C=O chromophore group, which are initiated by resonance femtosecond IR laser radiation at a wavelength of {approx}5 {mu}m, and report measured characteristic times of intramolecular vibrational redistribution. The characteristic time of molecules containing a single C=O group lies in the range 2.4-20 ps and that of the Fe(CO){sub 5} and Cr(CO){sub 6} molecules lies in the nanosecond range ({approx}1.0 and {approx}1.5 ns, respectively). Carbon structures have been observed for the first time to result from the decomposition of (CF{sub 3}){sub 2}CCO molecules on the surface of metal fluorides under the effect of femtosecond IR laser radiation in the wavelength range 3.3-5.4 {mu}m with no gas-phase decomposition of the molecules. (extreme light fields and their applications)

  4. Role of interspecies interactions in the preparation of a low-entropy gas of polar molecules in a lattice

    NASA Astrophysics Data System (ADS)

    Safavi-Naini, A.; Wall, M. L.; Rey, A. M.

    2015-12-01

    The preparation of a quantum degenerate gas of heteronuclear molecules has been an outstanding challenge. We use path-integral quantum Monte Carlo simulations to understand the role of interactions and finite temperature effects in the protocol currently employed to adiabatically prepare a low-entropy gas of polar molecules in a lattice starting from an ultracold Bose-Fermi mixture. We find that interspecies interactions affect the final temperature of the mixture after the adiabatic loading procedure and detrimentally limit the molecular peak filling. Our conclusions are in agreement with recent experimental measurements [Moses et al., Science 350, 659 (2015), 10.1126/science.aac6400] and therefore are of immediate relevance for the myriad experiments that aim to form molecules from dual-species atomic gases.

  5. Three new defined proton affinities for polybasic molecules in the gas-phase: Proton microaffinity, proton macroaffinity and proton overallaffinity

    NASA Astrophysics Data System (ADS)

    Salehzadeh, Sadegh; Bayat, Mehdi

    2006-08-01

    A theoretical study on complete protonation of a series of tetrabasic molecules with general formula N[(CH 2) nNH 2][(CH 2) mNH 2][(CH 2) pNH 2] (tren, pee, ppe, tpt, epb and ppb) is reported. For first time, three kinds of gas-phase proton affinities for each polybasic molecule are defined as: 'proton microaffinity (PA n, i)', 'proton macroaffinity (PA)' and 'proton overall affinity ( PA)'. The variations of calculated logPA in the series of these molecules is very similar to that of their measured log Kn. There is also a good correlation between the calculated gas-phase proton macroaffinities and proton overallaffinities with corresponding equilibrium macroconstants and overall protonation constants in solution.

  6. Collision lifetimes of polyatomic molecules at low temperatures: Benzene–benzene vs benzene–rare gas atom collisions

    SciTech Connect

    Cui, Jie; Krems, Roman V.; Li, Zhiying

    2014-10-28

    We use classical trajectory calculations to study the effects of the interaction strength and the geometry of rigid polyatomic molecules on the formation of long-lived collision complexes at low collision energies. We first compare the results of the calculations for collisions of benzene molecules with rare gas atoms He, Ne, Ar, Kr, and Xe. The comparison illustrates that the mean lifetimes of the collision complexes increase monotonically with the strength of the atom–molecule interaction. We then compare the results of the atom–benzene calculations with those for benzene–benzene collisions. The comparison illustrates that the mean lifetimes of the benzene–benzene collision complexes are significantly reduced due to non-ergodic effects prohibiting the molecules from sampling the entire configuration space. We find that the thermally averaged lifetimes of the benzene–benzene collisions are much shorter than those for Xe with benzene and similar to those for Ne with benzene.

  7. Tracking all-vapor instant gas-hydrate formation and guest molecule populations: a possible probe for molecules trapped in water nanodroplets.

    PubMed

    Uras-Aytemiz, Nevin; Cwiklik, Lukasz; Paul Devlin, J

    2012-11-28

    Quantitative Fourier-transform infrared spectra for low-temperature (160-200 K) aerosols of clathrate-hydrate nanoparticles that contain large-cage catalysts and small-cage nonpolar guests have been extended to a broad range of vapor compositions and sampling conditions. The data better reveal the stages by which room-temperature vapor mixtures, when cooled below ∼220 K, instantly generate aerosols with particles composed exclusively of the corresponding clathrate hydrates. In particular the quantitative data help relate the nature of the hydrates that form to the composition of the aqueous nanodroplets of the first stages of the rapid transition from the all-vapor mixture. The overall transition from an all-vapor mixture to "gas"-hydrate nanocrystals is a multistage one that has been characterized as homogeneous nucleation and growth of solution nanodroplets (∼240 K) followed by nucleation and growth of the gas-hydrate particles (∼220 K); all occurring within a subsecond that follows pulsing of the warm vapor into a sampling cold chamber. This may serve well as a general description of the instantaneous generation of the gas-hydrate aerosols, but closer consideration of the nature of the sampling method, in context with recent computation-based insights to (a) gas-hydrate nucleation stages∕rates and (b) the lifetimes of trapped small nonpolar molecules in cold aqueous nanodroplets, suggests a more complex multistage transition. The simulated lifetimes and extensive new quantitative infrared data significantly broaden the knowledge base in which the instantaneous transition from vapor to crystalline hydrate particles is viewed. The apparent need for a high occupancy of large-cage catalytic guest molecules currently limits the practical value of the all-vapor method. Only through greater clarity in the molecular-level description of the transition will the ultimate limits be defined. PMID:23206013

  8. Tracking all-vapor instant gas-hydrate formation and guest molecule populations: A possible probe for molecules trapped in water nanodroplets

    NASA Astrophysics Data System (ADS)

    Uras-Aytemiz, Nevin; Cwiklik, Lukasz; Paul Devlin, J.

    2012-11-01

    Quantitative Fourier-transform infrared spectra for low-temperature (160-200 K) aerosols of clathrate-hydrate nanoparticles that contain large-cage catalysts and small-cage nonpolar guests have been extended to a broad range of vapor compositions and sampling conditions. The data better reveal the stages by which room-temperature vapor mixtures, when cooled below ˜220 K, instantly generate aerosols with particles composed exclusively of the corresponding clathrate hydrates. In particular the quantitative data help relate the nature of the hydrates that form to the composition of the aqueous nanodroplets of the first stages of the rapid transition from the all-vapor mixture. The overall transition from an all-vapor mixture to "gas"-hydrate nanocrystals is a multistage one that has been characterized as homogeneous nucleation and growth of solution nanodroplets (˜240 K) followed by nucleation and growth of the gas-hydrate particles (˜220 K); all occurring within a subsecond that follows pulsing of the warm vapor into a sampling cold chamber. This may serve well as a general description of the instantaneous generation of the gas-hydrate aerosols, but closer consideration of the nature of the sampling method, in context with recent computation-based insights to (a) gas-hydrate nucleation stages/rates and (b) the lifetimes of trapped small nonpolar molecules in cold aqueous nanodroplets, suggests a more complex multistage transition. The simulated lifetimes and extensive new quantitative infrared data significantly broaden the knowledge base in which the instantaneous transition from vapor to crystalline hydrate particles is viewed. The apparent need for a high occupancy of large-cage catalytic guest molecules currently limits the practical value of the all-vapor method. Only through greater clarity in the molecular-level description of the transition will the ultimate limits be defined.

  9. Absolute configuration assignment of a chiral molecule in the gas phase using foil-induced Coulomb explosion imaging

    NASA Astrophysics Data System (ADS)

    Herwig, Philipp; Zawatzky, Kerstin; Schwalm, Dirk; Grieser, Manfred; Heber, Oded; Jordon-Thaden, Brandon; Krantz, Claude; Novotný, Oldřich; Repnow, Roland; Schurig, Volker; Vager, Zeev; Wolf, Andreas; Trapp, Oliver; Kreckel, Holger

    2014-11-01

    Chiral molecules exist in two configurations that are nonsuperposable mirror images of one another. The underlying molecular structure is referred to as the absolute configuration. In chiral environments, the handedness of molecules influences their chemical characteristics dramatically, and therefore the determination of absolute configurations is of fundamental interest in organic chemistry and biology. Commonly applied techniques to assign absolute configuration are anomalous single-crystal x-ray diffraction and vibrational circular dichroism. However, these techniques become increasingly more challenging when applied to molecules that are made out of light atoms exclusively. Furthermore, there is no established method to determine the absolute handedness of gas-phase molecules that are not optically active. In this work, we apply the foil-induced Coulomb explosion imaging technique to determine directly the absolute configuration of the chiral molecule trans-2,3-dideuterooxirane (C2OD2H2) in the gas phase. The experiment leads to the definitive assignment of the (R ,R ) configuration to an enantio-selected dideuterooxirane sample with a statistical confidence of 5 σ . As the handedness of trans-2,3-dideuterooxirane is unambiguously linked by chemical synthesis to the stereochemical key reference glyceraldehyde, our results provide an independent verification of the absolute configuration of the stereochemical reference standard.

  10. Mechanism of charge transfer and its impacts on Fermi-level pinning for gas molecules adsorbed on monolayer WS2.

    PubMed

    Zhou, Changjie; Yang, Weihuang; Zhu, Huili

    2015-06-01

    Density functional theory calculations were performed to assess changes in the geometric and electronic structures of monolayer WS2 upon adsorption of various gas molecules (H2, O2, H2O, NH3, NO, NO2, and CO). The most stable configuration of the adsorbed molecules, the adsorption energy, and the degree of charge transfer between adsorbate and substrate were determined. All evaluated molecules were physisorbed on monolayer WS2 with a low degree of charge transfer and accept charge from the monolayer, except for NH3, which is a charge donor. Band structure calculations showed that the valence and conduction bands of monolayer WS2 are not significantly altered upon adsorption of H2, H2O, NH3, and CO, whereas the lowest unoccupied molecular orbitals of O2, NO, and NO2 are pinned around the Fermi-level when these molecules are adsorbed on monolayer WS2. The phenomenon of Fermi-level pinning was discussed in light of the traditional and orbital mixing charge transfer theories. The impacts of the charge transfer mechanism on Fermi-level pinning were confirmed for the gas molecules adsorbed on monolayer WS2. The proposed mechanism governing Fermi-level pinning is applicable to the systems of adsorbates on recently developed two-dimensional materials, such as graphene and transition metal dichalcogenides. PMID:26049513

  11. Retinal Image Quality During Accommodation

    PubMed Central

    López-Gil, N.; Martin, J.; Liu, T.; Bradley, A.; Díaz-Muñoz, D.; Thibos, L.

    2013-01-01

    Purpose We asked if retinal image quality is maximum during accommodation, or sub-optimal due to accommodative error, when subjects perform an acuity task. Methods Subjects viewed a monochromatic (552nm), high-contrast letter target placed at various viewing distances. Wavefront aberrations of the accommodating eye were measured near the endpoint of an acuity staircase paradigm. Refractive state, defined as the optimum target vergence for maximising retinal image quality, was computed by through-focus wavefront analysis to find the power of the virtual correcting lens that maximizes visual Strehl ratio. Results Despite changes in ocular aberrations and pupil size during binocular viewing, retinal image quality and visual acuity typically remain high for all target vergences. When accommodative errors lead to sub-optimal retinal image quality, acuity and measured image quality both decline. However, the effect of accommodation errors of on visual acuity are mitigated by pupillary constriction associated with accommodation and binocular convergence and also to binocular summation of dissimilar retinal image blur. Under monocular viewing conditions some subjects displayed significant accommodative lag that reduced visual performance, an effect that was exacerbated by pharmacological dilation of the pupil. Conclusions Spurious measurement of accommodative error can be avoided when the image quality metric used to determine refractive state is compatible with the focusing criteria used by the visual system to control accommodation. Real focusing errors of the accommodating eye do not necessarily produce a reliably measurable loss of image quality or clinically significant loss of visual performance, probably because of increased depth-of-focus due to pupil constriction. When retinal image quality is close to maximum achievable (given the eye’s higher-order aberrations), acuity is also near maximum. A combination of accommodative lag, reduced image quality, and reduced

  12. Pulse gas chromatographic study of adsorption of substituted aromatics and heterocyclic molecules on MIL-47 at zero coverage.

    PubMed

    Duerinck, Tim; Couck, Sarah; Vermoortele, Frederik; De Vos, Dirk E; Baron, Gino V; Denayer, Joeri F M

    2012-10-01

    The low coverage adsorptive properties of the MIL-47 metal organic framework toward aromatic and heterocyclic molecules are reported in this paper. The effect of molecular functionality and size on Henry adsorption constants and adsorption enthalpies of alkyl and heteroatom functionalized benzene derivates and heterocyclic molecules was studied using pulse gas chromatography. By means of statistical analysis, experimental data was analyzed and modeled using principal component analysis and partial least-squares regression. Structure-property relationships were established, revealing and confirming several trends. Among the molecular properties governing the adsorption process, vapor pressure, mean polarizability, and dipole moment play a determining role. PMID:22958218

  13. Mass accommodation of water: bridging the gap between molecular dynamics simulations and kinetic condensation models.

    PubMed

    Julin, Jan; Shiraiwa, Manabu; Miles, Rachael E H; Reid, Jonathan P; Pöschl, Ulrich; Riipinen, Ilona

    2013-01-17

    The condensational growth of submicrometer aerosol particles to climate relevant sizes is sensitive to their ability to accommodate vapor molecules, which is described by the mass accommodation coefficient. However, the underlying processes are not yet fully understood. We have simulated the mass accommodation and evaporation processes of water using molecular dynamics, and the results are compared to the condensation equations derived from the kinetic gas theory to shed light on the compatibility of the two. Molecular dynamics simulations were performed for a planar TIP4P-Ew water surface at four temperatures in the range 268-300 K as well as two droplets, with radii of 1.92 and 4.14 nm at T = 273.15 K. The evaporation flux from molecular dynamics was found to be in good qualitative agreement with that predicted by the simple kinetic condensation equations. Water droplet growth was also modeled with the kinetic multilayer model KM-GAP of Shiraiwa et al. [Atmos. Chem. Phys. 2012, 12, 2777]. It was found that, due to the fast transport across the interface, the growth of a pure water droplet is controlled by gas phase diffusion. These facts indicate that the simple kinetic treatment is sufficient in describing pure water condensation and evaporation. The droplet size was found to have minimal effect on the value of the mass accommodation coefficient. The mass accommodation coefficient was found to be unity (within 0.004) for all studied surfaces, which is in agreement with previous simulation work. Additionally, the simulated evaporation fluxes imply that the evaporation coefficient is also unity. Comparing the evaporation rates of the mass accommodation and evaporation simulations indicated that the high collision flux, corresponding to high supersaturation, present in typical molecular dynamics mass accommodation simulations can under certain conditions lead to an increase in the evaporation rate. Consequently, in such situations the mass accommodation coefficient

  14. Mass Accommodation of Water: Bridging the Gap Between Molecular Dynamics Simulations and Kinetic Condensation Models

    PubMed Central

    2012-01-01

    The condensational growth of submicrometer aerosol particles to climate relevant sizes is sensitive to their ability to accommodate vapor molecules, which is described by the mass accommodation coefficient. However, the underlying processes are not yet fully understood. We have simulated the mass accommodation and evaporation processes of water using molecular dynamics, and the results are compared to the condensation equations derived from the kinetic gas theory to shed light on the compatibility of the two. Molecular dynamics simulations were performed for a planar TIP4P-Ew water surface at four temperatures in the range 268–300 K as well as two droplets, with radii of 1.92 and 4.14 nm at T = 273.15 K. The evaporation flux from molecular dynamics was found to be in good qualitative agreement with that predicted by the simple kinetic condensation equations. Water droplet growth was also modeled with the kinetic multilayer model KM-GAP of Shiraiwa et al. [Atmos. Chem. Phys.2012, 117, 2777]. It was found that, due to the fast transport across the interface, the growth of a pure water droplet is controlled by gas phase diffusion. These facts indicate that the simple kinetic treatment is sufficient in describing pure water condensation and evaporation. The droplet size was found to have minimal effect on the value of the mass accommodation coefficient. The mass accommodation coefficient was found to be unity (within 0.004) for all studied surfaces, which is in agreement with previous simulation work. Additionally, the simulated evaporation fluxes imply that the evaporation coefficient is also unity. Comparing the evaporation rates of the mass accommodation and evaporation simulations indicated that the high collision flux, corresponding to high supersaturation, present in typical molecular dynamics mass accommodation simulations can under certain conditions lead to an increase in the evaporation rate. Consequently, in such situations the mass accommodation

  15. The Accommodation Operation. Accommodation Management Module. Operational Management Programme.

    ERIC Educational Resources Information Center

    Chapman, Janet

    This module on accommodation operation is intended to help supervisors or managers achieve a balance in the day-to-day running of the premises and plan for a smooth and successful future. Much of the material is concerned with the housekeeping aspects of accommodation management. The material is presented in a self-instructional format in seven…

  16. Diffusion, thermalization, and optical pumping of YbF molecules in a cold buffer-gas cell

    NASA Astrophysics Data System (ADS)

    Skoff, S. M.; Hendricks, R. J.; Sinclair, C. D. J.; Hudson, J. J.; Segal, D. M.; Sauer, B. E.; Hinds, E. A.; Tarbutt, M. R.

    2011-02-01

    We produce YbF molecules with a density of 1018 m-3 using laser ablation inside a cryogenically cooled cell filled with a helium buffer gas. Using absorption imaging and absorption spectroscopy we study the formation, diffusion, thermalization, and optical pumping of the molecules. The absorption images show an initial rapid expansion of molecules away from the ablation target followed by a much slower diffusion to the cell walls. We study how the time constant for diffusion depends on the helium density and temperature and obtain values for the YbF-He diffusion cross section at two different temperatures. We measure the translational and rotational temperatures of the molecules as a function of time since formation, obtain the characteristic time constant for the molecules to thermalize with the cell walls, and elucidate the process responsible for limiting this thermalization rate. Finally, we make a detailed study of how the absorption of the probe laser saturates as its intensity increases, showing that the saturation intensity is proportional to the helium density. We use this to estimate collision rates and the density of molecules in the cell.

  17. Spectral Luminescent Properties of the Glycine Molecule in a Gas Discharge

    NASA Astrophysics Data System (ADS)

    General, A. A.; Migovich, M. I.; Kelman, V. A.; Zhmenyak, Yu. V.; Zvenigorodsky, V. V.

    2016-01-01

    We have experimentally studied the luminescence spectra of glycine powder in the plasma of a repetitively pulsed longitudinal discharge in argon-glycine and helium-glycine mixtures. We have identified the main fragments of the glycine molecule emitting in the 200-1000 nm region. The emitting molecules due to fragmentation of glycine and dissociation of the carboxyl (-COOH) and amino (-NH2) groups are nitrogen, carbon monoxide, and cyanogen molecules.

  18. Calculation of Ground State Rotational Populations for Kinetic Gas Homonuclear Diatomic Molecules including Electron-Impact Excitation and Wall Collisions

    SciTech Connect

    David R. Farley

    2010-08-19

    A model has been developed to calculate the ground-state rotational populations of homonuclear diatomic molecules in kinetic gases, including the effects of electron-impact excitation, wall collisions, and gas feed rate. The equations are exact within the accuracy of the cross sections used and of the assumed equilibrating effect of wall collisions. It is found that the inflow of feed gas and equilibrating wall collisions can significantly affect the rotational distribution in competition with non-equilibrating electron-impact effects. The resulting steady-state rotational distributions are generally Boltzmann for N≥3, with a rotational temperature between the wall and feed gas temperatures. The N=0,1,2 rotational level populations depend sensitively on the relative rates of electron-impact excitation versus wall collision and gas feed rates.

  19. Hot-Wire Chemical Vapor Deposition Of Polycrystalline Silicon : From Gas Molecule To Solar Cell

    NASA Astrophysics Data System (ADS)

    van Veenendaal, P. A. T. T.

    2002-10-01

    Although the effort to investigate the use of renewable energy sources, such as wind and solar energy, has increased, their contribution to the total energy consumption remains insignificant. The conversion of solar energy into electricity through solar cells is one of the most promising techniques, but the use of these cells is limited by the high cost of electricity. The major contributions to these costs are the material and manufacturing costs. Over the past decades, the development of silicon based thin film solar cells has received much attention, because the fabrication costs are low. A promising material for use in thin film solar cells is polycrystalline silicon (poly-Si:H). A relatively new technique to deposit poly-Si:H is Hot-Wire Chemical Vapor Deposition (Hot-Wire CVD), in which the reactant gases are catalytically decomposed at the surface of a hot filament, mainly tungsten and tantalum. The main advantages of Hot-Wire CVD over PE-CVD are absence of ion bombardment, high deposition rate, low equipment cost and high gas utilization. This thesis deals with the full spectrum of deposition, characterization and application of poly-Si:H thin films, i.e. from gas molecule to solar cell. Studies on the decomposition of silane on the filament showed that the process is catalytic of nature and that silane is decomposed into Si and 4H. The dominant gas phase reaction is the reaction of Si and H with silane, resulting in SiH3, Si2H6, Si3H6 and H2SiSiH2. The film growth precursors are Si, SiH3 and Si2H4. Also, XPS results on used tantalum and tungsten filaments are discussed. The position dependent measurements show larger silicon contents at the ends of the tungsten filament, as compared to the middle, due to a lower filament temperature. This effect is insignificant for a tantalum filament. Deposition time dependent measurements show an increase in silicon content of the tungsten filament with time, while the silicon content on the tantalum filament saturates

  20. Updating of ASME Nuclear Code Case N-201 to Accommodate the Needs of Metallic Core Support Structures for High Temperature Gas Cooled Reactors Currently in Development

    SciTech Connect

    Mit Basol; John F. Kielb; John F. MuHooly; Kobus Smit

    2007-05-02

    On September 29, 2005, ASME Standards Technology, LLC (ASME ST-LLC) executed a multi-year, cooperative agreement with the United States DOE for the Generation IV Reactor Materials project. The project's objective is to update and expand appropriate materials, construction, and design codes for application in future Generation IV nuclear reactor systems that operate at elevated temperatures. Task 4 was embarked upon in recognition of the large quantity of ongoing reactor designs utilizing high temperature technology. Since Code Case N-201 had not seen a significant revision (except for a minor revision in September, 2006 to change the SA-336 forging reference for 304SS and 316SS to SA-965 in Tables 1.2(a) and 1.2(b), and some minor editorial changes) since December 1994, identifying recommended updates to support the current high temperature Core Support Structure (CSS) designs and potential new designs was important. As anticipated, the Task 4 effort identified a number of Code Case N-201 issues. Items requiring further consideration range from addressing apparent inconsistencies in definitions and certain material properties between CC-N-201 and Subsection NH, to inclusion of additional materials to provide the designer more flexibility of design. Task 4 developed a design parameter survey that requested input from the CSS designers of ongoing high temperature gas cooled reactor metallic core support designs. The responses to the survey provided Task 4 valuable input to identify the design operating parameters and future needs of the CSS designers. Types of materials, metal temperature, time of exposure, design pressure, design life, and fluence levels were included in the Task 4 survey responses. The results of the survey are included in this report. This research proves that additional work must be done to update Code Case N-201. Task 4 activities provide the framework for the Code Case N-201 update and future work to provide input on materials. Candidate

  1. Magnetic-field-induced quadrupole coupling in the nuclear magnetic resonance of noble-gas atoms and molecules

    SciTech Connect

    Manninen, Pekka; Vaara, Juha; Pyykkoe, Pekka

    2004-10-01

    An analytic response theory formulation for the leading-order magnetic field-induced and field-dependent quadrupole splitting in nuclear magnetic resonance spectra is presented and demonstrated with first-principles calculations for {sup 21}Ne, {sup 36}Ar, and {sup 83}Kr in noble gas atoms. The case of molecules was studied for {sup 33}S in the sulphur hexafluoride molecule, as well as for {sup 47/49}Ti, {sup 91}Zr, and {sup 177,179}Hf in group(IV) tetrahalides. According to our calculations, the hitherto experimentally unknown field-induced quadrupole splitting in molecules rises to 10{sup 2} Hz for {sup 177,179}Hf nuclei in HfF{sub 4} and 10{sup 1} Hz for {sup 47/49}Ti in TiCl{sub 4}, and is hence of observable magnitude.

  2. Water Accommodation on Bare and Coated Ice

    NASA Astrophysics Data System (ADS)

    Kong, Xiangrui

    2015-04-01

    A good understanding of water accommodation on ice surfaces is essential for quantitatively predicting the evolution of clouds, and therefore influences the effectiveness of climate models. However, the accommodation coefficient is poorly constrained within the literature where reported values vary by up to three orders of magnitude. In addition, the complexity of the chemical composition of the atmosphere plays an important role in ice phase behavior and dynamics. We employ an environmental molecular beam (EMB) technique to investigate molecular water interactions with bare and impurity coated ice at temperatures from 170 K to 200 K. In this work, we summarize results of water accommodation experiments on bare ice (Kong et al., 2014) and on ice coated by methanol (Thomson et al., 2013), butanol (Thomson et al., 2013) and acetic acid (Papagiannakopoulos et al., 2014), and compare those results with analogous experiments using hexanol and nitric acid coatings. Hexanol is chosen as a complementary chain alcohol to methanol and butanol, while nitric acid is a common inorganic compound in the atmosphere. The results show a strong negative temperature dependence of water accommodation on bare ice, which can be quantitatively described by a precursor model. Acidic adlayers tend to enhance water uptake indicating that the system kinetics are thoroughly changed compared to bare ice. Adsorbed alcohols influence the temperature dependence of the accommodation coefficient and water molecules generally spend less time on the surfaces before desorbing, although the measured accommodation coefficients remain high and comparable to bare ice for the investigated systems. We conclude that impurities can either enhance or restrict water uptake in ways that are influenced by several factors including temperature and type of adsorbant, with potential implications for the description of ice particle growth in the atmosphere. This work was supported by the Swedish Research Council and

  3. Cooperative Reformable Channel System with Unique Recognition of Small Gas Molecules in a two-dimensional ZIF-membrane

    NASA Astrophysics Data System (ADS)

    Motevalli, Benyamin; Taherifar, Neda; Liu, Zhe

    We report a cooperative reformable channel system in a coordination porous polymer, named as ZIF-L. Three types of local flexible ligands coexist in the crystal structure of this polymer, resulting in ultra-flexibility. The reformable channel is able to regulate permeation of a nonspherical guest molecule, such as N2 or CO2, based on its longer molecular dimension, which is in a striking contrast to conventional molecular sieves that regulate the shorter cross-sectional dimension of the guest molecules. Our density functional theory (DFT) calculations reveal that the guest molecule induces dynamic motion of the flexible ligands, leading to the channel reformation, and then the guest molecule reorientates itself to fit in the reformed channel. Such a unique ``induced fit-in'' mechanism causes the gas molecule to pass through 6 membered-ring windows in the c- crystal direction of ZIF-L with its longer axis parallel to the window plane. Our experimental permeance of N2 through the ZIF-L membranes is about three times greater than that of CO2, supporting the DFT simulation predictions.

  4. Carbon Density Is an Indicator of Mass Accommodation Coefficient of Water on Organic-Coated Water Surface.

    PubMed

    Ergin, Gözde; Takahama, Satoshi

    2016-05-12

    The condensational growth of a water droplet follows water vapor accommodation and is described by the mass accommodation coefficient, α. To determine α for droplets coated by straight chain and branched alcohols, we perform molecular dynamics simulations with umbrella sampling and direct impinging. The free energy profiles of water from gas phase to bulk water coated by organic are estimated by the former method. These free energy profiles exhibit a barrier to accommodation in the monolayers containing alcohols with zero and one-level of branching. However, the barrier is not observed for monolayers containing alcohols with two-levels of branching. These profiles and friction coefficients estimated from simulation are used to calculate α from the transition state and Grote-Hynes theory. Results are compared with sticking probabilities estimated from direct impinging simulations, and their differences are interpreted through processes included in each theory. At a low surface coverage of these surface active molecules, the underlying bulk solution is exposed and the resistance to vapor accommodation is reduced. We estimate the carbon density in water surfaces coated by straight-chain alcohols, branched alcohols, and straight-chain fatty acids used in study by Takahama and Russell,1 and show that this quantity is related monotonically to the mass accommodation coefficient. PMID:27089481

  5. Nonverbal Accommodation in Healthcare Communication

    PubMed Central

    D’Agostino, Thomas A.; Bylund, Carma L.

    2016-01-01

    This exploratory study examined patterns of nonverbal accommodation within healthcare interactions and investigated the impact of communication skills training and gender concordance on nonverbal accommodation behavior. The Nonverbal Accommodation Analysis System (NAAS) was used to code the nonverbal behavior of physicians and patients within 45 oncology consultations. Cases were then placed in one of seven categories based on patterns of accommodation observed across the interaction. Results indicated that across all NAAS behavior categories, physician-patient interactions were most frequently categorized as Joint Convergence, followed closely by Asymmetrical-Patient Convergence. Among paraverbal behaviors, talk time, interruption, and pausing were most frequently characterized by Joint Convergence. Among nonverbal behaviors, eye contact, laughing, and gesturing were most frequently categorized as Asymmetrical-Physician Convergence. Differences were predominantly non-significant in terms of accommodation behavior between pre and post-communication skills training interactions. Only gesturing proved significant, with post-communication skills training interactions more likely to be categorized as Joint Convergence or Asymmetrical-Physician Convergence. No differences in accommodation were noted between gender concordant and non-concordant interactions. The importance of accommodation behavior in healthcare communication is considered from a patient-centered care perspective. PMID:24138223

  6. Optically pumped gas laser using electronic transitions in the NaRb molecule

    SciTech Connect

    Kaslin, V.M.; Yakushev, O.F.

    1983-12-01

    Laser superradiance was achieved for the first time as a result of an electronic transition in a diatomic heteronuclear molecule as a result of direct optical pumping. This superradiance was observed in the region of 670 nm due to a transition to the ground state X/sup 1/..sigma../sup +/ of the intermetallic alkali molecule NaRb pumped by radiation from a pulsed copper vapor laser (lambda = 510.6 nm).

  7. A quantum gas of polar KRb molecules in an optical lattice

    NASA Astrophysics Data System (ADS)

    Covey, Jacob; Miecnikowski, Matthew; Moses, Steven; Fu, Zhengkun; Jin, Deborah; Ye, Jun

    2016-05-01

    Ultracold polar molecules provide new opportunities for investigation of strongly correlated many-body spin systems such as many-body localization and quantum magnetism. In an effort to access such phenomena, we load polar KRb molecules into a three-dimensional optical lattice. In this system, we observed many-body spin dynamics between molecules pinned in a deep lattice, even though the filling fraction of the molecules was only 5%. We have recently performed a thorough investigation of the molecule creation process in an optical lattice, and consequently improved our filling fraction to 30% by preparing and overlapping Mott and band insulators of the initial atomic gases. More recently, we switched to a second generation KRb apparatus that will allow application of large, stable electric fields as well as high-resolution addressing and detection of polar molecules in optical lattices. We plan to use these capabilities to study non-equilibrium spin dynamics in an optical lattice with nearly single site resolution. I will present the status and direction of the second generation apparatus.

  8. Formation of Complex Organics by Gas Phase and Intracluster Ion-Molecule Reactions Involving Acetylene and Hydrogen Cyanide

    NASA Astrophysics Data System (ADS)

    El-Shall, S.; Hamed, A.; Soliman, A. R.; Momoh, P. O.

    2011-05-01

    Many complex organics including polycyclic aromatic hydrocarbons are present in flames and combustion processes as well as in interstellar clouds and solar nebulae. Here, we present evidence for the formation of complex covalent organics by gas phase and intracluster reactions of the benzene, phenylium, pyridine, pyrimidine, phenylacetylene and benzonitrile cations with acetylene and hydrogen cyanide molecules. These reactions are studied using mass-selected ion mobility, chemical reactivity, collisional dissociation, and ab initio calculations. Measurements of collision cross sections in helium provide structural information on the adducts and allow probing structural changes at different temperatures (isomerization). We observed multiple additions of five acetylene molecules on the pyridine cation at room temperature. This is a remarkable result considering that only two acetylene molecules were added to the phenyl cation and no addition was observed on the benzene cation at room temperature. The experimental results are in full agreement with the ab initio calculations which predict that the first and second acetylenes add to the pyridine ion in barrierless, highly exothermic reactions. Similar reactions have been observed for the pyrimidine radical cation although the extent of the addition reactions is limited to only two acetylene molecules at room temperature. The results provide the first evidence for the incorporation of nitrogen in the formation cyclic hydrocarbons via the gas phase reactions of pyridine and pyrimidine ions with acetylene molecules. In addition, the formation of covalent adducts in the ionized acetylene/HCN system will be reported for the first time. Sequential reactions leading to the formation of pyridine and pyrimidine radical cations and higher adducts are observed over a wide range of temperature and pressure. The formation of these covalent adducts may represent a general class of addition reactions that can form complex

  9. Anthropometric accommodation in USAF cockpits

    NASA Technical Reports Server (NTRS)

    Zehner, Gregory F.

    1994-01-01

    Over the past three years, a new set of methodologies has been developed to specify and evaluate anthropometric accommodation in USAF crewstation designs. These techniques are used to improve the ability of the pilot to reach controls, to safely escape the aircraft, to achieve adequate mobility and comfort, and to assure full access to the visual field both inside and outside the aircraft. This paper summarized commonly encountered aircraft accommodation problems, explains the failure of the traditional 'percentile man' design concept to resolve these difficulties, and suggests an alternative approach for improving cockpit design to better accommodate today's more heterogeneous flying population.

  10. Creation of an Ultracold Gas of Ground-State Dipolar 23Na 87 Molecules

    NASA Astrophysics Data System (ADS)

    Guo, Mingyang; Zhu, Bing; Lu, Bo; Ye, Xin; Wang, Fudong; Vexiau, Romain; Bouloufa-Maafa, Nadia; Quéméner, Goulven; Dulieu, Olivier; Wang, Dajun

    2016-05-01

    We report the successful production of an ultracold sample of absolute ground-state 23Na 87Rb molecules. Starting from weakly bound Feshbach molecules formed via magnetoassociation, the lowest rovibrational and hyperfine level of the electronic ground state is populated following a high-efficiency and high-resolution two-photon Raman process. The high-purity absolute ground-state samples have up to 8000 molecules and densities of over 1011 cm-3 . By measuring the Stark shifts induced by external electric fields, we determined the permanent electric dipole moment of the absolute ground-state 23Na 87Rb and demonstrated the capability of inducing an effective dipole moment over 1 D. Bimolecular reaction between ground-state 23Na 87Rb molecules is endothermic, but we still observed a rather fast decay of the molecular sample. Our results pave the way toward investigation of ultracold molecular collisions in a fully controlled manner and possibly to quantum gases of ultracold bosonic molecules with strong dipolar interactions.

  11. Polarized fluorescence of polyatomic fragments produced through photodissociation of polyatomic molecules in the gas phase

    NASA Astrophysics Data System (ADS)

    Blokhin, A. P.; Gelin, M. F.; Kalosha, I. I.; Polubisok, S. A.; Tolkachev, V. A.

    1999-01-01

    A combined theoretical and experimental study is carried of the polarized emission of polyatomic products produced through photodissociation of polyatomic molecules. A general approach, based on the formalism of dissociation kernels and orientational correlation functions, is developed to predict anisotropy of the fluorescence of photoproducts. We consider the most general case of asymmetric top parent and product molecules. The rotational predissociation effect is taken into account. Various kinds of photoreactions are studied: those when fragments after dissociation are in the electronically excited states and those when fragments are in the ground electronic states so that additional laser pulse is necessary to excite their fluorescence. Particular attention is concentrated on those practically important extreme cases, when predissociation times and lifetimes of the electronically excited states of photoproducts are short or long as compared to the averaged period of free rotation. The steady state polarized fluorescence of radicals produced through dissociation of several disulfides into two identical radicals is measured. The results are interpreted in the framework of the free recoil model (FRM). In this model, photoproducts are assumed to experience no torque and fly apart freely, so that the only origin of the fragment rotation is rotation of the parent molecule. Predictions of the impulsive model (IM), in which fragments are supposed to suffer instantaneous torque due to the rupture of the chemical bonds of the parent molecule, are demonstrated to disagree strongly with our experimental data. This gives an additional confirmation of the validity of the FRM in describing dissociation of polyatomic molecules into polyatomic fragments. The FRM can therefore be invoked to estimate interrelation between the characteristic times, governing the processes of dissociation and emission, and the averaged period of free molecular rotation. Also, the FRM can be used

  12. Electron swarm parameters in SiH sub 4 -rare gas mixtures and collision cross sections for monosilane molecules

    SciTech Connect

    Kurachi, M.; Nakamura, Y. . Faculty of Science and Technology)

    1991-04-01

    Previously measured drift velocity and longitudinal diffusion coefficient in SiH{sub 4}-Ar mixtures were re-analyzed, and the new vibrational excitation cross sections for monosilane molecules were obtained. Not only were the new cross sections consistent with swarm parameters, but also the ratio of their magnitudes at the resonance peak agreed with recent measurements of the electron beam experiment. Having known the vibrational excitation cross sections, the analysis of the primary ionization coefficient measured in SiH{sub 4}-Kr mixtures led to a consistent inelastic cross section, which possibly corresponds to the total cross section for neutral dissociations for the molecule. In this paper it was confirmed that the derived set of the cross sections also gave good agreement with the electron swarm parameters measured in pure monosilane gas.

  13. Molecule-modulated photoconductivity and gain-amplified selective gas sensing in polar GaN nanowires

    NASA Astrophysics Data System (ADS)

    Chen, R. S.; Lu, C. Y.; Chen, K. H.; Chen, L. C.

    2009-12-01

    We report the strong molecular effects on the surface-dominant photoconductivity with high-gain transport in the polar GaN nanowires. Both the transient and steady-state photocurrents are sensitive and selective to the adsorptions of oxygen and hydrogen. The surface band bending of GaN nanowires is proposed to be effectively reduced or enhanced by oxygen or hydrogen, respectively, as a donorlike or acceptorlike surface state. The molecular effect, corroborated with the high-gain photoresponse nature of GaN nanowires is found to amplify the molecule-selective photocurrent signal by near three orders of magnitude higher than its counterpart in dark current. The molecule-tunable photoconductivity, as demonstrated here, would benefit a variety of applications, ranging from the high-gain optoelectronic devices, photoelectric energy transducer, as well as gas and chemical sensors.

  14. The role of multiparticle correlations and Cooper pairing in the formation of molecules in an ultracold gas of Fermi atoms with a negative scattering length

    SciTech Connect

    Babichenko, V. S. Kagan, Yu.

    2012-11-15

    The influence of multiparticle correlation effects and Cooper pairing in an ultracold Fermi gas with a negative scattering length on the formation rate of molecules is investigated. Cooper pairing is shown to cause the formation rate of molecules to increase, as distinct from the influence of Bose-Einstein condensation in a Bose gas on this rate. This trend is retained in the entire range of temperatures below the critical one.

  15. Oxygen K-edge absorption spectra of small molecules in the gas phase

    SciTech Connect

    Yang, B.X.; Kirz, J.; Sham, T.K.

    1986-01-01

    The absorption spectra of O/sub 2/, CO, CO/sub 2/ and OCS have been recorded in a transmission mode in the energy region from 500 to 950 eV. Recent observation of EXAFS in these molecules is confirmed in this study. 7 refs., 3 figs.

  16. Measuring the internal energy content of molecules transported across the liquid-gas interface

    NASA Astrophysics Data System (ADS)

    Maselli, Olivia J.; Gascooke, Jason R.; Lawrance, Warren D.; Buntine, Mark A.

    2009-09-01

    Many details concerning the mechanism associated with the liberation of molecules from a liquid surface remain to be elucidated. We use the liquid microjet technique coupled with laser spectroscopy to measure the rotational and vibrational energy content of benzene spontaneously evaporating from a water-ethanol solution. These measurements provide molecular level insight into the mass and energy transfer processes associated with evaporation.

  17. Creation of a strongly dipolar gas of ultracold ground-state 23 Na87 Rb molecules

    NASA Astrophysics Data System (ADS)

    Guo, Mingyang; Zhu, Bing; Lu, Bo; Ye, Xin; Wang, Fudong; Wang, Dajun; Vexiau, Romain; Bouloufa-Maafa, Nadia; Quéméner, Goulven; Dulieu, Olivier

    2016-05-01

    We report on successful creation of an ultracold sample of ground-state 23 Na87 Rb molecules with a large effective electric dipole moment. Through a carefully designed two-photon Raman process, we have successfully transferred the magneto-associated Feshbach molecules to the singlet ground state with high efficiency, obtaining up to 8000 23 Na87 Rb molecules with peak number density over 1011 cm-3 in their absolute ground-state level. With an external electric field, we have induced an effective dipole moment over 1 Debye, making 23 Na87 Rb the most dipolar ultracold particle ever achieved. Contrary to the expectation, we observed a rather fast population loss even for 23 Na87 Rb in the absolute ground state with the bi-molecular exchange reaction energetically forbidden. The origin for the short lifetime and possible ways of mitigating it are currently under investigation. Our achievements pave the way toward investigation of ultracold bosonic molecules with strong dipolar interactions. This work is supported by the Hong Kong RGC CUHK404712 and the ANR/RGC Joint Research Scheme ACUHK403/13.

  18. Interaction of various gas molecules with paddle-wheel-type open metal sites of porous coordination polymers: theoretical investigation.

    PubMed

    Hijikata, Yuh; Sakaki, Shigeyoshi

    2014-03-01

    We theoretically evaluated binding energies (Eb's) between various gas molecules and the Cu center open metal site (Cu-OMS) of Cu paddle-wheel units, [Cu2(O2CR)4] (R = H, Me, or Ph) using density functional theory (DFT) and MP2-MP4. The optimized geometry of the model system [Cu2(O2CPh)4] agrees with the experimental structure. The Eb of CO with [Cu2(O2CH)4] is only slightly different between the open-shell singlet and triplet states. The calculated Eb decreases in the order MeNC > H2O > MeCN > C2H4 > C2H2 > CO > CO2 > N2 > CH4 > H2. The trend is discussed in terms of the electrostatic interaction energy (ES), exchange repulsion energy (EX), and charge-transfer (CT) + polarization (Pol) interaction energy at the Hartree-Fock level and the electron correlation effect. The ES increases linearly with an increase in Eb, while the EX decreases linearly with an increase in Eb. These relationships indicate that the ES compensates for the EX. In other words, the Eb does not depend on the sum of ES and EX, which corresponds to the static energy. The electron correlation effect contributes little to the above-mentioned decreasing order of Eb. The total Eb roughly increases with an increase in the CT+Pol term, suggesting that the CT+Pol term plays important roles in determining the trend of Eb. The shift of the stretching frequency of adsorbed gas molecules on the Cu-OMS is reproduced well by the DFT calculation with the model system [Cu2(O2CH)4(L)2] (L = gas molecule). We found that the positive charge on the Cu significantly contributes to the shift in the end-on coordination gas molecules such as CO, MeNC, MeCN, and N2. Although the shift has been generally discussed in terms of donation and back-donation, the present result indicates that the electrostatic potential field in the porous coordination polymer should be considered in the discussion of the frequency shift. PMID:24512503

  19. Drag force and transport property of a small cylinder in free molecule flow: A gas-kinetic theory analysis.

    PubMed

    Liu, Changran; Li, Zhigang; Wang, Hai

    2016-08-01

    Analytical expressions are derived for aerodynamic drag force on small cylinders in the free molecule flow using the gas-kinetic theory. The derivation considers the effect of intermolecular interactions between the cylinder and gas media. Two limiting collision models, specular and diffuse scattering, are investigated in two limiting cylinder orientations with respect to the drift velocity. The earlier solution of Dahneke [B. E. Dahneke, J. Aerosol Sci. 4, 147 (1973)10.1016/0021-8502(73)90066-9] is shown to be a special case of the current expressions in the rigid-body limit of collision. Drag force expressions are obtained for cylinders that undergo Brownian rotation and for those that align with the drift velocity. The validity of the theoretical expressions is tested against experimental mobility data available for carbon nanotubes. PMID:27627388

  20. Drag force and transport property of a small cylinder in free molecule flow: A gas-kinetic theory analysis

    NASA Astrophysics Data System (ADS)

    Liu, Changran; Li, Zhigang; Wang, Hai

    2016-08-01

    Analytical expressions are derived for aerodynamic drag force on small cylinders in the free molecule flow using the gas-kinetic theory. The derivation considers the effect of intermolecular interactions between the cylinder and gas media. Two limiting collision models, specular and diffuse scattering, are investigated in two limiting cylinder orientations with respect to the drift velocity. The earlier solution of Dahneke [B. E. Dahneke, J. Aerosol Sci. 4, 147 (1973), 10.1016/0021-8502(73)90066-9] is shown to be a special case of the current expressions in the rigid-body limit of collision. Drag force expressions are obtained for cylinders that undergo Brownian rotation and for those that align with the drift velocity. The validity of the theoretical expressions is tested against experimental mobility data available for carbon nanotubes.

  1. Stability of metal organic frameworks and interaction of small gas molecules in these materials

    NASA Astrophysics Data System (ADS)

    Tan, Kui

    The work in this dissertation combines spectroscopy ( in-situ infrared absorption and Raman), powder X-ray diffraction and DFT calculations to study the stability of metal organic frameworks materials (MOFs) in the presence of water vapor and other corrosive gases (e.g., SO 2, NO2 NO), and the interaction and competitive co-adsorption of several gases within MOFs by considering two types of prototypical MOFs: 1) a MOF with saturated metal centers based on paddlewheel secondary building units: M(bdc)(ted)0.5 [M=Cu, Zn, Ni, Co, bdc = 1,4-benzenedicarboxylate, ted = triethylenediamine], and 2) a MOF with unsaturated metal centers: M2(dobdc) [M=Mg2+, Zn2+, Ni2+, Co2+ and dobdc = 2,5-dihydroxybenzenedicarboxylate]. We find that the stability of MOFs to water vapor critically depends on their structure and the specific metal cation in the building units. For M(bdc)(ted)0.5, the metal-bdc bond is the most vulnerable for Cu(bdc)(ted)0.5, while the metal-ted bond is first attacked for the Zn and Co analogs. In contrast, Ni(bdc)(ted)0.5 remains stable under the same conditions. For M2(dobdc), or MOF-74, the weak link is the dobdc-metal bond. The water molecule is dissociatively adsorbed at the metal-oxygen group with OH adsorption directly on the metal center and H adsorption on the bridging O of the phenolate group in the dobdc linker. Other technologically important molecules besides water, such as NO, NO2, SO2, tend to poison M2(dobdc) through dissociative or molecular adsorption onto the open metal sites. A high uptake SO2 capacity was measured in M(bdc)(ted)0.5, attributed to multipoint interactions between the guest SO2 molecule and the MOF host. In the case of competitive co-adsorption between CO2 and other small molecules, we find that binding energy alone is not a good indicator of molecular site occupation within the MOF (i.e., it cannot successfully predict and evaluate the displacement of CO2 by other molecules). Instead, we show that the kinetic barrier for the

  2. Half-quantum vortex molecules in a binary dipolar Bose gas.

    PubMed

    Shirley, Wilbur E; Anderson, Brandon M; Clark, Charles W; Wilson, Ryan M

    2014-10-17

    We study the ground state phases of a rotating two-component, or binary, Bose-Einstein condensate, wherein one component possesses a large permanent magnetic dipole moment. A variety of nontrivial phases emerge in this system, including a half-quantum vortex (HQV) chain phase and a HQV molecule phase, where HQVs bind at short distances. We attribute these phases to the development of a minimum in the HQV interaction potential, which emerges without coherent coupling or attractive interactions between the components. Thus, we show that the presence of dipolar interactions in this system provides a unique mechanism for the formation of HQV molecules and results in a rich ground state phase diagram. PMID:25361261

  3. Rotational excitation of hydrogen molecules by collisions with hydrogen atoms. [interstellar gas energetics

    NASA Technical Reports Server (NTRS)

    Green, S.; Truhlar, D. G.

    1979-01-01

    Rate constants for rotational excitation of hydrogen molecules by collisions with hydrogen atoms have been obtained from quantum-mechanical calculations for kinetic temperatures between 100 and 5000 K. These calculations involve the rigid-rotator approximation, but other possible sources of error should be small. The calculations indicate that the early values of Nishimura are larger than accurate rigid-rotator values by about a factor of 20 or more.

  4. Mössbauer spectroscopy of trimethyl tin halide molecules matrix-isolated in solid rare gas

    NASA Astrophysics Data System (ADS)

    Bukshpan, S.

    1991-02-01

    The study of matrix-isolated (CH 3) 3SnCl, (CH 3) 3SnBr and (CH 3) 3SnI reveals a tetrahedral molecular structure similar to the corresponding phenyl molecules. The results confirm that in the crystalline state of these compounds the tin atom is five-coordinated while in the matrix-isolated state the coordination number is four.

  5. Mass accommodation of aniline, phenol and toluene on aqueous droplets

    SciTech Connect

    Heal, M.R.; Pilling, M.J.; Titcombe, P.E.

    1995-11-15

    This report describes measurements of mass accommodation coefficients at a temperature of 283k for the volatile organic compounds aniline, phenol, and toluene using the droplet train method. Laser induced fluoresecence was used as a detection method for the trace molecules.

  6. Strongly aligned gas-phase molecules at free-electron lasers

    DOE PAGESBeta

    Kierspel, Thomas; Wiese, Joss; Mullins, Terry; Robinson, Joseph; Aquila, Andy; Barty, Anton; Bean, Richard; Boll, Rebecca; Boutet, Sebastien; Bucksbaum, Philip; et al

    2015-09-16

    Here, we demonstrate a novel experimental implementation to strongly align molecules at full repetition rates of free-electron lasers. We utilized the available in-house laser system at the coherent x-ray imaging beamline at the linac coherent light source. Chirped laser pulses, i.e., the direct output from the regenerative amplifier of the Ti:Sa chirped pulse amplification laser system, were used to strongly align 2, 5-diiodothiophene molecules in a molecular beam. The alignment laser pulses had pulse energies of a few mJ and a pulse duration of 94 ps. A degree of alignment ofmore » $$\\langle {\\mathrm{cos}}^{2}{\\theta }_{2{\\rm{D}}}\\rangle =0.85$$ was measured, limited by the intrinsic temperature of the molecular beam rather than by the available laser system. With the general availability of synchronized chirped-pulse-amplified near-infrared laser systems at short-wavelength laser facilities, our approach allows for the universal preparation of molecules tightly fixed in space for experiments with x-ray pulses.« less

  7. Strongly aligned gas-phase molecules at free-electron lasers

    SciTech Connect

    Kierspel, Thomas; Wiese, Joss; Mullins, Terry; Robinson, Joseph; Aquila, Andy; Barty, Anton; Bean, Richard; Boll, Rebecca; Boutet, Sebastien; Bucksbaum, Philip; Chapman, Henry N.; Christensen, Lauge; Fry, Alan; Hunter, Mark; Koglin, Jason E.; Liang, Mengning; Mariani, Valerio; Morgan, Andrew; Natan, Adi; Petrovic, Vladimir; Rolles, Daniel; Rudenko, Artem; Schnorr, Kirsten; Stapelfeldt, Henrik; Stern, Stephan; Thogersen, Jan; Yoon, Chun Hong; Wang, Fenglin; Trippel, Sebastian; Kupper, Jochen

    2015-09-16

    Here, we demonstrate a novel experimental implementation to strongly align molecules at full repetition rates of free-electron lasers. We utilized the available in-house laser system at the coherent x-ray imaging beamline at the linac coherent light source. Chirped laser pulses, i.e., the direct output from the regenerative amplifier of the Ti:Sa chirped pulse amplification laser system, were used to strongly align 2, 5-diiodothiophene molecules in a molecular beam. The alignment laser pulses had pulse energies of a few mJ and a pulse duration of 94 ps. A degree of alignment of $\\langle {\\mathrm{cos}}^{2}{\\theta }_{2{\\rm{D}}}\\rangle =0.85$ was measured, limited by the intrinsic temperature of the molecular beam rather than by the available laser system. With the general availability of synchronized chirped-pulse-amplified near-infrared laser systems at short-wavelength laser facilities, our approach allows for the universal preparation of molecules tightly fixed in space for experiments with x-ray pulses.

  8. Dipolar Effects in an Ultracold Gas of LiCs Molecules

    NASA Astrophysics Data System (ADS)

    Weidemueller, Matthias

    2011-05-01

    Recently, there has been important progress in the investigation of ultracold polar molecules in the absolute ground state, thus opening intriguing perspectives for strongly correlated quantum systems under the influence of long-range dipolar forces. We have studied the formation of LiCs molecules via photoassociation (PA) in a double-species magneto-optical trap. The LiCs dimer is a particularly promising candidate for observing dipolar effects, as it possesses the largest dipole moment of all alkali dimers (5.5 Debye in the ground state). Ultracold LiCs molecules in the absolute rovibrational ground state are formed by a single photo-association step. The dipole moment of ground state levels is determined by Stark spectroscopy and was found to be in excellent agreement with the theoretical predictions. Vibrational redistribution due to spontaneous emission and blackbody radiation is observed and compared a rate-equation model.In collaboration with Johannes Deiglmayr, Marc Repp, University of Heidelberg; Roland Wester, University of Innsbruck; and Olivier Dulieu, Laboratoire Aime Cotton. Work was supported by DFG and ESF in the framework of the Eurocores EuroQUAM as well as the Heidelberg Center for Quantum Dynamics.

  9. Accommodation Assisting Glasses for Presbyopia

    NASA Astrophysics Data System (ADS)

    Fujita, Toyomi; Idesawa, Masanori

    2002-10-01

    We have considered the important functions for developing accommodation-assistance glasses which can assist eye focusing for aged person with presbyopia.We focused on keys to realize small and lightweight variable focusing lens and gaze distance detection. We devised new variable focusing lenses with control and gaze distance detection with a tunnel light path device. A prototype of glasses with devised elements was manufactured experimentally. From the result of trial use of them and experiments for evaluating characteristics,it was confirmed that proposed technologies were useful for realization of accommodation-assistance glasses.

  10. A triply interpenetrated microporous metal-organic framework for selective sorption of gas molecules.

    PubMed

    Chen, Banglin; Ma, Shengqian; Hurtado, Eric J; Lobkovsky, Emil B; Zhou, Hong-Cai

    2007-10-15

    A microporous metal-organic framework Zn(ADC)(4,4'-Bpe)(0.5).xG [1; ADC = 4,4'-azobenzenedicarboxylate, 4,4'-Bpe = trans-bis(4-pyridyl)ethylene, G = guest molecules] with a triply interpenetrative primitive cubic net was synthesized and characterized. With pores of about 3.4 x 3.4 A, the activated 1a exhibits highly selective sorption behavior toward H(2)/N(2), H(2)/CO, and CO(2)/CH(4). PMID:17854181

  11. Experimental and Numerical Investigation of Guest Molecule Exchange Kinetics based on the 2012 Ignik Sikumi Gas Hydrate Field Trial

    NASA Astrophysics Data System (ADS)

    Ruprecht Yonkofski, C. M.; Horner, J.; White, M. D.

    2015-12-01

    In 2012 the U.S. DOE/NETL, ConocoPhillips Company, and Japan Oil, Gas and Metals National Corporation jointly sponsored the first field trial of injecting a mixture of N2-CO2 into a CH4-hydrate bearing formation beneath the permafrost on the Alaska North Slope. Known as the Ignik Sikumi #1 Gas Hydrate Field Trial, this experiment involved three stages: 1) the injection of a N2-CO2 mixture into a targeted hydrate-bearing layer, 2) a 4-day pressurized soaking period, and 3) a sustained depressurization and fluid production period. Data collected during the three stages of the field trial were made available after a thorough quality check. The Ignik Sikumi #1 data set is extensive, but contains no direct evidence of the guest-molecule exchange process. This study uses numerical simulation to provide an interpretation of the CH4/CO2/N2 guest molecule exchange process that occurred at Ignik Sikumi #1. Simulations were further informed by experimental observations. The goal of the scoping experiments was to understand kinetic exchange rates and develop parameters for use in Iġnik Sikumi history match simulations. The experimental procedure involves two main stages: 1) the formation of CH4 hydrate in a consolidated sand column at 750 psi and 2°C and 2) flow-through of a 77.5/22.5 N2/CO2 molar ratio gas mixture across the column. Experiments were run both above and below the hydrate stability zone in order to observe exchange behavior across varying conditions. The numerical simulator, STOMP-HYDT-KE, was then used to match experimental results, specifically fitting kinetic behavior. Once this behavior is understood, it can be applied to field scale models based on Ignik Sikumi #1.

  12. Molecular Frame Photoemission: Probe of the Photoionization Dynamics for Molecules in the Gas Phase

    NASA Astrophysics Data System (ADS)

    Dowek, D.; Picard, Y. J.; Billaud, P.; Elkharrat, C.; Houver, J. C.

    2009-04-01

    Molecular frame photoemission is a very sensitive probe of the photoionization (PI) dynamics of molecules. This paper reports a comparative study of non-resonant and resonant photoionization of D2 induced by VUV circularly polarized synchrotron radiation at SOLEIL at the level of the molecular frame photoelectron angular distributions (MFPADs). We use the vector correlation method which combines imaging and time-of-flight resolved electron-ion coincidence techniques, and a generalized formalism for the expression of the I(χ, θe, varphie) MFPADs, where χ is the orientation of the molecular axis with respect to the light quantization axis and (θe, varphie) the electron emission direction in the molecular frame. Selected MFPADs for a molecule aligned parallel or perpendicular to linearly polarized light, or perpendicular to the propagation axis of circularly polarized light, are presented for dissociative photoionization (DPI) of D2 at two photon excitation energies, hν = 19 eV, where direct PI is the only channel opened, and hν = 32.5 eV, i.e. in the region involving resonant excitation of Q1 and Q2 doubly excited state series. We discuss in particular the properties of the circular dichroism characterizing photoemission in the molecular frame for direct and resonant PI. In the latter case, a remarkable behavior is observed which may be attributed to the interference occurring between undistinguishable autoionization decay channels.

  13. Turing Patterning Using Gene Circuits with Gas-Induced Degradation of Quorum Sensing Molecules

    PubMed Central

    Hasty, Jeff; Tsimring, Lev

    2016-01-01

    The Turing instability was proposed more than six decades ago as a mechanism leading to spatial patterning, but it has yet to be exploited in a synthetic biology setting. Here we characterize the Turing instability in a specific gene circuit that can be implemented in vitro or in populations of clonal cells producing short-range activator N-Acyl homoserine lactone (AHL) and long-range inhibitor hydrogen peroxide (H2O2) gas. Slowing the production rate of the AHL-degrading enzyme, AiiA, generates stable fixed states, limit cycle oscillations and Turing patterns. Further tuning of signaling parameters determines local robustness and controls the range of unstable wavenumbers in the patterning regime. These findings provide a roadmap for optimizing spatial patterns of gene expression based on familiar quorum and gas sensitive E. coli promoters. The circuit design and predictions may be useful for (re)programming spatial dynamics in synthetic and natural gene expression systems. PMID:27148743

  14. Greenhouse Gas Molecule CO2 Detection Using a Capacitive Micromachined Ultrasound Transducer.

    PubMed

    Barauskas, Dovydas; Pelenis, Donatas; Virzonis, Darius; Baltrus, John P; Baltrusaitis, Jonas

    2016-07-01

    We manufactured and tested a capacitive micromachined ultrasound transducer (CMUT)-based sensor for CO2 detection at environmentally relevant concentrations using polyethylenimine as a CO2 binding material. The assembly of a sensing chip was 10 × 20 mm, and up to 5 gases can potentially be detected simultaneously using a masking technique and different sensing materials. The limit of detection was calculated to be 0.033 CO2 vol % while the limit of quantification was calculated to be 0.102%. The sensor exhibited a linear response between 0.06% and 0.30% CO2 while concentrations close to those in flue gas can also be measured using dilution with inert gas. PMID:27321769

  15. Visual accommodation trainer-tester

    NASA Technical Reports Server (NTRS)

    Randle, Robert J. (Inventor)

    1988-01-01

    An apparatus for training the human visual accommodation system is described. Specifically, the apparatus is useful for training personnel to volitionally control focus to the far point (normally infinity) from a position of myopia due to functional causes. The functional causes could be due, for example, to a behavioral accommodative spasm or the effects of an empty field. The device may also be used to measure accommodation, the accommodation resting position and the near and far points of vision. The device comprises a number of optical elements arranged on a single optical axis. Several of the elements are arranged in order on a movable stage in fixed relationship to each other: a light source, a lens, a target, an aperture and/or a second lens. On a base and in fixed relationship to each other are eyepiece and third lens. A stage generates an image of the target and the stage is movable with respect to the base by means of a knob. The device is utilized for the various training and test functions by following a series of procedural steps, and interchanging the apertures as necessary for the selected procedure.

  16. Accommodations for Multiple Choice Tests

    ERIC Educational Resources Information Center

    Trammell, Jack

    2011-01-01

    Students with learning or learning-related disabilities frequently struggle with multiple choice assessments due to difficulty discriminating between items, filtering out distracters, and framing a mental best answer. This Practice Brief suggests accommodations and strategies that disability service providers can utilize in conjunction with…

  17. Educators' Interpretations of Ambiguous Accommodations

    ERIC Educational Resources Information Center

    Byrnes, MaryAnn

    2008-01-01

    This exploratory case study examined how general and special education teachers in one school district interpreted three frequently used accommodations. Although a majority of both groups agreed on interpretations of extended time, there was little agreement, considerable variation, and some contradiction in their understanding of the changes…

  18. Cultural Accommodation Model of Counseling

    ERIC Educational Resources Information Center

    Leong, Frederick T. L.

    2011-01-01

    The current article provides an overview to the cultural accommodation model (CAM) of counseling (Leong & Lee, 2006) that may help guide employment counselors' work. The integrative multidimensional model of cross-cultural counseling (Leong, 1996), a precursor to the CAM, is also reviewed.

  19. Reasonable Accommodation in Training Safety.

    ERIC Educational Resources Information Center

    Sandoz, Jeff

    A pictograph and icon-driven training program has been specifically designed for educators who are responsible for teaching the developmentally disabled regarding the safe use of hazardous chemicals. In alignment with the Americans with Disabilities Act, it offers "reasonable accommodation" by those who educate and train this special population in…

  20. A centre for accommodative vergence motor control

    NASA Technical Reports Server (NTRS)

    Wilson, D.

    1973-01-01

    Latencies in accommodation, accommodative-vergence, and pupil-diameter responses to changing accommodation stimuli, as well as latencies in pupil response to light-intensity changes were measured. From the information obtained, a block diagram has been derived that uses the least number of blocks for representing the accommodation, accommodative-vergence, and pupil systems. The signal transmission delays over the various circuits of the model have been determined and compared to known experimental physiological-delay data. The results suggest the existence of a motor center that controls the accommodative vergence and is completely independent of the accommodation system.

  1. Chemical reactions between cold trapped Ba+ ions and neutral molecules in the gas phase

    NASA Astrophysics Data System (ADS)

    Roth, B.; Offenberg, D.; Zhang, C. B.; Schiller, S.

    2008-10-01

    Using a laser-cooled ion trapping apparatus, we have investigated laser-induced chemical reactions between cold trapped Ba+ ions and several neutral molecular gases at room temperature, O2 , CO2 , and N2O , leading to the production of cold trapped (≈20mK) BaO+ ions. The BaO+ ions were converted back to Ba+ ions via reaction with room-temperature CO. Reaction rates were determined by employing molecular dynamics simulations. The cold mixed-species ion ensembles produced were used for studying the efficiency of sympathetic cooling, by variation of the ratio of laser-cooled to sympathetically cooled ion numbers. In one extreme case, 20 laser-cooled Ba+138 ions were capable of maintaining the translational temperature of 120 sympathetically cooled barium isotopes (Ba+135-137) and 430 Ba16138O+ molecules at approximately 25mK .

  2. An index of the literature for bimolecular gas phase cation-molecule reaction kinetics

    NASA Technical Reports Server (NTRS)

    Anicich, V. G.

    2003-01-01

    This is an index to the literature for gas phase bimolecular positive ionmolecule reactions. Over 2300 references are cited. Reaction rate coefficients and product distributions of the reactions are abstracted out of the original citations where available. This index is intended to cover the literature from 1936 to 2003. This is a continuation of several surveys: the original (Huntress Astrophys. J. Suppl. Ser., 33, 495 (1977)), an expansion (Anicich and Huntress, Astrophys. J. Suppl. Ser. 62, 553 (1986)), a supplement (Anicich, Astrophys. J. Suppl. Ser. 84, 215 (1993)), and an evaluation (Anicich, V. G. J. Phys. Chem. Ref. Data 22,1469 (1993b). The Table of reactions is listed by reactant ion.

  3. Post-translational modification in the gas phase: mechanism of cysteine S-nitrosylation via ion-molecule reactions

    PubMed Central

    Osburn, Sandra; O'Hair, Richard A.J.; Black, Stephen M.; Ryzhov, Victor

    2013-01-01

    The gas-phase mechanism of S-nitrosylation of thiols was studied in a quadrupole ion trap mass spectrometer. This was done via ion-molecule reactions of protonated cysteine and many of its derivatives and other thiol ions with neutral tert-butyl nitrite or nitrous acid. Our results showed that the presence of the carboxylic acid functional group, –COOH, in the vicinity of the thiol group is essential for the gas-phase nitrosylation of thiols. When the carboxyl proton is replaced by a methyl group (cysteine methyl ester) no nitrosylation was observed. Other thiols lacking a carboxylic acid functional group displayed no S-nitrosylation, strongly suggesting that the carboxyl hydrogen plays a key role in the nitrosylation process. These results are in excellent agreement with a solution-phase mechanism proposed by Stamler et al. (J. S. Stamler, E. J. Toone, S. A. Lipton, N. J. Sucher. Neuron 1997, 18, 691–696) who suggested a catalytic role for the carboxylic acid group adjacent to cysteine residues and with later additions by Ascenzi et al. (P. Ascenzi, M. Colasanti, T. Persichini, M. Muolo, F. Polticelli, G. Venturini, D. Bordo, M. Bolognesi. Biol. Chem. 2000, 381, 623–627) who postulated that the presence of the carboxyl in the cysteine microenvironment in proteins is crucial for S-nitrosylation. A concerted mechanism for the gas-phase S-nitrosylation was proposed based on our results and was further studied using theoretical calculations. Our calculations showed that this proposed pathway is exothermic by 44.0 kJ mol−1. This is one of the few recent examples when a gas-phase mechanism matches one in solution. PMID:22006383

  4. Post-translational modification in the gas phase: mechanism of cysteine S-nitrosylation via ion-molecule reactions.

    PubMed

    Osburn, Sandra; O'Hair, Richard A J; Black, Stephen M; Ryzhov, Victor

    2011-11-15

    The gas-phase mechanism of S-nitrosylation of thiols was studied in a quadrupole ion trap mass spectrometer. This was done via ion-molecule reactions of protonated cysteine and many of its derivatives and other thiol ions with neutral tert-butyl nitrite or nitrous acid. Our results showed that the presence of the carboxylic acid functional group, -COOH, in the vicinity of the thiol group is essential for the gas-phase nitrosylation of thiols. When the carboxyl proton is replaced by a methyl group (cysteine methyl ester) no nitrosylation was observed. Other thiols lacking a carboxylic acid functional group displayed no S-nitrosylation, strongly suggesting that the carboxyl hydrogen plays a key role in the nitrosylation process. These results are in excellent agreement with a solution-phase mechanism proposed by Stamler et al. (J. S. Stamler, E. J. Toone, S. A. Lipton, N. J. Sucher. Neuron 1997, 18, 691-696) who suggested a catalytic role for the carboxylic acid group adjacent to cysteine residues and with later additions by Ascenzi et al. (P. Ascenzi, M. Colasanti, T. Persichini, M. Muolo, F. Polticelli, G. Venturini, D. Bordo, M. Bolognesi. Biol. Chem. 2000, 381, 623-627) who postulated that the presence of the carboxyl in the cysteine microenvironment in proteins is crucial for S-nitrosylation. A concerted mechanism for the gas-phase S-nitrosylation was proposed based on our results and was further studied using theoretical calculations. Our calculations showed that this proposed pathway is exothermic by 44.0 kJ mol(-1). This is one of the few recent examples when a gas-phase mechanism matches one in solution. PMID:22006383

  5. Dissociation degree of nitrogen molecule in low-pressure microwave-discharge nitrogen plasma with various rare-gas admixtures

    NASA Astrophysics Data System (ADS)

    Kuwano, Kei; Nezu, Atsushi; Matsuura, Haruaki; Akatsuka, Hiroshi

    2016-08-01

    The dissociation degree of nitrogen molecules is examined in a microwave discharge nitrogen–rare gas mixture plasma with a total discharge pressure of 1 Torr, by actinometry measurement. Although the spectral line from the excited nitrogen atoms is overlapped by the band spectrum of the N2 first positive system (1PS), the subtraction of the 1PS spectrum fitted theoretically can successfully extract the atomic nitrogen line, which enables actinometry measurement. The nitrogen dissociation degree decreases with increasing mixture ratio of Ar to Kr, whereas it increases with He, which is attributed to the variations in the electron temperature and density. When we dilute the nitrogen with neon, however, we find an anomalous increase in the nitrogen dissociation degree by several orders of magnitude even at a downstream region in the discharge tube. The reason for the dissociation enhancement upon adding neon is discussed in terms of atomic and molecular processes in the plasma.

  6. Nuclear dynamics and spectator effects in resonant inelastic soft x-ray scattering of gas-phase water molecules

    SciTech Connect

    Weinhardt, Lothar; Benkert, Andreas; Meyer, Frank; Blum, Monika; Wilks, Regan G.; Yang, Wanli; Baer, Marcus; Reinert, Friedrich; and others

    2012-04-14

    The electronic structure of gas-phase H{sub 2}O and D{sub 2}O molecules has been investigated using resonant inelastic soft x-ray scattering (RIXS). We observe spectator shifts for all valence orbitals when exciting into the lowest three absorption resonances. Strong changes of the relative valence orbital emission intensities are found when exciting into the different absorption resonances, which can be related to the angular anisotropy of the RIXS process. Furthermore, excitation into the 4a{sub 1} resonance leads to nuclear dynamics on the time scale of the RIXS process; we find evidence for vibrational coupling and molecular dissociation in both, the spectator and the participant emission.

  7. Fabrication of zeolitic imidazolate framework-8-methacrylate monolith composite capillary columns for fast gas chromatographic separation of small molecules.

    PubMed

    Yusuf, Kareem; Badjah-Hadj-Ahmed, Ahmed Yacine; Aqel, Ahmad; ALOthman, Zeid Abdullah

    2015-08-01

    A composite zeolitic imidazolate framework-8 (ZIF-8) with a butyl methacrylate-co-ethylene dimethacrylate (BuMA-co-EDMA) monolithic capillary column (33.5cm long×250μm i.d.) was fabricated to enhance the separation efficiency of methacrylate monoliths toward small molecules using conventional low-pressure gas chromatography in comparison with a neat butyl methacrylate-co-ethylene dimethacrylate (BuMA-co-EDMA) monolithic capillary column (33.5cm long×250μm i.d.). The addition of 10mgmL(-1) ZIF-8 micro-particles increased the BET surface area of BuMA-co-EDMA by 3.4-fold. A fast separation of five linear alkanes in 36s with high resolution (Rs≥1.3) was performed using temperature program. Isothermal separation of the same sample also showed a high efficiency (3315platesm(-1) for octane) at 0.89min. Moreover, the column was able to separate skeletal isomers, such as iso-octane/octane and 2-methyl octane/nonane. In addition, an iso-butane/iso-butylene gas mixture was separated at ambient temperature. Comparison with an open tubular TR-5MS column (30m long×250μm i.d.) revealed the superiority of the composite column in separating the five-membered linear alkane mixture with 4-5 times increase in efficiency and a total separation time of 0.89min instead of 4.67min. A paint thinner sample was fully separated using the composite column in 2.43min with a good resolution (Rs≥0.89). The perfect combination between the polymeric monolith, with its high permeability, and ZIF-8, with its high surface area and flexible 0.34nm pore openings, led to the fast separation of small molecules with high efficiency and opened a new horizon in GC applications. PMID:26141277

  8. Kohn-Sham approach to Fermi gas superfluidity: The bilayer of fermionic polar molecules

    NASA Astrophysics Data System (ADS)

    Ancilotto, Francesco

    2016-05-01

    By using a well-established "ab initio" theoretical approach developed in the past to quantitatively study the superconductivity of condensed matter systems, based on the Kohn-Sham density functional theory, I study the superfluid properties and the BCS-BEC crossover of two parallel bi-dimensional layers of fermionic dipolar molecules, where the pairing mechanism leading to superfluidity is provided by the interlayer coupling between dipoles. The finite temperature superfluid properties of both the homogeneous system and one where the fermions in each layer are confined by a square optical lattice are studied at half filling conditions, and for different values of the strength of the confining optical potential. The T = 0 results for the homogeneous system are found to be in excellent agreement with diffusion Monte Carlo results. The superfluid transition temperature in the BCS region is found to increase, for a given interlayer coupling, with the strength of the confining optical potential. A transition occurs at sufficiently small interlayer distances, where the fermions becomes localized within the optical lattice sites in a square geometry with an increased effective lattice constant, forming a system of localized composite bosons. This transition should be signaled by a sudden drop in the superfluid fraction of the system.

  9. GAS-PHASE REACTIONS OF POLYCYCLIC AROMATIC HYDROCARBON ANIONS WITH MOLECULES OF INTERSTELLAR RELEVANCE

    SciTech Connect

    Demarais, Nicholas J.; Yang Zhibo; Martinez, Oscar; Wehres, Nadine; Bierbaum, Veronica M.; Snow, Theodore P. E-mail: Zhibo.Yang@Colorado.edu E-mail: Nadine.Wehres@Colorado.edu E-mail: Theodore.Snow@Colorado.edu

    2012-02-10

    We have studied reactions of small dehydrogenated polycyclic aromatic hydrocarbon anions with neutral species of interstellar relevance. Reaction rate constants are measured at 300 K for the reactions of phenide (C{sub 6}H{sup -}{sub 5}), naphthalenide (C{sub 10}H{sup -}{sub 7}), and anthracenide (C{sub 14}H{sup -}{sub 9}) with atomic H, H{sub 2}, and D{sub 2} using a flowing afterglow-selected ion flow tube instrument. Reaction rate constants of phenide with neutral molecules (CO, O{sub 2}, CO{sub 2}, N{sub 2}O, C{sub 2}H{sub 2}, CH{sub 3}OH, CH{sub 3}CN, (CH{sub 3}){sub 2}CO, CH{sub 3}CHO, CH{sub 3}Cl, and (CH{sub 3}CH{sub 2}){sub 2}O) are also measured under the same conditions. Experimental measurements are accompanied by ab initio calculations to provide insight into reaction pathways and enthalpies. Our measured reaction rate constants should prove useful in the modeling of astrophysical environments, particularly when applied to dense regions of the interstellar and circumstellar medium.

  10. Gas-phase ion-molecule reactions of small nitroalkanes and their deprotonated anions.

    PubMed

    Kato, Shuji; Carrigan, Kathleen E; DePuy, Charles H; Bierbaum, Veronica M

    2004-01-01

    Gas-phase reactions of nitromethane (1), nitroethane (2), 2-nitropropane (3), 2-methyl-2-nitropropane (4) and nitrocyclopropane (5) were studied at 300 K using the flowing afterglow technique. These nitroalkanes react with gas-phase bases HO(-), CH(3)O(-) and HOO(-) very rapidly with rate coefficients of (2.5-4.3) x 10(-9) cm(3) s(-1) and reaction efficiencies of 60-100%, for example, k = 3.2 x 10(-9) cm(3) s(-1) (86%) for 5 reacting with hydroperoxide anion. Proton transfer (PT) is the only reaction observed for 1 while elimination (E2) is the exclusive pathway for 4 yielding isobutene and NO(2)(-). Both PT and E2 reactions are observed for 2, 3 and 5, the former being the major pathway. Deprotonated anions of 1, 2, 3 and 5 were subjected to reactivity studies with CH(3)I, CO(2), CS(2) and SO(2). Nucleophilic substitution (S(N)2) reaction occurs with CH(3)I while characteristic products CS(2)O(-) and SO(3)(-) are formed from CS(2) and SO(2), respectively, along with competing adduct formation. The SN(2) rate is greater, whereas the reactivities with the triatomic reagents are smaller for deprotonated nitrocyclopropane than for the other acyclic anions. These observations strongly suggest that the reactions of nitroalkane [M - H](-) anions occur through initial attack from the terminal oxygen; the nitrocyclopropane carbanion is more strained and, thus, less stabilized by resonance [R(2)C(-) - NO2 <--> R(2)=NO(2)(-)] resulting in the greater basicity/nucleophilicy and the less negative charge on the oxygen site. PMID:15103100

  11. STS payload data collection and accommodations analysis study. Volume 3: Accommodations analysis

    NASA Technical Reports Server (NTRS)

    1978-01-01

    Payload requirements were compared to launch site accommodations and flight accommodations for a number of Spacelab payloads. Experiment computer operating system accommodations were also considered. A summary of accommodations in terms of resources available for payload discretionary use and recommendations for Spacelab/STS accommodation improvements are presented.

  12. Frequency-Accommodating Manchester Decoder

    NASA Technical Reports Server (NTRS)

    Vasquez, Mario J.

    1988-01-01

    No adjustment necessary to cover a 10:1 frequency range. Decoding circuit converts biphase-level pulse-code modulation to nonreturn-to-zero (NRZ)-level pulse-code modulation plus clock signal. Circuit accommodates input data rate of 50 to 500 kb/s. Tracks gradual changes in rate automatically, eliminating need for extra circuits and manual switching to adjust to different rates.

  13. H-bonding of an NH3 gas molecule to H2O/Pt(111) — A barrier-free path

    NASA Astrophysics Data System (ADS)

    Henkelman, Graeme; Feibelman, Peter J.

    2016-02-01

    Does an OH-flipping barrier hinder H-bond formation between a gas phase molecule and a water monolayer whose free OH ligands point toward a substrate? According to density functional theory calculations for water on Pt(111) the answer is yes, when the molecule is CO or N2, but no when it is NH3. The difference is the relatively strong attraction of the NH3 lone pair to free OH ligands.

  14. Calculations of accommodation coefficients for diatomic molecular gases.

    PubMed

    Ambaye, Hailemariam; Manson, J R

    2006-03-01

    A theoretical study of energy and momentum accommodation coefficients and reduced force coefficients for molecular gases exchanging energy with surfaces has been carried out. The theoretical model uses classical mechanics for describing translational and rotational motions while internal molecular vibrational modes are treated quantum mechanically. Calculations for diatomic molecular gases are compared with recent measurements using hypersonic beams of N2 incident on SiO2 layers deposited on Kapton substrates. The theory gives good qualitative predictions of the behavior of the various accommodation coefficients as functions of the available experimentally controllable parameters such as incident translational energy, incident beam angle, molecular and surface masses, and surface temperature. Quantitative comparisons with measurements for energy and normal momentum accommodation indicate that these experiments can be used to obtain basic physical information about the molecule-surface interaction such as the physisorption potential well depth and the extent of surface roughness. PMID:16605510

  15. Interaction energy and itinerant ferromagnetism in a strongly interacting Fermi gas in the absence of molecule formation

    SciTech Connect

    He, Lianyi

    2014-11-26

    In this study, we investigate the interaction energy and the possibility of itinerant ferromagnetism in a strongly interacting Fermi gas at zero temperature in the absence of molecule formation. The interaction energy is obtained by summing the perturbative contributions of Galitskii-Feynman type to all orders in the gas parameter. It can be expressed by a simple phase-space integral of an in-medium scattering phase shift. In both three and two dimensions (3D and 2D), the interaction energy shows a maximum before reaching the resonance from the Bose-Einstein condensate side, which provides a possible explanation of the experimental measurements of the interaction energy. This phenomenon can be theoretically explained by the qualitative change of the nature of the binary interaction in the medium. The appearance of an energy maximum has significant effects on the itinerant ferromagnetism. In 3D, the ferromagnetic transition is reentrant and itinerant ferromagnetism exists in a narrow window around the energy maximum. In 2D, the present theoretical approach suggests that itinerant ferromagnetism does not exist, which reflects the fact that the energy maximum becomes much lower than the energy of the fully polarized state.

  16. Interaction energy and itinerant ferromagnetism in a strongly interacting Fermi gas in the absence of molecule formation

    DOE PAGESBeta

    He, Lianyi

    2014-11-26

    In this study, we investigate the interaction energy and the possibility of itinerant ferromagnetism in a strongly interacting Fermi gas at zero temperature in the absence of molecule formation. The interaction energy is obtained by summing the perturbative contributions of Galitskii-Feynman type to all orders in the gas parameter. It can be expressed by a simple phase-space integral of an in-medium scattering phase shift. In both three and two dimensions (3D and 2D), the interaction energy shows a maximum before reaching the resonance from the Bose-Einstein condensate side, which provides a possible explanation of the experimental measurements of the interactionmore » energy. This phenomenon can be theoretically explained by the qualitative change of the nature of the binary interaction in the medium. The appearance of an energy maximum has significant effects on the itinerant ferromagnetism. In 3D, the ferromagnetic transition is reentrant and itinerant ferromagnetism exists in a narrow window around the energy maximum. In 2D, the present theoretical approach suggests that itinerant ferromagnetism does not exist, which reflects the fact that the energy maximum becomes much lower than the energy of the fully polarized state.« less

  17. Evaluation of Chemical Interactions between Small Molecules in the Gas Phase Using Chemical Force Microscopy

    PubMed Central

    Lee, Jieun; Ju, Soomi; Kim, In Tae; Jung, Sun-Hwa; Min, Sun-Joon; Kim, Chulki; Sim, Sang Jun; Kim, Sang Kyung

    2015-01-01

    Chemical force microscopy analyzes the interactions between various chemical/biochemical moieties in situ. In this work we examined force-distance curves and lateral force to measure the interaction between modified AFM tips and differently functionalized molecular monolayers. Especially for the measurements in gas phase, we investigated the effect of humidity on the analysis of force-distance curves and the images in lateral force mode. Flat chemical patterns composed of different functional groups were made through micro-contact printing and lateral force mode provided more resolved analysis of the chemical patterns. From the images of 1-octadecanethiol/11-mercapto-1-undecanoic acid patterns, the amine group functionalized tip brought out higher contrast of the patterns than an intact silicon nitride tip owing to the additional chemical interaction between carboxyl and amine groups. For more complex chemical interactions, relative chemical affinities toward specific peptides were assessed on the pattern of 1-octadecanethiol/phenyl-terminated alkanethiol. The lateral image of chemical force microscopy reflected specific preference of a peptide to phenyl group as well as the hydrophobic interaction. PMID:26690165

  18. Ion Molecule Reactions of Gas-Phase Chromium Oxyanions:CrxOyHz- + O2

    SciTech Connect

    Anita K. Gianotto; Brittany D. M. Hodges; Peter de B. Harrington; Anthony Appelhans; John E. Olson; Gary S. Groenewold

    2003-10-01

    Chromium oxyanions, CrxOyHz-, were generated in the gas-phase using a quadrupole ion trap secondary ion mass spectrometer (IT-SIMS), where they were reacted with O2. Only CrO2- of the Cr1OyHz- envelope was observed to react with oxygen, producing primarily CrO3-. The rate constant for the reaction of CrO2- with O2 was 38% of the Langevin collision constant at 310 K. CrO3-, CrO4-, and CrO4H- were unreactive with O2 in the ion trap. In contrast, Cr2O4- was observed to react with O2 producing CrO3- + CrO3 via oxidative degradation at a rate that was 15% efficient. The presence of background water facilitated the reaction of Cr2O4- + H2O to form Cr2O5H2-; the hydrated product ion Cr2O5H2- reacted with O2 to form Cr2O6- (with concurrent elimination of H2O) at a rate that was 6% efficient. Cr2O5- also reacted with O2 to form Cr2O7- (4% efficient) and Cr2O6- + O (2% efficient); these reactions proceeded in parallel. By comparison, Cr2O6- was unreactive with O2, and in fact, no further O2 addition could be observed for any of the Cr2O6Hz- anions. Generalizing, CrxOyHz- species that have low coordinate, low oxidation state metal centers are susceptible to O2 oxidation. However, when the metal coordination is >3, or when the formal oxidation state is =5, reactivity stops.

  19. Short-Term Adaptation of Accommodation, Accommodative Vergence and Disparity Vergence Facility

    PubMed Central

    Maxwell, James; Tong, Jianliang; Schor, Clifton M.

    2012-01-01

    Previous studies have found that subjects can increase the velocity of accommodation using visual exercises such as pencil push ups, flippers, Brock strings and the like and myriad papers have shown improvement in accommodation facility (speed) and sufficiency (amplitude) using subjective tests following vision training but few have objectively measured accommodation before and after training in either normal subjects or in patients diagnosed with accommodative infacility (abnormally slow dynamics). Accommodation is driven either directly by blur or indirectly by way of neural crosslinks from the vergence system. Until now, no study has objectively measured both accommodation and accommodative-vergence before and after vision training and the role vergence might play in modifying the speed of accommodation. In the present study, accommodation and accommodative-vergence were measured with a Purkinje Eye Tracker/Optometer before and after normal subjects trained in a flipper-like task in which the stimulus stepped between 0 and 2.5 diopters and back for over 200 cycles. Most subjects increased their speed of accommodation as well as their speed of accommodative vergence. Accommodative vergence led the accommodation response by approximately 77 msec before training and 100 msec after training and the vergence lead was most prominent in subjects with high accommodation and vergence velocities and the vergence leads tended to increase in conjunction with increases in accommodation velocity. We surmise that volitional vergence may help increase accommodation velocity by way of vergence-accommodation cross links. PMID:22480879

  20. 77 FR 38833 - Job Accommodation Network

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-29

    ... From the Federal Register Online via the Government Publishing Office DEPARTMENT OF LABOR Job Accommodation Network AGENCY: Office of Disability Employment Policy, Department of Labor. Announcement Type... operate its Job Accommodation Network (JAN), a national technical assistance center that facilitates...

  1. 10 CFR 4.123 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... shall make reasonable accommodation to the known physical or mental limitations of an otherwise... applicant if the basis for denial is the need to make reasonable accommodation to the physical or...

  2. Modal Identification Experiment accommodations review

    NASA Technical Reports Server (NTRS)

    Klich, Phillip J.; Stillwagen, Frederic H.; Mutton, Philip

    1994-01-01

    The Modal Identification Experiment (MIE) will monitor the structure of the Space Station Freedom (SSF), and measure its response to a sequence of induced disturbances. The MIE will determine the frequency, damping, and shape of the important modes during the SSF assembly sequence including the Permanently Manned Configuration. This paper describes the accommodations for the proposed instrumentation, the data processing hardware, and the communications data rates. An overview of the MIE operational modes for measuring SSF acceleration forces with accelerometers is presented. The SSF instrumentation channel allocations and the Data Management System (DMS) services required for MIE are also discussed.

  3. WP-2 attached payload accommodations

    NASA Technical Reports Server (NTRS)

    Scheib, Jim

    1992-01-01

    The presentation provides an overview of the current SSFP attached payload accommodations on the U.S. truss. The overview includes discussions on the four attach sites, the power architecture, thermal control, DMS provisions, and the mechanical attach mechanism. The presentation concludes with a description of a McDonnell Douglas concept for an attached payload pallet designed to take advantage of the four sites and existing SSF hardware. This presentation should provide the payload community with a basic understanding of the SSF attached payload utility ports and aid in attached payload concept development.

  4. Physics of Molecules

    NASA Astrophysics Data System (ADS)

    Williams, D.; Murdin, P.

    2000-11-01

    Many varieties of molecule have been detected in the Milky Way and in other galaxies. The processes by which these molecules are formed and destroyed are now broadly understood (see INTERSTELLAR CHEMISTRY). These molecules are important components of galaxies in two ways. Firstly, radiation emitted by molecules enables us to trace the presence of diffuse gas, to infer its physical properties and ...

  5. 14 CFR 1251.201 - Reasonable accommodation.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 5 2012-01-01 2012-01-01 false Reasonable accommodation. 1251.201 Section 1251.201 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION NONDISCRIMINATION ON BASIS OF HANDICAP Employment Practices § 1251.201 Reasonable accommodation. (a) A recipient shall make reasonable accommodation to the known physical...

  6. 14 CFR 1251.201 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Reasonable accommodation. 1251.201 Section 1251.201 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION NONDISCRIMINATION ON BASIS OF HANDICAP Employment Practices § 1251.201 Reasonable accommodation. (a) A recipient shall make reasonable accommodation to the known physical...

  7. 46 CFR 108.143 - Accommodation space.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 4 2010-10-01 2010-10-01 false Accommodation space. 108.143 Section 108.143 Shipping... EQUIPMENT Construction and Arrangement Structural Fire Protection § 108.143 Accommodation space. (a) Each corridor bulkhead in an accommodation space must be an A class or B class bulkhead except if an A...

  8. Advanced Solar Observatory (ASO) accommodations requirements study

    NASA Technical Reports Server (NTRS)

    1989-01-01

    Results of an accommodations analysis for the Advanced Solar Observatory on Space Station Freedom are reported. Concepts for the High Resolution Telescope Cluster, Pinhole/Occulter Facility, and High Energy Cluster were developed which can be accommodated on Space Station Freedom. It is shown that workable accommodations concepts are possible. Areas of emphasis for the next stage of engineering development are identified.

  9. 46 CFR 108.143 - Accommodation space.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 4 2013-10-01 2013-10-01 false Accommodation space. 108.143 Section 108.143 Shipping... EQUIPMENT Construction and Arrangement Structural Fire Protection § 108.143 Accommodation space. (a) Each corridor bulkhead in an accommodation space must be an A class or B class bulkhead except if an A...

  10. 46 CFR 108.143 - Accommodation space.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 4 2012-10-01 2012-10-01 false Accommodation space. 108.143 Section 108.143 Shipping... EQUIPMENT Construction and Arrangement Structural Fire Protection § 108.143 Accommodation space. (a) Each corridor bulkhead in an accommodation space must be an A class or B class bulkhead except if an A...

  11. 46 CFR 108.143 - Accommodation space.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 4 2014-10-01 2014-10-01 false Accommodation space. 108.143 Section 108.143 Shipping... EQUIPMENT Construction and Arrangement Structural Fire Protection § 108.143 Accommodation space. (a) Each corridor bulkhead in an accommodation space must be an A class or B class bulkhead except if an A...

  12. 46 CFR 177.810 - Overnight accommodations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 7 2010-10-01 2010-10-01 false Overnight accommodations. 177.810 Section 177.810... TONS) CONSTRUCTION AND ARRANGEMENT Passenger Accommodations § 177.810 Overnight accommodations. (a) A.... Each berth must measure at least 1,880 millimeters (74 inches) by 610 millimeters (24 inches) and...

  13. 46 CFR 108.143 - Accommodation space.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 4 2011-10-01 2011-10-01 false Accommodation space. 108.143 Section 108.143 Shipping... EQUIPMENT Construction and Arrangement Structural Fire Protection § 108.143 Accommodation space. (a) Each corridor bulkhead in an accommodation space must be an A class or B class bulkhead except if an A...

  14. Interstellar molecules

    NASA Astrophysics Data System (ADS)

    Smith, D.

    1987-09-01

    Some 70 different molecular species have so far been detected variously in diffuse interstellar clouds, dense interstellar clouds, and circumstellar shells. Only simple (diatomic and triatomic) species exist in diffuse clouds because of the penetration of destructive UV radiations, whereas more complex (polyatomic) molecules survive in dense clouds as a result of the shielding against this UV radiation provided by dust grains. A current list of interstellar molecules is given together with a few other molecular species that have so far been detected only in circumstellar shells. Also listed are those interstellar species that contain rare isotopes of several elements. The gas phase ion chemistry is outlined via which the observed molecules are synthesized, and the process by which enrichment of the rare isotopes occurs in some interstellar molecules is described.

  15. Soyuz/ACRV accommodation study

    NASA Technical Reports Server (NTRS)

    Cruz, Jonathan; Gould, Marston J.; Dahlstrom, Eric

    1993-01-01

    Included is a set of viewgraphs that present the results of a study conducted at the LaRC Space Station Freedom Office at the request of the Space Station Freedom Level 1 Program Office and the JSC ACRV Project Office to determine the implications of accommodating two Soyuz TM spacecraft as Assured Crew Return Vehicles (ACRV) on the Space Station Freedom (SSF) at the Permanently Crewed Capability (PCC) stage. The study examined operational as well as system issues associated with the accommodation of the Soyuz for several potential configuration options. Operational issues considered include physical hardware clearances, worst case Soyuz departure paths, and impacts to baseline operations such as Pressurized Logistics Module (PLM) exchange, Space Station Remote Manipulator System (SSRMS) attachment, Extravehicular Activity (EVA), and automatic rendezvous and docking (AR&D). Systems impact analysis included determining differences between Soyuz interface requirements and SSF capabilities for the Electrical Power System (EPS), Thermal Control System (TCS), Communications and Tracking (C&T), Audio-Video Subsystem (A/V), Data Management System (DMS), and Environmental Control and Life Support System (ECLSS). Significant findings of this study have indicated that the current AV capability of the Soyuz will need to be increased to provide adequate departure clearances for a worst case escape from an uncontrolled SSF and that an interface element will be required to mate the Soyuz vehicles to station, provide for AR&D structural loads, and to house Soyuz-to-SSF system interfaces.

  16. Radial diffusion and penetration of gas molecules and aerosol particles through laminar flow reactors, denuders, and sampling tubes.

    PubMed

    Knopf, Daniel A; Pöschl, Ulrich; Shiraiwa, Manabu

    2015-04-01

    Flow reactors, denuders, and sampling tubes are essential tools for many applications in analytical and physical chemistry and engineering. We derive a new method for determining radial diffusion effects and the penetration or transmission of gas molecules and aerosol particles through cylindrical tubes under laminar flow conditions using explicit analytical equations. In contrast to the traditional Brown method [Brown, R. L. J. Res. Natl. Bur. Stand. (U. S.) 1978, 83, 1-8] and CKD method (Cooney, D. O.; Kim, S. S.; Davis, E. J. Chem. Eng. Sci. 1974, 29, 1731-1738), the new approximation developed in this study (known as the KPS method) does not require interpolation or numerical techniques. The KPS method agrees well with the CKD method under all experimental conditions and also with the Brown method at low Sherwood numbers. At high Sherwood numbers corresponding to high uptake on the wall, flow entry effects become relevant and are considered in the KPS and CKD methods but not in the Brown method. The practical applicability of the KPS method is demonstrated by analysis of measurement data from experimental studies of rapid OH, intermediate NO3, and slow O3 uptake on various organic substrates. The KPS method also allows determination of the penetration of aerosol particles through a tube, using a single equation to cover both the limiting cases of high and low deposition described by Gormley and Kennedy (Proc. R. Ir. Acad., Sect. A. 1949, 52A, 163-169). We demonstrate that the treatment of gas and particle diffusion converges in the KPS method, thus facilitating prediction of diffusional loss and penetration of gases and particles, analysis of chemical kinetics data, and design of fluid reactors, denuders, and sampling lines. PMID:25744622

  17. The gas phase ion/molecule chemistry of four carbanions generated from vinylene carbonate and its methyl and dimethyl derivatives

    NASA Astrophysics Data System (ADS)

    Robinson, Marin S.; Breitbeil, Fred W.

    1992-09-01

    The gas phase ion/molecule chemistry of four carbanions generated by the reaction of vinylene carbonate, and its methyl and dimethyl derivatives with hydroxide ion has been investigated. From the parent the sole product is the ketenyl anion, HC[triple bond; length as m-dash]C---O-, arising from vinylic proton abstraction and loss of CO2. From the dimethyl derivative, abstraction of an allylic proton from one of the methyl groups followed by loss of CO2 leads exclusively to CH2=CC(O)CH3. Both pathways are observed for the monomethyl derivative, leading to a mixture of the ions CH3C[triple bond; length as m-dash]C---O- and CH2=CCHO. The ketenyl and methyl ketenyl ions do not exchange hydrogen for deuterium with D2O or CH3OD, but they do react with CS2 and COS to form the corresponding thioketenyl anions, HC[triple bond; length as m-dash]C---S- and CH3C=C---S-. The ions CH2=CC(O)CH3 and CH2=CCHO exchange one and three hydrogen atoms for deuterium atoms with D2O respectively, and react with CS2 to form thioketenyl anions by addition and loss of thioformaldehyde. Possible mechanisms for these reactions are discussed.

  18. Volume shrinkage of a metal-organic framework host induced by the dispersive attraction of guest gas molecules.

    PubMed

    Joo, Jaeyong; Kim, Hyungjun; Han, Sang Soo

    2013-11-21

    Using a density functional theory calculation including van der Waals (vdW) corrections, we report that H2 adsorption in a cubic-crystalline microporous metal-organic framework (MOF-5) leads to volume shrinkage, which is in contrast to the intuition that gas adsorption in a confined system (e.g., pores in a material) increases the internal pressure and then leads to volumetric expansion. This extraordinary phenomenon is closely related to the vdW interactions between MOF and H2 along with the H2-H2 interaction, rather than the Madelung-type electrostatic interaction. At low temperatures, H2 molecules adsorbed in the MOF-5 form highly symmetrical interlinked nanocages that change from a cube-like shape to a sphere-like shape with H2 loading, helping to exert centrosymmetric forces and hydrostatic (volumetric) stresses from the collection of dispersive interactions. The generated internal negative stress is sufficient to overcome the stiffness of the MOF-5 which is a soft material with a low bulk modulus (15.54 GPa). PMID:24072185

  19. Vestibular-ocular accommodation reflex in man

    NASA Technical Reports Server (NTRS)

    Clark, B.; Randle, R. J.; Stewart, J. D.

    1975-01-01

    Stimulation of the vestibular system by angular acceleration produces widespread sensory and motor effects. The present paper studies a motor effect which has not been reported in the literature, i.e., the influence of rotary acceleration of the body on ocular accommodation. The accommodation of 10 young men was recorded before and after a high-level deceleration to zero velocity following 30 sec of rotating. Accommodation was recorded continuously on an infrared optometer for 110 sec under two conditions: while the subjects observed a target set at the far point, and while they viewed the same target through a 0.3-mm pinhole. Stimulation by high-level rotary deceleration produced positive accommodation or a pseudomyopia under both conditions, but the positive accommodation was substantially greater and lasted much longer during fixation through the pinhole. It is hypothesized that this increase in accommodation is a result of a vestibular-ocular accommodation reflex.

  20. Telemedicine for AIDS patients accommodations.

    PubMed Central

    Kulik, J. F.; de la Tribonnière, X.; Bricon-Souf, N.; Beuscart, R. J.; Mouton, Y.

    1997-01-01

    People suffering from AIDS are subject to frequent hospitalisations. In some cases, they cannot go back home after hospitalisations, due to severe illness, family or sociologic problems. This is the reason why some therapeutic flats are at their disposal to make easier their medical follow-up after the hospital's discharge. In these Therapy Accommodation, they are treated by trained GP who often suffer from lack of information and lack of expertise in difficult cases. For this purpose we included these flats in the regional Telemedicine AIDS network to give these physicians free access to the computerised multimedia medical record of their patients and to provide them with synchronous co-operation facilities. PMID:9357652

  1. Mechanism of charge transfer and its impacts on Fermi-level pinning for gas molecules adsorbed on monolayer WS{sub 2}

    SciTech Connect

    Zhou, Changjie; Zhu, Huili; Yang, Weihuang

    2015-06-07

    Density functional theory calculations were performed to assess changes in the geometric and electronic structures of monolayer WS{sub 2} upon adsorption of various gas molecules (H{sub 2}, O{sub 2}, H{sub 2}O, NH{sub 3}, NO, NO{sub 2}, and CO). The most stable configuration of the adsorbed molecules, the adsorption energy, and the degree of charge transfer between adsorbate and substrate were determined. All evaluated molecules were physisorbed on monolayer WS{sub 2} with a low degree of charge transfer and accept charge from the monolayer, except for NH{sub 3}, which is a charge donor. Band structure calculations showed that the valence and conduction bands of monolayer WS{sub 2} are not significantly altered upon adsorption of H{sub 2}, H{sub 2}O, NH{sub 3}, and CO, whereas the lowest unoccupied molecular orbitals of O{sub 2}, NO, and NO{sub 2} are pinned around the Fermi-level when these molecules are adsorbed on monolayer WS{sub 2}. The phenomenon of Fermi-level pinning was discussed in light of the traditional and orbital mixing charge transfer theories. The impacts of the charge transfer mechanism on Fermi-level pinning were confirmed for the gas molecules adsorbed on monolayer WS{sub 2}. The proposed mechanism governing Fermi-level pinning is applicable to the systems of adsorbates on recently developed two-dimensional materials, such as graphene and transition metal dichalcogenides.

  2. Dynamic terahertz spectroscopy of gas molecules mixed with unwanted aerosol under atmospheric pressure using fibre-based asynchronous-optical-sampling terahertz time-domain spectroscopy

    PubMed Central

    Hsieh, Yi-Da; Nakamura, Shota; Abdelsalam, Dahi Ghareab; Minamikawa, Takeo; Mizutani, Yasuhiro; Yamamoto, Hirotsugu; Iwata, Tetsuo; Hindle, Francis; Yasui, Takeshi

    2016-01-01

    Terahertz (THz) spectroscopy is a promising method for analysing polar gas molecules mixed with unwanted aerosols due to its ability to obtain spectral fingerprints of rotational transition and immunity to aerosol scattering. In this article, dynamic THz spectroscopy of acetonitrile (CH3CN) gas was performed in the presence of smoke under the atmospheric pressure using a fibre-based, asynchronous-optical-sampling THz time-domain spectrometer. To match THz spectral signatures of gas molecules at atmospheric pressure, the spectral resolution was optimized to 1 GHz with a measurement rate of 1 Hz. The spectral overlapping of closely packed absorption lines significantly boosted the detection limit to 200 ppm when considering all the spectral contributions of the numerous absorption lines from 0.2 THz to 1 THz. Temporal changes of the CH3CN gas concentration were monitored under the smoky condition at the atmospheric pressure during volatilization of CH3CN droplets and the following diffusion of the volatilized CH3CN gas without the influence of scattering or absorption by the smoke. This system will be a powerful tool for real-time monitoring of target gases in practical applications of gas analysis in the atmospheric pressure, such as combustion processes or fire accident. PMID:27301319

  3. Dynamic terahertz spectroscopy of gas molecules mixed with unwanted aerosol under atmospheric pressure using fibre-based asynchronous-optical-sampling terahertz time-domain spectroscopy

    NASA Astrophysics Data System (ADS)

    Hsieh, Yi-Da; Nakamura, Shota; Abdelsalam, Dahi Ghareab; Minamikawa, Takeo; Mizutani, Yasuhiro; Yamamoto, Hirotsugu; Iwata, Tetsuo; Hindle, Francis; Yasui, Takeshi

    2016-06-01

    Terahertz (THz) spectroscopy is a promising method for analysing polar gas molecules mixed with unwanted aerosols due to its ability to obtain spectral fingerprints of rotational transition and immunity to aerosol scattering. In this article, dynamic THz spectroscopy of acetonitrile (CH3CN) gas was performed in the presence of smoke under the atmospheric pressure using a fibre-based, asynchronous-optical-sampling THz time-domain spectrometer. To match THz spectral signatures of gas molecules at atmospheric pressure, the spectral resolution was optimized to 1 GHz with a measurement rate of 1 Hz. The spectral overlapping of closely packed absorption lines significantly boosted the detection limit to 200 ppm when considering all the spectral contributions of the numerous absorption lines from 0.2 THz to 1 THz. Temporal changes of the CH3CN gas concentration were monitored under the smoky condition at the atmospheric pressure during volatilization of CH3CN droplets and the following diffusion of the volatilized CH3CN gas without the influence of scattering or absorption by the smoke. This system will be a powerful tool for real-time monitoring of target gases in practical applications of gas analysis in the atmospheric pressure, such as combustion processes or fire accident.

  4. Dynamic terahertz spectroscopy of gas molecules mixed with unwanted aerosol under atmospheric pressure using fibre-based asynchronous-optical-sampling terahertz time-domain spectroscopy.

    PubMed

    Hsieh, Yi-Da; Nakamura, Shota; Abdelsalam, Dahi Ghareab; Minamikawa, Takeo; Mizutani, Yasuhiro; Yamamoto, Hirotsugu; Iwata, Tetsuo; Hindle, Francis; Yasui, Takeshi

    2016-01-01

    Terahertz (THz) spectroscopy is a promising method for analysing polar gas molecules mixed with unwanted aerosols due to its ability to obtain spectral fingerprints of rotational transition and immunity to aerosol scattering. In this article, dynamic THz spectroscopy of acetonitrile (CH3CN) gas was performed in the presence of smoke under the atmospheric pressure using a fibre-based, asynchronous-optical-sampling THz time-domain spectrometer. To match THz spectral signatures of gas molecules at atmospheric pressure, the spectral resolution was optimized to 1 GHz with a measurement rate of 1 Hz. The spectral overlapping of closely packed absorption lines significantly boosted the detection limit to 200 ppm when considering all the spectral contributions of the numerous absorption lines from 0.2 THz to 1 THz. Temporal changes of the CH3CN gas concentration were monitored under the smoky condition at the atmospheric pressure during volatilization of CH3CN droplets and the following diffusion of the volatilized CH3CN gas without the influence of scattering or absorption by the smoke. This system will be a powerful tool for real-time monitoring of target gases in practical applications of gas analysis in the atmospheric pressure, such as combustion processes or fire accident. PMID:27301319

  5. Selective detection of toxic cyanogen gas in the presence of O2, and H2O molecules using a AlN nanocluster

    NASA Astrophysics Data System (ADS)

    Solimannejad, Mohammad; Kamalinahad, Saeedeh; Shakerzadeh, Ehsan

    2016-08-01

    The interaction of cyanogen molecule with Al12N12 nanocage has been studied using density functional theory (DFT) at CAM-B3LYP/6-31+G(d) level. Geometric, electronic structure and natural bond orbitals (NBO) analysis display that adsorption of cyanogen onto exterior surface of Al12N12 is physisorption with adsorption energy (Eads) equal to -55.36 kJ/mol. UV-vis study shows a high intensity peak in 388.9 nm due to interaction of gas with nanocage. It is expected that Al12N12 will be used in designing novel materials for potential applications to detect toxic cyanogen molecule.

  6. Gas-phase ion-molecule reactions for resolution of atomic isobars: AMS and ICP-MS perspectives

    NASA Astrophysics Data System (ADS)

    Bandura, Dmitry R.; Baranov, Vladimir I.; Litherland, A. E.; Tanner, Scott D.

    2006-09-01

    Ion-molecule reactions that can be used for resolution of spectral overlaps of long-lived or stable (T1/2 > 100 years) atomic isobars on the long-lived radio-isotopes (100 < T1/2 < 1012 years) in mass spectrometry are considered. Results for the separations of isobaric overlaps via cation reactions with NO, N2O, O2, CO2, C2H2, CH3F studied with the Inductively Coupled Plasma Dynamic Reaction Cell(TM) Mass Spectrometer (ICP-DRC(TM)-MS) with use of stable isotopes are presented. Overview of potential and reported reactions for separation of 35 isobars is given. Potential for the following isobaric pairs separation is shown (reaction gas and the extent of separation achieved to date in parenthesis): 32Si+/32S+(NO, 5 x 104), 40K+/40Ar+(N2O, 1.9 x 103), 40K+/40Ca+(N2O, 50), 59Ni+/59Co+(N2O, 6), 79Se+/79Br+(O2, 7.2 x 103), 81Kr+/81Br+(C2H2, 1.5 x 104), 93Mo+/93Nb+(N2O, 100), 93Mo+/93Zr+(N2O, 150), 135Cs+/135Ba+(N2O, 8 x 104), 137,138La+/137,138Ba+(O2, 40), 146Sm+/146Nd+(CO2, 1.5 x 105), 176Lu+/176Hf+(NO, 2.8 x 103), 187Re+/187Os+(N2O, 2.8 x 104). Effect of instrumental parameters on reactivity is discussed. The relevance of this work to accelerator mass spectrometry is discussed briefly.

  7. Payload accommodations. Satellite servicing support

    NASA Technical Reports Server (NTRS)

    Lee, Roscoe

    1990-01-01

    The proposed technology studies discussed at the Space Transportation Avionics Symposium in Williamsburg, VA on 7 to 9 November 1989, are discussed. The discussions and findings of the Payload Accommodations Subpanel are also summarized. The major objective of the proposed focused technology development is to develop and demonstrate (ground and flight) autonomous rendezvous, proximity operations, and docking/berthing capabilities to support satellite servicing. It is expected that autonomous rendezvous and docking (AR and D) capabilities will benefit both the users (e.g., satellite developers and operators) and the transportation system developers and operators. AR and D will provide increased availability of rendezvous and docking services by reducing the operational constraints associated with current capabilities. These constraints include specific lighting conditions, continuous space-to-ground communications, and lengthy ground tracking periods. AR and D will provide increased cost efficiency with the potential for reduced propellant expenditures and workloads (flight and/or ground crews). The AR and D operations will be more consistent, allowing more flexibility in the design of the satellite control system and docking/berthing mechanisms.

  8. Uniformity of accommodation across the visual field.

    PubMed

    Liu, Tao; Sreenivasan, Vidhyapriya; Thibos, Larry N

    2016-01-01

    We asked the question: Does accommodation change the eye's focusing power equally over the central visual field in emmetropic and myopic adult eyes? To answer this question we modified our laboratory scanning wavefront aberrometer to rapidly measure ocular refractive state over the central 30° diameter of visual field as a function of foveal accommodative demand. On average, ocular refractive state changed uniformly over the central visual field as the eye accommodated up to 6 D. Visual field maps of accommodative error (relative to a spherical target surface of constant vergence) reveal subtle patterns of deviation on the order of ± 0.5 D that are unique to the individual and relatively invariant to changes in accommodative state. Population mean maps for accommodative error are remarkably uniform across the central visual field, indicating the retina of the hypothetical "average eye" is conjugate to a sphere of constant target vergence for all states of accommodation, even though individual eyes might deviate from the mean due to random variations. No systematic difference between emmetropic and myopic eyes was evident. Since accuracy of accommodation across the central visual field is similar to that measured in the fovea, loss of image quality due to accommodative errors, which potentially drives myopia and may affect many aspects of visual function, will be similar across the central retina. PMID:26842859

  9. An experimental assembly for precise measurement of thermal accommodation coefficients.

    PubMed

    Trott, Wayne M; Castañeda, Jaime N; Torczynski, John R; Gallis, Michael A; Rader, Daniel J

    2011-03-01

    An experimental apparatus has been developed to determine thermal accommodation coefficients for a variety of gas-surface combinations. Results are obtained primarily through measurement of the pressure dependence of the conductive heat flux between parallel plates separated by a gas-filled gap. Measured heat-flux data are used in a formula based on Direct Simulation Monte Carlo (DSMC) simulations to determine the coefficients. The assembly also features a complementary capability for measuring the variation in gas density between the plates using electron-beam fluorescence. Surface materials examined include 304 stainless steel, gold, aluminum, platinum, silicon, silicon nitride, and polysilicon. Effects of gas composition, surface roughness, and surface contamination have been investigated with this system; the behavior of gas mixtures has also been explored. Without special cleaning procedures, thermal accommodation coefficients for most materials and surface finishes were determined to be near 0.95, 0.85, and 0.45 for argon, nitrogen, and helium, respectively. Surface cleaning by in situ argon-plasma treatment reduced coefficient values by up to 0.10 for helium and by ∼0.05 for nitrogen and argon. Results for both single-species and gas-mixture experiments compare favorably to DSMC simulations. PMID:21456801

  10. Synthesis of Pure and N-substituted Cyclic Hydrocarbons (e.g. Pyrimidine) via Gas-Phase Ion-Molecule Reactions

    NASA Astrophysics Data System (ADS)

    Bera, Partha P.; Peverati, Roberto; Head-Gordon, Martin; Lee, Timothy J.

    2015-08-01

    Large polyatomic carbonaceous molecules, known as polycyclic aromatic hydrocarbons, are known to exist in the outflows of carbon stars. How these large polyatomic molecules are synthesized in such exotic conditions is, thus far, unknown. Molecular ions, including positive and negative ions, are in relative abundance in the high radiation fields present under such conditions. Hence, barrierless ion-molecule interactions may play a major role in guiding molecules towards each other and initiating reactions. We study these condensation pathways to determine whether they are a viable means of forming large pure hydrocarbon molecules, and nitrogen-containing carbonaceous chains, stacks, and even cyclic compounds. By employing accurate quantum chemical methods we have investigated the processes of growth, structures, nature of bonding, mechanisms, and spectroscopic properties of the ensuing ionic products after pairing small carbon, hydrogen, and nitrogen-containing molecules. We have also studied the ion-neutral association pathways involving pure-carbon molecules e.g. acetylene, ethylene and other hydrocarbons, and their dissociation fragments in a plasma discharge as well as how nitrogen atoms are incorporated into the carbon ring during growth. Specifically, we explored the mechanisms by which the synthesis of pyrimidine will be feasible in the gas phase in conjunction with ion-mobility experiments. We have used accurate ab initio coupled cluster theory, Møller-Plesset and Z-averaged perturbation theories, density functional theory, and coupled cluster theory quantum chemical methods together with large correlation consistent basis sets in these investigations. We found that a series of hydrocarbons with a specific stoichiometric composition prefers cyclic molecule formation rather than chains. Some of the association products we investigated have large oscillator strengths for charge-transfer type electronic excitations in the near infrared and visible regions of

  11. 22 CFR 217.12 - Reasonable accommodation.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 22 Foreign Relations 1 2011-04-01 2011-04-01 false Reasonable accommodation. 217.12 Section 217.12 Foreign Relations AGENCY FOR INTERNATIONAL DEVELOPMENT NONDISCRIMINATION ON THE BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices § 217.12 Reasonable accommodation. (a) A recipient shall...

  12. 22 CFR 142.12 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 22 Foreign Relations 1 2010-04-01 2010-04-01 false Reasonable accommodation. 142.12 Section 142.12 Foreign Relations DEPARTMENT OF STATE CIVIL RIGHTS NONDISCRIMINATION ON THE BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices § 142.12 Reasonable accommodation. (a) A recipient shall...

  13. 22 CFR 142.12 - Reasonable accommodation.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 22 Foreign Relations 1 2011-04-01 2011-04-01 false Reasonable accommodation. 142.12 Section 142.12 Foreign Relations DEPARTMENT OF STATE CIVIL RIGHTS NONDISCRIMINATION ON THE BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices § 142.12 Reasonable accommodation. (a) A recipient shall...

  14. 7 CFR 15b.13 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 1 2010-01-01 2010-01-01 false Reasonable accommodation. 15b.13 Section 15b.13 Agriculture Office of the Secretary of Agriculture NONDISCRIMINATION ON THE BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices § 15b.13 Reasonable accommodation. (a) A recipient shall make...

  15. 43 CFR 17.211 - Reasonable accommodation.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 43 Public Lands: Interior 1 2014-10-01 2014-10-01 false Reasonable accommodation. 17.211 Section 17.211 Public Lands: Interior Office of the Secretary of the Interior NONDISCRIMINATION IN FEDERALLY ASSISTED PROGRAMS OF THE DEPARTMENT OF THE INTERIOR Nondiscrimination on the Basis of Handicap § 17.211 Reasonable accommodation. (a) A...

  16. 22 CFR 142.12 - Reasonable accommodation.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 22 Foreign Relations 1 2013-04-01 2013-04-01 false Reasonable accommodation. 142.12 Section 142.12 Foreign Relations DEPARTMENT OF STATE CIVIL RIGHTS NONDISCRIMINATION ON THE BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices § 142.12 Reasonable accommodation. (a) A recipient shall...

  17. 45 CFR 84.12 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 45 Public Welfare 1 2010-10-01 2010-10-01 false Reasonable accommodation. 84.12 Section 84.12 Public Welfare DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL ADMINISTRATION NONDISCRIMINATION ON THE BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices § 84.12 Reasonable accommodation. (a)...

  18. 22 CFR 217.12 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 22 Foreign Relations 1 2010-04-01 2010-04-01 false Reasonable accommodation. 217.12 Section 217.12 Foreign Relations AGENCY FOR INTERNATIONAL DEVELOPMENT NONDISCRIMINATION ON THE BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices § 217.12 Reasonable accommodation. (a) A recipient shall...

  19. 45 CFR 84.12 - Reasonable accommodation.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 45 Public Welfare 1 2012-10-01 2012-10-01 false Reasonable accommodation. 84.12 Section 84.12 Public Welfare DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL ADMINISTRATION NONDISCRIMINATION ON THE BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices § 84.12 Reasonable accommodation. (a)...

  20. 22 CFR 142.12 - Reasonable accommodation.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 22 Foreign Relations 1 2014-04-01 2014-04-01 false Reasonable accommodation. 142.12 Section 142.12 Foreign Relations DEPARTMENT OF STATE CIVIL RIGHTS NONDISCRIMINATION ON THE BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices § 142.12 Reasonable accommodation. (a) A recipient shall...

  1. 43 CFR 17.211 - Reasonable accommodation.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 43 Public Lands: Interior 1 2012-10-01 2011-10-01 true Reasonable accommodation. 17.211 Section 17.211 Public Lands: Interior Office of the Secretary of the Interior NONDISCRIMINATION IN FEDERALLY ASSISTED PROGRAMS OF THE DEPARTMENT OF THE INTERIOR Nondiscrimination on the Basis of Handicap § 17.211 Reasonable accommodation. (a) A recipient...

  2. Validity of Accommodation for English Language Learners.

    ERIC Educational Resources Information Center

    Abedi, Jamal

    The focus of this study was on the validity and feasibility of test accommodation strategies on a small-scale level. Both limited English proficiency (LEP) students and non-LEP students were tested under accommodated and nonaccommodated conditions and their performance was compared. The study was conducted in two public school districts and at…

  3. Accommodation Outcomes and the ICF Framework

    ERIC Educational Resources Information Center

    Schreuer, Naomi

    2009-01-01

    Accommodation of the environment and technology is one of the key mediators of adjustment to disability and participation in community. In this article, accommodations are tested empirically as facilitators of return to work and participation, as defined by the "International Classification of Disability, Function, and Health" (ICF) and the…

  4. 50 CFR 260.101 - Lavatory accommodations.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... toilet accommodations, including, but not being limited to, running hot water (135 °F. or more) and cold water, soap, and single service towels, shall be provided. Such accommodations shall be in or near... which provides an adequate flow of water for washing hands. (d) Durable signs shall be...

  5. Test Accommodations for LEP Students. ERIC Digest.

    ERIC Educational Resources Information Center

    Stansfield, Charles; Rivera, Charlene

    This digest presents an overview of accommodations for students of limited English proficiency (LEP) and an overview of inclusion practices on statewide assessments, with emphasis on the accommodation known as linguistic simplification. The inclusion of LEP students in statewide testing programs over the last decade has been uneven. In the…

  6. 46 CFR 169.317 - Accommodations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 7 2010-10-01 2010-10-01 false Accommodations. 169.317 Section 169.317 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) NAUTICAL SCHOOLS SAILING SCHOOL VESSELS Construction and Arrangement Living Spaces § 169.317 Accommodations. (a) Quarters must have sufficient fresh...

  7. 46 CFR 169.317 - Accommodations.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 7 2012-10-01 2012-10-01 false Accommodations. 169.317 Section 169.317 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) NAUTICAL SCHOOLS SAILING SCHOOL VESSELS Construction and Arrangement Living Spaces § 169.317 Accommodations. (a) Quarters must have sufficient fresh...

  8. 46 CFR 169.317 - Accommodations.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 7 2011-10-01 2011-10-01 false Accommodations. 169.317 Section 169.317 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) NAUTICAL SCHOOLS SAILING SCHOOL VESSELS Construction and Arrangement Living Spaces § 169.317 Accommodations. (a) Quarters must have sufficient fresh...

  9. 46 CFR 169.317 - Accommodations.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 7 2013-10-01 2013-10-01 false Accommodations. 169.317 Section 169.317 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) NAUTICAL SCHOOLS SAILING SCHOOL VESSELS Construction and Arrangement Living Spaces § 169.317 Accommodations. (a) Quarters must have sufficient fresh...

  10. 46 CFR 169.317 - Accommodations.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 7 2014-10-01 2014-10-01 false Accommodations. 169.317 Section 169.317 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) NAUTICAL SCHOOLS SAILING SCHOOL VESSELS Construction and Arrangement Living Spaces § 169.317 Accommodations. (a) Quarters must have sufficient fresh...

  11. 46 CFR 177.710 - Overnight accommodations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 7 2010-10-01 2010-10-01 false Overnight accommodations. 177.710 Section 177.710 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SMALL PASSENGER VESSELS (UNDER 100 GROSS TONS) CONSTRUCTION AND ARRANGEMENT Crew Spaces § 177.710 Overnight accommodations....

  12. Accommodation Requests: Who Is Asking for What?

    ERIC Educational Resources Information Center

    Von Schrader, Sarah; Xu, Xu; Bruyère, Susanne M.

    2014-01-01

    Purpose: Workplace accommodations are central to improving employment outcomes for people with and without disabilities; this study presents national estimates comparing accommodation requests and receipt as reported by individuals with and without disabilities. Method: Estimates are developed from the May 2012 Current Population Survey Disability…

  13. Can current models of accommodation and vergence predict accommodative behavior in myopic children?

    PubMed

    Sreenivasan, Vidhyapriya; Irving, Elizabeth L; Bobier, William R

    2014-08-01

    Investigations into the progression of myopia in children have long considered the role of accommodation as a cause and solution. Myopic children show high levels of accommodative adaptation, coupled with accommodative lag and high response AC/A (accommodative convergence per diopter of accommodation). This pattern differs from that predicted by current models of interaction between accommodation and vergence, where weakened reflex responses and a high AC/A would be associated with a low not high levels of accommodative adaptation. However, studies of young myopes were limited to only part of the accommodative vergence synkinesis and the reciprocal components of vergence adaptation and convergence accommodation were not studied in tandem. Accordingly, we test the hypothesis that the accommodative behavior of myopic children is not predicted by current models and whether that departure is explained by differences in the accommodative plant of the myopic child. Responses to incongruent stimuli (-2D, +2D adds, 10 prism diopter base-out prism) were investigated in 28 myopic and 25 non-myopic children aged 7-15 years. Subjects were divided into phoria groups - exo, ortho and eso based upon their near phoria. The school aged myopes showed high levels of accommodative adaptation but with reduced accommodation and high AC/A. This pattern is not explained by current adult models and could reflect a sluggish gain of the accommodative plant (ciliary muscle and lens), changes in near triad innervation or both. Further, vergence adaptation showed a predictable reciprocal relationship with the high accommodative adaptation, suggesting that departures from adult models were limited to accommodation not vergence behavior. PMID:24954685

  14. Neutral gas temperature measurements of high-power-density fluorocarbon plasmas by fitting swan bands of C{sub 2} molecules

    SciTech Connect

    Bai Bo; Sawin, Herbert H.; Cruden, Brett A.

    2006-01-01

    The neutral gas temperature of fluorocarbon plasmas in a remote toroidal transformer-coupled source was measured to be greater than 5000 K, under the conditions of a power density greater than 15 W/cm{sup 3} and pressures above 2 torr. The rovibrational bands of C{sub 2} molecules (swan bands, d {sup 3}{pi}{sub g}{yields}a {sup 3}{pi}{sub u}) were fitted to obtain the rotational temperature that was assumed to equal the translational temperature. This rotational-translational temperature equilibrium assumption was supported by the comparison with the rotational temperature of second positive system of added N{sub 2}. For the same gas mixture, the neutral gas temperature is nearly a linear function of plasma power, since the conduction to chamber wall and convection are the major energy-loss processes, and they are both proportional to neutral gas temperature. The dependence of the neutral gas temperature on O{sub 2} flow rate and pressure can be well represented through the power dependence, under the condition of constant current operation. An Arrhenius type of dependence between the etching rate of oxide film and the neutral gas temperature is observed, maybe indicating the importance of the pyrolytic dissociation in the plasma formation process when the temperature is above 5000 K.

  15. Accommodation to Wavefront Vergence and Chromatic Aberration

    PubMed Central

    Wang, Yinan; Kruger, Philip B.; Li, James S.; Lin, Peter L.; Stark, Lawrence R.

    2011-01-01

    Purpose Longitudinal chromatic aberration (LCA) provides a cue to accommodation with small pupils. However, large pupils increase monochromatic aberrations, which may obscure chromatic blur. In the present study, we examined the effect of pupil size and LCA on accommodation. Methods Accommodation was recorded by infrared optometer while observers (nine normal trichromats) viewed a sinusoidally moving Maltese cross target in a Badal stimulus system. There were two illumination conditions: white (3000 K; 20 cd/m2) and monochromatic (550 nm with 10 nm bandwidth; 20 cd/m2) and two artificial pupil conditions (3 mm and 5.7 mm). Separately, static measurements of wavefront aberration were made with the eye accommodating to targets between 0 and 4 D (COAS, Wavefront Sciences). Results Large individual differences in accommodation to wavefront vergence and to LCA are a hallmark of accommodation. LCA continues to provide a signal at large pupil sizes despite higher levels of monochromatic aberrations. Conclusions Monochromatic aberrations may defend against chromatic blur at high spatial frequencies, but accommodation responds best to optical vergence and to LCA at 3 c/deg where blur from higher order aberrations is less. PMID:21317666

  16. Accommodative Performance of Children With Unilateral Amblyopia

    PubMed Central

    Manh, Vivian; Chen, Angela M.; Tarczy-Hornoch, Kristina; Cotter, Susan A.; Candy, T. Rowan

    2015-01-01

    Purpose. The purpose of this study was to compare the accommodative performance of the amblyopic eye of children with unilateral amblyopia to that of their nonamblyopic eye, and also to that of children without amblyopia, during both monocular and binocular viewing. Methods. Modified Nott retinoscopy was used to measure accommodative performance of 38 subjects with unilateral amblyopia and 25 subjects with typical vision from 3 to 13 years of age during monocular and binocular viewing at target distances of 50, 33, and 25 cm. The relationship between accommodative demand and interocular difference (IOD) in accommodative error was assessed in each group. Results. The mean IOD in monocular accommodative error for amblyopic subjects across all three viewing distances was 0.49 diopters (D) (95% confidence interval [CI], ±1.12 D) in the 180° meridian and 0.54 D (95% CI, ±1.27 D) in the 90° meridian, with the amblyopic eye exhibiting greater accommodative errors on average. Interocular difference in monocular accommodative error increased significantly with increasing accommodative demand; 5%, 47%, and 58% of amblyopic subjects had monocular errors in the amblyopic eye that fell outside the upper 95% confidence limit for the better eye of control subjects at viewing distances of 50, 33, and 25 cm, respectively. Conclusions. When viewing monocularly, children with unilateral amblyopia had greater mean accommodative errors in their amblyopic eyes than in their nonamblyopic eyes, and when compared with control subjects. This could lead to unintended retinal image defocus during patching therapy for amblyopia. PMID:25626970

  17. The electronic spectrum of CUONg4 (Ng = Ne, Ar, Kr, Xe): New insights in the interaction of the CUO molecule with noble gas matrices

    NASA Astrophysics Data System (ADS)

    Tecmer, Paweł; van Lingen, Henk; Gomes, André Severo Pereira; Visscher, Lucas

    2012-08-01

    The electronic spectrum of the CUO molecule was investigated with the IHFSCC-SD (intermediate Hamiltonian Fock-space coupled cluster with singles and doubles) method and with TD-DFT (time-dependent density functional theory) employing the PBE and PBE0 exchange-correlation functionals. The importance of both spin-orbit coupling and correlation effects on the low-lying excited-states of this molecule are analyzed and discussed. Noble gas matrix effects on the energy ordering and vibrational frequencies of the lowest electronic states of the CUO molecule were investigated with density functional theory (DFT) and TD-DFT in a supermolecular as well as a frozen density embedding (FDE) subsystem approach. This data is used to test the suitability of the FDE approach to model the influence of different matrices on the vertical electronic transitions of this molecule. The most suitable potential was chosen to perform relativistic wave function theory in density functional theory calculations to study the vertical electronic spectra of the CUO and CUONg4 with the IHFSCC-SD method.

  18. Effect of hydration on the organo-noble gas molecule HKrCCH: role of krypton in the stabilization of hydrated HKrCCH complexes.

    PubMed

    Biswas, Biswajit; Singh, Prashant Chandra

    2015-11-11

    The effect of hydration on the fluorine free organo-noble gas compound HKrCCH and the role of krypton in the stabilization of the hydrated HKrCCH complexes have been investigated using the quantum chemical calculations on the HKrCCH-(H2O)n=1-6 clusters. Structure and energetics calculations show that water stabilizes HKrCCH through the π hydrogen bond in which the OH group of water interacts with the C[triple bond, length as m-dash]C group of HKrCCH. A maximum of four water molecules can directly interact with the C[triple bond, length as m-dash]C of HKrCCH and after that only inter-hydrogen bonding takes place between the water molecules indicating that the primary hydration shell contains four water molecules. Atom in molecule analysis depicts that π hydrogen bonded complexes of the hydrated HKrCCH are cyclic structures in which the OKr interaction cooperates in the formation of strong O-HC[triple bond, length as m-dash]C interaction. Structure, energetics and charge analysis clearly established that krypton plays an important role in the stabilization as well as the formation of the primary hydration shell of hydrated HKrCCH complexes. PMID:26523809

  19. Pine Pyrolysis Vapor Phase Upgrading Over ZSM-5 Catalyst: Effect of Temperature, Hot Gas Filtration, and Hydrogen Donor Molecule on the Rate of Deactivation of Catalyst

    SciTech Connect

    Mukarakate, C.; Zhang, X.; Nimlos, M.; Robichaud, D.; Donohoe, B.

    2013-01-01

    The conversion of primary vapors from pine pyrolysis over a ZSM-5 catalyst was characterized using a micro-reactor coupled to a molecular beam mass spectrometer (MBMS) to allow on-line measurement of the upgraded vapors. This micro-reacor-MBMS system was used to investigate the effects of hot gas filtration, temperature and hydrogen donor molecules on the rate of deactivation of the UPV2 catalyst. Our results show that the life of catalyst is significantly improved by using better filtration. Temperature had an effect on both product distribution and catalyst deactivation. The hydrogen donor molecules (HDM) used in this study show better reduction in catalyst deactivation rates at high temperatures.

  20. 45 CFR 605.12 - Reasonable accommodation.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION... to the known physical or mental limitations of an otherwise qualified handicapped applicant or... reasonable accommodation to the physical or mental limitations of the employee or applicant....

  1. 45 CFR 605.12 - Reasonable accommodation.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION... to the known physical or mental limitations of an otherwise qualified handicapped applicant or... reasonable accommodation to the physical or mental limitations of the employee or applicant....

  2. 45 CFR 605.12 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION... to the known physical or mental limitations of an otherwise qualified handicapped applicant or... reasonable accommodation to the physical or mental limitations of the employee or applicant....

  3. 45 CFR 605.12 - Reasonable accommodation.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION... to the known physical or mental limitations of an otherwise qualified handicapped applicant or... reasonable accommodation to the physical or mental limitations of the employee or applicant....

  4. 45 CFR 605.12 - Reasonable accommodation.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION... to the known physical or mental limitations of an otherwise qualified handicapped applicant or... reasonable accommodation to the physical or mental limitations of the employee or applicant....

  5. Accommodation response for integral photography still images

    NASA Astrophysics Data System (ADS)

    Yano, Sumio; Park, Min-Chul

    2015-05-01

    In this paper the accommodation responses for integral photography still images were measured. The experimental results showed that the accommodation responses for integral photography images showed a linear change with images showing the depth position of integral photography, even if the integral photography images were located out of the depth of the field. Furthermore, the discrimination of depth perception, which relates to a blur effect in integral photography images, was subjectively evaluated for the examination of its influence on the accommodation response. As a result, the range of the discrimination of depth perception was narrow in comparison to the range of the rectilinear accommodation response. However, these results were consistent according to the propensity of statistical significance for the discrimination of depth perception in the out range of subjectively effective discriminations.

  6. Space shuttle baseline accommodations for payloads

    NASA Technical Reports Server (NTRS)

    1972-01-01

    The space shuttle system as it relates to payloads is described. This study provides potential users of the space shuttle with a uniform base of information on the accommodations between the payload and the shuttle. By utilizing this information, preliminary payload planning and design studies can be evaluated and compared against a common set of shuttle/payload accommodations. This information also minimizes the necessity for each payload study to develop information on the shuttle configuration.

  7. 46 CFR 153.201 - Openings to accommodation, service or control spaces.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Openings to accommodation, service or control spaces. 153.201 Section 153.201 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment General Vessel Requirements...

  8. 46 CFR 153.201 - Openings to accommodation, service or control spaces.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 5 2011-10-01 2011-10-01 false Openings to accommodation, service or control spaces. 153.201 Section 153.201 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment General Vessel Requirements...

  9. 46 CFR 153.201 - Openings to accommodation, service or control spaces.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 5 2013-10-01 2013-10-01 false Openings to accommodation, service or control spaces. 153.201 Section 153.201 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment General Vessel Requirements...

  10. 46 CFR 153.201 - Openings to accommodation, service or control spaces.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 5 2014-10-01 2014-10-01 false Openings to accommodation, service or control spaces. 153.201 Section 153.201 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment General Vessel Requirements...

  11. 46 CFR 153.201 - Openings to accommodation, service or control spaces.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 5 2012-10-01 2012-10-01 false Openings to accommodation, service or control spaces. 153.201 Section 153.201 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Design and Equipment General Vessel Requirements...

  12. Laboratory Studies on the Formation of Carbon-Bearing Molecules in Extraterrestrial Environments: From the Gas Phase to the Solid State

    NASA Technical Reports Server (NTRS)

    Jamieson, C. S.; Guo, Y.; Gu, X.; Zhang, F.; Bennett, C. J.; Kaiser, R. I.

    2006-01-01

    A detailed knowledge of the formation of carbon-bearing molecules in interstellar ices and in the gas phase of the interstellar medium is of paramount interest to understand the astrochemical evolution of extraterrestrial environments (1). This research also holds strong implications to comprehend the chemical processing of Solar System environments such as icy planets and their moons together with the atmospheres of planets and their satellites (2). Since the present composition of each interstellar and Solar System environment reflects the matter from which it was formed and the processes which have changed the chemical nature since the origin (solar wind, planetary magnetospheres, cosmic ray exposure, photolysis, chemical reactions), a detailed investigation of the physicochemical mechanisms altering the pristine environment is of paramount importance to grasp the contemporary composition. Once these underlying processes have been unraveled, we can identify those molecules, which belonged to the nascent setting, distinguish molecular species synthesized in a later stage, and predict the imminent chemical evolution of, for instance, molecular clouds. Laboratory experiments under controlled physicochemical conditions (temperature, pressure, chemical composition, high energy components) present ideal tools for simulating the chemical evolution of interstellar and Solar System environments. Here, laboratory experiments can predict where and how (reaction mechanisms; chemicals necessary) in extraterrestrial environments and in the interstellar medium complex, carbon bearing molecules can be formed on interstellar grains and in the gas phase. This paper overviews the experimental setups utilized in our laboratory to mimic the chemical processing of gas phase and solid state (ices) environments. These are a crossed molecular beams machine (3) and a surface scattering setup (4). We also present typical results of each setup (formation of amino acids, aldehydes, epoxides

  13. Ultracold polar KRb molecules

    NASA Astrophysics Data System (ADS)

    Neyenhuis, Brian; Chotia, Amodsen; Moses, Steven; Ye, Jun; Jin, Deborah

    2011-05-01

    Ultracold polar molecules in the quantum degenerate regime open the possibility of realizing quantum gases with long-range, and spatially anisotropic, interparticle interactions. Currently, we can create a gas of ultracold fermionic ground-state KRb molecules in with a peak density of 1012 cm-3 and a temperature just 1.4 times the Fermi temperature. We will report on efforts to further cool this gas of molecules. One possibility is to evaporatively cool a spin-polarized molecular Fermi gas confined in quasi-2D, where we would rely on dipole-dipole interactions for rethermalization. We acknowledge funding from NIST, NSF, and AFOSR-MURI.

  14. Intercomparison of stratospheric water vapor observed by satellite experiments - Stratospheric Aerosol and Gas Experiment II versus Limb Infrared Monitor of the Stratosphere and Atmospheric Trace Molecule Spectroscopy

    NASA Technical Reports Server (NTRS)

    Chiou, E. W.; Mccormick, M. P.; Mcmaster, L. R.; Chu, W. P.; Larsen, J. C.; Rind, D.; Oltmans, S.

    1993-01-01

    A comparison is made of the stratospheric water vapor measurements made by the satellite sensors of the Stratospheric Aerosol and Gas Experiment II (SAGE II), the Nimbus-7 LIMS, and the Spacelab 3 Atmospheric Trace Molecule Spectroscopy (ATMOS) experiment. It was found that, despite differences in the measurement techniques, sampling bias, and observational periods, the three experiments have disclosed a generally consistent pattern of stratospheric water vapor distribution. The only significant difference occurs at high southern altitudes in May below 18 km, where LIMS measurements were 2-3 ppmv greater than those of SAGE II and ATMOS.

  15. Determination of local concentration of H{sub 2}O molecules and gas temperature in the process of hydrogen - oxygen gas mixture heating by means of linear and nonlinear laser spectroscopy

    SciTech Connect

    Kozlov, D N; Kobtsev, V D; Stel'makh, O M; Smirnov, Valery V; Stepanov, E V

    2013-01-31

    Employing the methods of linear absorption spectroscopy and nonlinear four-wave mixing spectroscopy using laserinduced gratings we have simultaneously measured the local concentrations of H{sub 2}O molecules and the gas temperature in the process of the H{sub 2} - O{sub 2} mixture heating. During the measurements of the deactivation rates of pulsed-laser excited singlet oxygen O{sub 2} (b {sup 1}{Sigma}{sup +}{sub g}) in collisions with H{sub 2} in the range 294 - 850 K, the joint use of the two methods made it possible to determine the degree of hydrogen oxidation at a given temperature. As the mixture is heated, H{sub 2}O molecules are formed by 'dark' reactions of H{sub 2} with O{sub 2} in the ground state. The experiments have shown that the measurements of tunable diode laser radiation absorption along an optical path through the inhomogeneously heated gas mixture in a cell allows high-accuracy determination of the local H{sub 2}O concentration in the O{sub 2} laser excitation volume, if the gas temperature in this volume is known. When studying the collisional deactivation of O{sub 2} (b {sup 1}{Sigma}{sup +}{sub g}) molecules, the necessary measurements of the local temperature can be implemented using laser-induced gratings, arising due to spatially periodic excitation of O{sub 2} (X{sup 3}{Sigma}{sup -}{sub g}) molecules to the b {sup 1}{Sigma}{sup +}{sub g} state by radiation of the pump laser of the four-wave mixing spectrometer. (laser spectroscopy)

  16. Calculation of the Standard Molal Thermodynamic Properties of Crystalline, Liquid, and Gas Organic Molecules at High Temperatures and Pressures

    NASA Astrophysics Data System (ADS)

    Helgeson, Harold C.; Owens, Christine E.; Knox, Annette M.; Richard, Laurent

    1998-03-01

    Calculation of the thermodynamic properties of organic solids, liquids, and gases at high temperatures and pressures is a requisite for characterizing hydrothermal metastable equilibrium states involving these species and quantifying the chemical affinities of irreversible reactions of organic molecules in natural gas, crude oil, kerogen, and coal with minerals and organic, inorganic, and biomolecular aqueous species in interstitial waters in sedimentary basins. To facilitate calculations of this kind, coefficients for the Parameters From Group Contributions (PFGC) equation of state have been compiled for a variety of groups in organic liquids and gases. In addition, molecular weights, critical temperatures and pressures, densities at 25°C and 1 bar, transition, melting, and boiling temperatures ( Tt,Pr, Tm,Pr, and Tv,Pr, respectively) and standard molal enthalpies of transition (Δ H° t,Pr), melting (Δ H° m,Pr), and vaporization (Δ H° v,Pr) of organic species at 1 bar ( Pr) have been tabulated, together with an internally consistent and comprehensive set of standard molal Gibbs free energies and enthalpies of formation from the elements in their stable state at 298.15 K ( Tr) and Pr (Δ G° f and Δ H° f, respectively). The critical compilation also includes standard molal entropies ( S°) and volumes ( V°) at Tr and Pr, and standard molal heat capacity power function coefficients to compute the standard molal thermodynamic properties of organic solids, liquids, and gases as a function of temperature at 1 bar. These properties and coefficients have been tabulated for more than 500 crystalline solids, liquids, and gases, and those for many more can be computed from the equations of state group additivity algorithms. The crystalline species correspond to normal alkanes (C nH 2( n+1) ) with carbon numbers ( n, which is equal to the number of moles of carbon atoms in one mole of the species) ranging from 5 to 100, and 23 amino acids including glycine (C 2H 5NO

  17. Thermal Accommodation Coefficients Based on Heat-Flux Measurements

    NASA Astrophysics Data System (ADS)

    Gallis, Michael A.; Trott, Wayne M.; Torczynski, John R.; Rader, Daniel J.

    2006-11-01

    A new method to determine the thermal accommodation coefficient of gases on solid surfaces based on heat-flux measurements is presented. An experimental chamber and supporting diagnostics have been developed that allow accurate heat-flux measurements between two parallel plates. The heat flux is inferred from temperature-difference measurements across the plates using precision thermistors, where the plate temperatures are set with two carefully controlled thermal baths. The resulting heat flux is used in a recently derived semi-empirical formula to determine the thermal accommodation coefficient. This formula has the advantage of eliminating the ˜8% discrepancy between molecular simulations and the predictions of the more approximate Sherman-Lees formula used in most studies. Nitrogen, argon, and helium on stainless steel with various finishes and on other silicon-based surfaces are examined. The thermal accommodation coefficients thus determined indicate that the Maxwell gas-surface interaction model can adequately represent all of the experimental observations. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  18. Kinetics of disilane molecule decomposition on the growth surface of silicon in vacuum gas-phase epitaxy reactors

    NASA Astrophysics Data System (ADS)

    Orlov, L. K.; Smyslova, T. N.

    2012-11-01

    The range of the characteristic decomposition rates of dihydride molecule radicals adsorbed by the silicon surface in the temperature interval 450-700°C is experimentally found for a number of kinetic models. A relationship between the rate of silicon atom incorporation into a growing crystal and the characteristic rate of disilane molecule pyrolysis on the silicon surface is found. The temperature dependence of the rate of disilane fragment decomposition on the silicon surface is nonmonotonic, and its run depends on temperature conditions. It is shown that the temperature dependence of the molecular decomposition rate on the growth surface is described by a superposition of two activation curves with various activation energies. The activation energies depend on the peculiarity of interaction between the molecular beam and the silicon surface when the filling of surface states with hydrogen is low and high.

  19. Accommodation functions: co-dependency and relationship to refractive error.

    PubMed

    Allen, Peter M; O'Leary, Daniel J

    2006-02-01

    We assessed the extent to which different accommodative functions are correlated and whether accommodative functions predict the refractive error or the progression of myopia over a 12 month period in 64 young adults (30 myopes and 34 non-myopes). The functions were: amplitude of accommodation; monocular and binocular accommodative facility (6 m and 40 cm); monocular and binocular accommodative response to target distance; AC/A and CA/C ratios, tonic accommodation (dark focus and pinhole), accommodative hysteresis, and nearwork-induced transient myopia. Within groups of related accommodative functions (such as facility measures or open-loop measures) measurements on individuals were generally significantly correlated, however correlations between functions from different groups were generally not significant. Although accommodative amplitude and pinhole (open loop) accommodation were significantly different in myopes than in non-myopes, these functions were unrelated to myopia progression. Facility of accommodation and accommodative lag was independent predictors of myopia progression. PMID:16009391

  20. [Energy and memory efficient calculation of the accommodation demand in the artificial accommodation system].

    PubMed

    Nagel, J A; Beck, C; Harms, H; Stiller, P; Guth, H; Stachs, O; Bretthauer, G

    2010-12-01

    Presbyopia and cataract are gaining more and more importance in the ageing society. Both age-related complaints are accompanied with a loss of the eye's ability to accommodate. A new approach to restore accommodation is the Artificial Accommodation System, an autonomous micro system, which will be implanted into the capsular bag instead of a rigid intraocular lens. The Artificial Accommodation System will, depending on the actual demand for accommodation, autonomously adapt the refractive power of its integrated optical element. One possibility to measure the demand for accommodation non-intrusively is to analyse eye movements. We present an efficient algorithm, based on the CORDIC technique, to calculate the demand for accommodation from magnetic field sensor data. It can be shown that specialised algorithms significantly shorten calculation time without violating precision requirements. Additionally, a communication strategy for the wireless exchange of sensor data between the implants of the left and right eye is introduced. The strategy allows for a one-sided calculation of the demand for accommodation, resulting in an overall reduction of calculation time by 50 %. The presented methods enable autonomous microsystems, such as the Artificial Accommodation System, to save significant amounts of energy, leading to extended autonomous run-times. PMID:21157661

  1. Combining density functional theory (DFT) and collision cross-section (CCS) calculations to analyze the gas-phase behaviour of small molecules and their protonation site isomers.

    PubMed

    Boschmans, Jasper; Jacobs, Sam; Williams, Jonathan P; Palmer, Martin; Richardson, Keith; Giles, Kevin; Lapthorn, Cris; Herrebout, Wouter A; Lemière, Filip; Sobott, Frank

    2016-06-20

    Electrospray ion mobility-mass spectrometry (IM-MS) data show that for some small molecules, two (or even more) ions with identical sum formula and mass, but distinct drift times are observed. In spite of showing their own unique and characteristic fragmentation spectra in MS/MS, no configurational or constitutional isomers are found to be present in solution. Instead the observation and separation of such ions appears to be inherent to their gas-phase behaviour during ion mobility experiments. The origin of multiple drift times is thought to be the result of protonation site isomers ('protomers'). Although some important properties of protomers have been highlighted by other studies, correlating the experimental collision cross-sections (CCSs) with calculated values has proven to be a major difficulty. As a model, this study uses the pharmaceutical compound melphalan and a number of related molecules with alternative (gas-phase) protonation sites. Our study combines density functional theory (DFT) calculations with modified MobCal methods (e.g. nitrogen-based Trajectory Method algorithm) for the calculation of theoretical CCS values. Calculated structures can be linked to experimentally observed signals, and a strong correlation is found between the difference of the calculated dipole moments of the protomer pairs and their experimental CCS separation. PMID:27264846

  2. Determining the accommodative response from wavefront aberrations.

    PubMed

    Tarrant, Janice; Roorda, Austin; Wildsoet, Christine F

    2010-01-01

    The purpose of this study was to evaluate some of the methods used to calculate objective refractions from wavefront aberrations, to determine their applicability for accommodation research. A wavefront analyzer was used to measure the ocular aberrations of 13 emmetropes and 17 myopes at distance, and 4 near target vergences: 2, 3, 4, and 5 D. The accommodative response was calculated using the following techniques: least squares fitting (Zernike defocus), paraxial curvature matching (Seidel defocus), and 5 optical quality metrics (PFWc, PFSc, PFCc, NS, and VSMTF). We also evaluated a task-specific method of determining optimum focus that used a through-focus procedure to select the image that best optimized both contrast amplitude and gradient (CAG). Neither Zernike nor Seidel defocus appears to be the best method for determining the accommodative response from wavefront aberrations. When the eye has negative spherical aberration, Zernike defocus tends to underestimate, whereas Seidel defocus tends to overestimate the accommodative response. A better approach is to first determine the best image plane using a suitable optical quality metric and then calculate the accommodative error relative to this plane. Of the metrics evaluated, both NS and VSMTF were reasonable choices, with the CAG algorithm being a less preferred alternate. PMID:20616123

  3. Overview for Attached Payload Accommodations and Environments

    NASA Technical Reports Server (NTRS)

    Schaffer, Craig; Cook, Gene; Nabizadeh, Rodney; Phillion, James

    2007-01-01

    External payload accommodations are provided at attach sites on the U.S provided ELC, U.S. Truss, the Japanese Experiment Module Exposed Facility (JEM EF) and the Columbus EPF (External Payload Facilities). The Integrated Truss Segment (ITS) provides the backbone structure for the ISS. It attaches the solar and thermal control arrays to the rest of the complex, and houses cable distribution trays Extravehicular Activity (EVA) support equipment such as handholds and lighting; and providing for Extravehicular Robotic (EVR) accommodations using the Mobile Servicing System (MSS). It also provides logistics and maintenance, and payload attachment sites. The attachment sites accommodate logistics and maintenance and payloads carriers, zenith and nadir. The JEM-EF, a back porch-like attachment to the JEM Pressurized Module, accommodates up to eight payloads, which can be serviced by the crew via the JEM PM's airlock and dedicated robotic arm. The Columbus-EPF is another porch-like platform that can accommodate two zenith and two nadir looking payloads.

  4. A molecular dynamics study of water mass accommodation on condensed phase water coated by fatty acid monolayers

    NASA Astrophysics Data System (ADS)

    Takahama, S.; Russell, L. M.

    2011-01-01

    As the water uptake by particles and clouds influences the radiative balance of the Earth, it is desirable to understand the mechanisms and parameters, which regulate water uptake in these colloidal particles. In this work, molecular dynamics simulations were used to simulate scattering or accommodation of water vapor molecules impinging on a slab of water and slabs of water coated by monomolecular amphiphile films: octanoic acid (C8) at surface densities of 29 and 18 Å2 per molecule and myristic acid (C14) at 29 Å2 per molecule. The mass accommodation coefficient of near unity on a pure water slab is in agreement with values estimated using similar scattering simulations using other potentials for water. The addition of surface-active organic molecules in quantities corresponding to less than 1% of mass in a typical cloud droplet are predicted to reduce this mass accommodation coefficient by 70-100% in similar types of scattering simulations. The mass accommodation coefficient decreased monotonically with projected surface coverage of the hydrocarbon backbones, although the accommodation mechanisms differed by packing density and type of organic molecule. The mechanisms of interaction of the impinging water vapor molecules with the simulated organic films are discussed in the context of their chemical characteristics and physical structures (e.g., fatty acid chain orientation).

  5. [The deterioration of refractive accommodative esotropia].

    PubMed

    Yan, J; Yang, S; Wang, Y

    1995-09-01

    137 patients with refractive accommodative esotropia who were followed for at least 5 years were investigated. The results showed that in 23 of the 137 patients (16.8%) occurred the deterioration of esotropia that means esotropia can no longer be controlled by wearing a pair of complete corrective spectacles. The deterioration develops most likely in patients with delay of anti-accommodative therapy or with malfunction of binocular vision. The age of onset, refractive status and the visual acuity difference between bilateral eyes are not etiologic factors in the process of deterioration. We consider that early diagnosis of accommodative esotropia, timely prescription of optical correction and maintenance of normal binocular vision play important roles in preventing the deterioration. PMID:8706583

  6. Molecules between the Stars.

    ERIC Educational Resources Information Center

    Verschuur, Gerrit L.

    1987-01-01

    Provides a listing of molecules discovered to date in the vast interstellar clouds of dust and gas. Emphasizes the recent discoveries of organic molecules. Discusses molecular spectral lines, MASERs (microwave amplification by stimulated emission of radiation), molecular clouds, and star birth. (TW)

  7. Experimental investigations of pupil accommodation factors.

    PubMed

    Lee, Eui Chul; Lee, Ji Woo; Park, Kang Ryoung

    2011-08-01

    PURPOSE. The contraction and dilation of the iris muscle that controls the amount of light entering the retina causes pupil accommodation. In this study, experiments were performed and two of the three factors that influence pupil accommodation were analyzed: lighting conditions and depth fixations. The psychological benefits were not examined, because they could not be quantified. METHODS. A head-wearable eyeglasses-based, eye-capturing device was designed to measure pupil size. It included a near-infrared (NIR) camera and an NIR light-emitting diode. Twenty-four subjects watched two-dimensional (2D) and three-dimensional (3D) stereoscopic videos of the same content, and the changes in pupil size were measured by using the eye-capturing device and image-processing methods: RESULTS. The pupil size changed with the intensity of the videos and the disparities between the left and right images of a 3D stereoscopic video. There was correlation between the pupil size and average intensity. The pupil diameter could be estimated as being contracted from approximately 5.96 to 4.25 mm as the intensity varied from 0 to 255. Further, from the changes in the depth fixation for the pupil accommodation, it was confirmed that the depth fixation also affected accommodation of pupil size. CONCLUSIONS. It was confirmed that the lighting condition was an even more significant factor in pupil accommodation than was depth fixation (significance ratio: approximately 3.2:1) when watching 3D stereoscopic video. Pupil accommodation was more affected by depth fixation in the real world than was the binocular convergence in the 3D stereoscopic display. PMID:21357391

  8. Prediction of anthropometric accommodation in aircraft cockpits

    NASA Astrophysics Data System (ADS)

    Zehner, Gregory Franklin

    Designing aircraft cockpits to accommodate the wide range of body sizes existing in the U.S. population has always been a difficult problem for Crewstation Engineers. The approach taken in the design of military aircraft has been to restrict the range of body sizes allowed into flight training, and then to develop standards and specifications to ensure that the majority of the pilots are accommodated. Accommodation in this instance is defined as the ability to: (1) Adequately see, reach, and actuate controls; (2) Have external visual fields so that the pilot can see to land, clear for other aircraft, and perform a wide variety of missions (ground support/attack or air to air combat); and (3) Finally, if problems arise, the pilot has to be able to escape safely. Each of these areas is directly affected by the body size of the pilot. Unfortunately, accommodation problems persist and may get worse. Currently the USAF is considering relaxing body size entrance requirements so that smaller and larger people could become pilots. This will make existing accommodation problems much worse. This dissertation describes a methodology for correcting this problem and demonstrates the method by predicting pilot fit and performance in the USAF T-38A aircraft based on anthropometric data. The methods described can be applied to a variety of design applications where fitting the human operator into a system is a major concern. A systematic approach is described which includes: defining the user population, setting functional requirements that operators must be able to perform, testing the ability of the user population to perform the functional requirements, and developing predictive equations for selecting future users of the system. Also described is a process for the development of new anthropometric design criteria and cockpit design methods that assure body size accommodation is improved in the future.

  9. Aerobrake assembly with minimum Space Station accommodation

    NASA Technical Reports Server (NTRS)

    Katzberg, Steven J.; Butler, David H.; Doggett, William R.; Russell, James W.; Hurban, Theresa

    1991-01-01

    The minimum Space Station Freedom accommodations required for initial assembly, repair, and refurbishment of the Lunar aerobrake were investigated. Baseline Space Station Freedom support services were assumed, as well as reasonable earth-to-orbit possibilities. A set of three aerobrake configurations representative of the major themes in aerobraking were developed. Structural assembly concepts, along with on-orbit assembly and refurbishment scenarios were created. The scenarios were exercised to identify required Space Station Freedom accommodations. Finally, important areas for follow-on study were also identified.

  10. A Robust Highly Interpenetrated Metal−Organic Framework Constructed from Pentanuclear Clusters for Selective Sorption of Gas Molecules

    SciTech Connect

    Zhang, Zhangjing; Xiang, Shengchang; Chen, Yu-Sheng; Ma, Shengqian; Lee, Yongwoo; Phely-Bobin, Thomas; Chen, Banglin

    2010-10-22

    A three-dimensional microporous metal-organic framework, Zn{sub 5}(BTA){sub 6}(TDA){sub 2} {center_dot} 15DMF {center_dot} 8H{sub 2}O (1; HBTA = 1,2,3-benzenetriazole; H{sub 2}TDA = thiophene-2,5-dicarboxylic acid), comprising pentanuclear [Zn{sub 5}] cluster units, was obtained through an one-pot solvothermal reaction of Zn(NO{sub 3}){sub 2}, 1,2,3-benzenetriazole, and thiophene-2,5-dicarboxylate. The activated 1 displays type-I N{sub 2} gas sorption behavior with a Langmuir surface area of 607 m{sup 2} g{sup -1} and exhibits interesting selective gas adsorption for C{sub 2}H{sub 2}/CH{sub 4} and CO{sub 2}/CH{sub 4}.

  11. Gas-phase ion-molecule reactions: a model for the determination of biologically reactive electrophilic contaminants in the environment.

    PubMed

    Freeman, J A; Johnson, J V; Yost, R A; Kuehl, D W

    1994-06-01

    A promising instrumental technique has been investigated to rapidly screen complex environmental samples for chemical contaminants having the propensity to covalently bond to biomacromolecules such as DNA. Radical molecular ions of pyridine, a model compound for nucleophilic bases of DNA, were mass-selected and allowed to react with electrophilic environmental contaminants in the collision cell of a triple quadrupole mass spectrometer. Analytes were introduced into the collision cell via a gas chromatographic column. Reactive chemicals are then characterized by scanning Q3 to identify associative reaction products. A good qualitative correlation was observed for the gas-phase reactivity of a series of electrophilic reagents with both their alkylating reactivity in solution (4-(4-nitrobenzyl)pyridine) and AMES test mutagenicity which had been previously published. Femtomole limits of detection for specific associative reaction products were demonstrated. Gas-phase reactions of ions of environmental contaminants (introduced into the source) with neutral pyridine (in the collision cell) were also investigated. Reactions of the radical molecular ion of the allyl reagents with neutral pyridine were similar to results from the mass-selected reaction of the pyridine radical molecular ion with neutral allylic reagents. PMID:8030792

  12. BRIEF COMMUNICATIONS: Investigation of the vibrational relaxation of CO2 molecules in a heterogeneous gas-cluster system

    NASA Astrophysics Data System (ADS)

    Vostrikov, A. A.; Mironov, S. G.; Rebrov, A. K.; Semyachkin, B. E.

    1981-06-01

    An investigation was made of the relaxation of monomers and clusters of carbon dioxide excited in a glow discharge maintained in a condensing supersonic free jet. Measurements were made of the intensity of the output radiation emitted from the 001 vibrational level of the CO2 molecule in a band at 4.3 μ, and also of the intensity and energy of the molecular beam. It was found that the relaxation of the excited monomers as a result of their collisions with clusters occurred at a rate much higher than the rate of VT relaxation in the gaseous phase, and it increased on increase in the average size of the cluster. The clusters which have received the excitation energy directly from the discharge and indirectly from monomers were found to lose this energy with time: in ≲1 msec the excitation was converted into heat and this resulted in partial evaporation of the clusters.

  13. Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules

    SciTech Connect

    Van den Bossche, M.; Grönbeck, H.; Martin, N. M.; Gustafson, J.; Lundgren, E.; Hakanoglu, C.; Weaver, J. F.

    2014-07-21

    Density functional theory calculations are often used to interpret experimental shifts in core level binding energies. Calculations based on gradient-corrected (GC) exchange-correlation functionals are known to reproduce measured core level shifts (CLS) of isolated molecules and metal surfaces with reasonable accuracy. In the present study, we discuss a series of examples where the shifts calculated within a GC-functional significantly deviate from the experimental values, namely the CLS of C 1s in ethyl trifluoroacetate, Pd 3d in PdO and the O 1s shift for CO adsorbed on PdO(101). The deviations are traced to effects of the electronic self-interaction error with GC-functionals and substantially better agreements between calculated and measured CLS are obtained when a fraction of exact exchange is used in the exchange-correlation functional.

  14. Direct Measurement of Adsorbed Gas Redistribution in Metal–Organic Frameworks

    SciTech Connect

    Chen, Ying-Pin; Liu, Yangyang; Liu, Dahuan; Bosch, Mathieu; Zhou, Hong-Cai

    2015-03-04

    Knowledge about the interactions between gas molecules and adsorption sites is essential to customize metal-organic frameworks (MOFs) as adsorbents. The dynamic interactions occurring during adsorption/desorption working cycles with several states are especially complicated. Even so, the gas dynamics based upon experimental observations and the distribution of guest molecules under various conditions in MOFs have not been extensively studied yet. In this work, a direct time-resolved diffraction structure envelope (TRDSE) method using sequential measurements by in situ synchrotron powder X-ray diffraction has been developed to monitor several gas dynamic processes taking place in MOFs: infusion, desorption, and gas redistribution upon temperature change. The electron density maps indicate that gas molecules prefer to redistribute over heterogeneous types of sites rather than to exclusively occupy the primary binding sites. We found that the gas molecules are entropically driven from open metal sites to larger neighboring spaces during the gas infusion period, matching the localized-to-mobile mechanism. In addition, the partitioning ratio of molecules adsorbed at each site varies with different temperatures, as opposed to an invariant distribution mode. Equally important, the gas adsorption in MOFs is intensely influenced by the gas–gas interactions, which might induce more molecules to be accommodated in an orderly compact arrangement. This sequential TRDSE method is generally applicable to most crystalline adsorbents, yielding information on distribution ratios of adsorbates at each type of site.

  15. 10 CFR 1040.67 - Reasonable accommodation.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 4 2013-01-01 2013-01-01 false Reasonable accommodation. 1040.67 Section 1040.67 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) NONDISCRIMINATION IN FEDERALLY ASSISTED PROGRAMS OR ACTIVITIES Nondiscrimination on the Basis of Handicap-Section 504 of the Rehabilitation Act of 1973, as Amended Employment Practices § 1040.67...

  16. 38 CFR 18.412 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 2 2010-07-01 2010-07-01 false Reasonable accommodation. 18.412 Section 18.412 Pensions, Bonuses, and Veterans' Relief DEPARTMENT OF VETERANS AFFAIRS (CONTINUED) NONDISCRIMINATION IN FEDERALLY-ASSISTED PROGRAMS OF THE DEPARTMENT OF VETERANS AFFAIRS-EFFECTUATION OF TITLE VI OF THE CIVIL RIGHTS ACT OF...

  17. 45 CFR 1232.10 - Reasonable accommodation.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 4 2011-10-01 2011-10-01 false Reasonable accommodation. 1232.10 Section 1232.10 Public Welfare Regulations Relating to Public Welfare (Continued) CORPORATION FOR NATIONAL AND COMMUNITY SERVICE NONDISCRIMINATION ON BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment and Volunteer...

  18. 45 CFR 1170.22 - Reasonable accommodation.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 3 2014-10-01 2014-10-01 false Reasonable accommodation. 1170.22 Section 1170.22 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES NONDISCRIMINATION ON THE BASIS OF HANDICAP IN FEDERALLY ASSISTED PROGRAMS OR...

  19. 10 CFR 4.123 - Reasonable accommodation.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 1 2012-01-01 2012-01-01 false Reasonable accommodation. 4.123 Section 4.123 Energy NUCLEAR REGULATORY COMMISSION NONDISCRIMINATION IN FEDERALLY ASSISTED PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE FROM THE COMMISSION Regulations Implementing Section 504 of the Rehabilitation Act of 1973, as Amended...

  20. 15 CFR 8b.12 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 15 Commerce and Foreign Trade 1 2010-01-01 2010-01-01 false Reasonable accommodation. 8b.12 Section 8b.12 Commerce and Foreign Trade Office of the Secretary of Commerce PROHIBITION OF DISCRIMINATION AGAINST THE HANDICAPPED IN FEDERALLY ASSISTED PROGRAMS OPERATED BY THE DEPARTMENT OF COMMERCE Employment Practices § 8b.12 Reasonable...

  1. 34 CFR 104.12 - Reasonable accommodation.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 34 Education 1 2012-07-01 2012-07-01 false Reasonable accommodation. 104.12 Section 104.12 Education Regulations of the Offices of the Department of Education OFFICE FOR CIVIL RIGHTS, DEPARTMENT OF EDUCATION NONDISCRIMINATION ON THE BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices §...

  2. 45 CFR 1232.10 - Reasonable accommodation.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 45 Public Welfare 4 2013-10-01 2013-10-01 false Reasonable accommodation. 1232.10 Section 1232.10 Public Welfare Regulations Relating to Public Welfare (Continued) CORPORATION FOR NATIONAL AND COMMUNITY SERVICE NONDISCRIMINATION ON BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment and Volunteer...

  3. 28 CFR 42.511 - Reasonable accommodation.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 28 Judicial Administration 1 2013-07-01 2013-07-01 false Reasonable accommodation. 42.511 Section 42.511 Judicial Administration DEPARTMENT OF JUSTICE NONDISCRIMINATION; EQUAL EMPLOYMENT OPPORTUNITY; POLICIES AND PROCEDURES Nondiscrimination Based on Handicap in Federally Assisted Programs or Activities-Implementation of Section 504 of...

  4. 10 CFR 1040.67 - Reasonable accommodation.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 4 2012-01-01 2012-01-01 false Reasonable accommodation. 1040.67 Section 1040.67 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) NONDISCRIMINATION IN FEDERALLY ASSISTED PROGRAMS OR ACTIVITIES Nondiscrimination on the Basis of Handicap-Section 504 of the Rehabilitation Act of 1973, as Amended Employment Practices § 1040.67...

  5. 45 CFR 1151.32 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 45 Public Welfare 3 2010-10-01 2010-10-01 false Reasonable accommodation. 1151.32 Section 1151.32 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE ARTS NONDISCRIMINATION ON THE BASIS OF HANDICAP Discrimination Prohibited Employment § 1151.32...

  6. 45 CFR 1170.22 - Reasonable accommodation.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 3 2011-10-01 2011-10-01 false Reasonable accommodation. 1170.22 Section 1170.22 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES NONDISCRIMINATION ON THE BASIS OF HANDICAP IN FEDERALLY ASSISTED PROGRAMS OR...

  7. 10 CFR 1040.67 - Reasonable accommodation.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 4 2011-01-01 2011-01-01 false Reasonable accommodation. 1040.67 Section 1040.67 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) NONDISCRIMINATION IN FEDERALLY ASSISTED PROGRAMS OR ACTIVITIES Nondiscrimination on the Basis of Handicap-Section 504 of the Rehabilitation Act of 1973, as Amended Employment Practices § 1040.67...

  8. 45 CFR 1232.10 - Reasonable accommodation.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 4 2014-10-01 2014-10-01 false Reasonable accommodation. 1232.10 Section 1232.10 Public Welfare Regulations Relating to Public Welfare (Continued) CORPORATION FOR NATIONAL AND COMMUNITY SERVICE NONDISCRIMINATION ON BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment and Volunteer...

  9. 45 CFR 1151.32 - Reasonable accommodation.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 3 2011-10-01 2011-10-01 false Reasonable accommodation. 1151.32 Section 1151.32 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE ARTS NONDISCRIMINATION ON THE BASIS OF HANDICAP Discrimination Prohibited Employment § 1151.32...

  10. 45 CFR 1151.32 - Reasonable accommodation.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 3 2014-10-01 2014-10-01 false Reasonable accommodation. 1151.32 Section 1151.32 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE ARTS NONDISCRIMINATION ON THE BASIS OF HANDICAP Discrimination Prohibited Employment § 1151.32...

  11. Anthropometric Accommodation in Space Suit Design

    NASA Technical Reports Server (NTRS)

    Rajulu, Sudhakar; Thaxton, Sherry

    2007-01-01

    Design requirements for next generation hardware are in process at NASA. Anthropometry requirements are given in terms of minimum and maximum sizes for critical dimensions that hardware must accommodate. These dimensions drive vehicle design and suit design, and implicitly have an effect on crew selection and participation. At this stage in the process, stakeholders such as cockpit and suit designers were asked to provide lists of dimensions that will be critical for their design. In addition, they were asked to provide technically feasible minimum and maximum ranges for these dimensions. Using an adjusted 1988 Anthropometric Survey of U.S. Army (ANSUR) database to represent a future astronaut population, the accommodation ranges provided by the suit critical dimensions were calculated. This project involved participation from the Anthropometry and Biomechanics facility (ABF) as well as suit designers, with suit designers providing expertise about feasible hardware dimensions and the ABF providing accommodation analysis. The initial analysis provided the suit design team with the accommodation levels associated with the critical dimensions provided early in the study. Additional outcomes will include a comparison of principal components analysis as an alternate method for anthropometric analysis.

  12. 45 CFR 84.12 - Reasonable accommodation.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 1 2014-10-01 2014-10-01 false Reasonable accommodation. 84.12 Section 84.12 Public Welfare Department of Health and Human Services GENERAL ADMINISTRATION NONDISCRIMINATION ON THE... qualified handicapped employee or applicant if the basis for the denial is the need to make...

  13. 45 CFR 84.12 - Reasonable accommodation.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 45 Public Welfare 1 2013-10-01 2013-10-01 false Reasonable accommodation. 84.12 Section 84.12 Public Welfare DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL ADMINISTRATION NONDISCRIMINATION ON THE... qualified handicapped employee or applicant if the basis for the denial is the need to make...

  14. 45 CFR 84.12 - Reasonable accommodation.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 1 2011-10-01 2011-10-01 false Reasonable accommodation. 84.12 Section 84.12 Public Welfare DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL ADMINISTRATION NONDISCRIMINATION ON THE... qualified handicapped employee or applicant if the basis for the denial is the need to make...

  15. Accommodating Student Diversity in Remote Sensing Instruction.

    ERIC Educational Resources Information Center

    Hammen, John L., III.

    1992-01-01

    Discusses the difficulty of teaching computer-based remote sensing to students of varying levels of computer literacy. Suggests an instructional method that accommodates all levels of technical expertise through the use of microcomputers. Presents a curriculum that includes an introduction to remote sensing, digital image processing, and…

  16. Unflagged SATs: Who Benefits from Special Accommodations?

    ERIC Educational Resources Information Center

    Abrams, Samuel J.

    2005-01-01

    When the College Board announced, in the summer of 2002, that it would stop "flagging" the test scores of students who were given special accommodations for the SAT, the gold standard exam for college admission, disability advocates were thrilled. "A triumphant day for millions of people with dyslexia and other disabilities," exclaimed Thomas…

  17. Academic Accommodations for Students with Psychiatric Disabilities.

    ERIC Educational Resources Information Center

    Souma, Alfred; Rickerson, Nancy; Burgstahler, Sheryl

    This brief paper summarizes the literature on academic accommodations for students with psychiatric disabilities. A definition of psychiatric disability precedes a brief summary of the following specific psychiatric diagnoses: depression, bipolar affective disorder; borderline personality disorder; schizophrenia; and anxiety disorders. Also noted…

  18. Accommodating Presuppositions Is Inappropriate in Implausible Contexts

    ERIC Educational Resources Information Center

    Singh, Raj; Fedorenko, Evelina; Mahowald, Kyle; Gibson, Edward

    2016-01-01

    According to one view of linguistic information (Karttunen, 1974; Stalnaker, 1974), a speaker can convey contextually new information in one of two ways: (a) by "asserting" the content as new information; or (b) by "presupposing" the content as given information which would then have to be "accommodated." This…

  19. Testing Accommodations and Inclusive Assessment Practices

    ERIC Educational Resources Information Center

    Niebling, Bradley C.; Elliott, Stephen N.

    2005-01-01

    The inclusion of students with disabilities in large-scale assessments, typically by using testing accommodations, for statewide accountability systems became a legal reality with the reauthorization of the Individuals with Disabilities Education Act in 1997, and the passage of the No Child Left Behind Act in 2002. These legal mandates and best…

  20. Testing Accommodations for Students with Disabilities.

    ERIC Educational Resources Information Center

    Florida State Dept. of Education, Tallahassee. Bureau of Instructional Support and Community Services.

    This brief guide explains the use of testing accommodations for students with a disability participating in state or district educational assessments under federal and Florida state law. These include the Individuals with Disabilities Education Act of 1997, Section 504 of the Rehabilitation Act, and the Florida Administrative Code. Planning…

  1. 50 CFR 260.101 - Lavatory accommodations.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 50 Wildlife and Fisheries 11 2013-10-01 2013-10-01 false Lavatory accommodations. 260.101 Section 260.101 Wildlife and Fisheries NATIONAL MARINE FISHERIES SERVICE, NATIONAL OCEANIC AND ATMOSPHERIC ADMINISTRATION, DEPARTMENT OF COMMERCE PROCESSED FISHERY PRODUCTS, PROCESSED PRODUCTS THEREOF, AND CERTAIN OTHER PROCESSED FOOD PRODUCTS INSPECTION...

  2. 50 CFR 260.101 - Lavatory accommodations.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 50 Wildlife and Fisheries 11 2012-10-01 2012-10-01 false Lavatory accommodations. 260.101 Section 260.101 Wildlife and Fisheries NATIONAL MARINE FISHERIES SERVICE, NATIONAL OCEANIC AND ATMOSPHERIC ADMINISTRATION, DEPARTMENT OF COMMERCE PROCESSED FISHERY PRODUCTS, PROCESSED PRODUCTS THEREOF, AND CERTAIN...

  3. 50 CFR 260.101 - Lavatory accommodations.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 50 Wildlife and Fisheries 11 2014-10-01 2014-10-01 false Lavatory accommodations. 260.101 Section 260.101 Wildlife and Fisheries NATIONAL MARINE FISHERIES SERVICE, NATIONAL OCEANIC AND ATMOSPHERIC ADMINISTRATION, DEPARTMENT OF COMMERCE PROCESSED FISHERY PRODUCTS, PROCESSED PRODUCTS THEREOF, AND CERTAIN...

  4. 24 CFR 100.204 - Reasonable accommodations.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... public and common use areas. (b) The application of this section may be illustrated by the following... 24 Housing and Urban Development 1 2010-04-01 2010-04-01 false Reasonable accommodations. 100.204 Section 100.204 Housing and Urban Development Regulations Relating to Housing and Urban Development...

  5. 24 CFR 100.204 - Reasonable accommodations.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... public and common use areas. (b) The application of this section may be illustrated by the following... 24 Housing and Urban Development 1 2011-04-01 2011-04-01 false Reasonable accommodations. 100.204 Section 100.204 Housing and Urban Development Regulations Relating to Housing and Urban Development...

  6. 45 CFR 1170.22 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 45 Public Welfare 3 2010-10-01 2010-10-01 false Reasonable accommodation. 1170.22 Section 1170.22 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES NONDISCRIMINATION ON THE BASIS OF HANDICAP IN...

  7. 45 CFR 1170.22 - Reasonable accommodation.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 45 Public Welfare 3 2012-10-01 2012-10-01 false Reasonable accommodation. 1170.22 Section 1170.22 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES NONDISCRIMINATION ON THE BASIS OF HANDICAP IN...

  8. 45 CFR 1170.22 - Reasonable accommodation.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 45 Public Welfare 3 2013-10-01 2013-10-01 false Reasonable accommodation. 1170.22 Section 1170.22 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES NONDISCRIMINATION ON THE BASIS OF HANDICAP IN...

  9. Mentoring for Success: Accommodation Strategies for ELLs

    ERIC Educational Resources Information Center

    Munro, Jill; Abbott, Marilyn; Rossiter, Marian

    2013-01-01

    We investigated the extent to which a seven-week action research mentoring project would help two junior high school science teachers to feel more confident and successful in their abilities to use accommodation strategies to support the English language learners (ELLs) in their classes, and consequently to increase their ability to assess more…

  10. Examination Accommodations for Students with Sensory Defensiveness

    ERIC Educational Resources Information Center

    Lewis, Kieran; Nolan, Clodagh

    2013-01-01

    Traditional examination accommodations include extra time, scribes, and/or separate venues for students with disabilities, which have been proven to be successful for the majority of students. For students with non-apparent disabilities such as sensory defensiveness, where sensitivity to a range of sensory information from the environment can…

  11. 9 CFR 354.225 - Lavatory accommodations.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 9 Animals and Animal Products 2 2014-01-01 2014-01-01 false Lavatory accommodations. 354.225 Section 354.225 Animals and Animal Products FOOD SAFETY AND INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE... provided according to the following formula: Persons of same sex Toilet bowls required 1 to 15, inclusive...

  12. 9 CFR 354.225 - Lavatory accommodations.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 9 Animals and Animal Products 2 2013-01-01 2013-01-01 false Lavatory accommodations. 354.225 Section 354.225 Animals and Animal Products FOOD SAFETY AND INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE... provided according to the following formula: Persons of same sex Toilet bowls required 1 to 15, inclusive...

  13. 9 CFR 354.225 - Lavatory accommodations.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 9 Animals and Animal Products 2 2012-01-01 2012-01-01 false Lavatory accommodations. 354.225 Section 354.225 Animals and Animal Products FOOD SAFETY AND INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE... provided according to the following formula: Persons of same sex Toilet bowls required 1 to 15, inclusive...

  14. Cultural Accommodation as Method and Metaphor

    ERIC Educational Resources Information Center

    Leong, Frederick T. L.

    2007-01-01

    The author summarizes the cultural accommodation model (CAM) of cross-cultural psychotherapy (F. T. L. Leong & S. H. Lee, 2006). This summary is divided into 2 parts, with the 1st part describing the theoretical development of the CAM as a method of psychotherapy and the research approach underlying it. This section includes a description of the…

  15. 34 CFR 104.12 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 34 Education 1 2010-07-01 2010-07-01 false Reasonable accommodation. 104.12 Section 104.12 Education Regulations of the Offices of the Department of Education OFFICE FOR CIVIL RIGHTS, DEPARTMENT OF EDUCATION NONDISCRIMINATION ON THE BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL...

  16. Accommodating Workers with Spinal Cord Injury.

    ERIC Educational Resources Information Center

    Dowler, Denetta; Batiste, Linda; Whidden, Eddie

    1998-01-01

    Examination of over 1,000 calls to the Job Accommodation Network involving workers with spinal cord injury identified the nature of the industry, job, career progression, and accessibility solutions. The number of calls increased dramatically after passage of the Americans with Disabilities Act. (SK)

  17. Accommodating Faculty Members Who Have Disabilities. Report

    ERIC Educational Resources Information Center

    American Association of University Professors, 2012

    2012-01-01

    In recent years the rights and responsibilities of students who have disabilities have received considerable attention. Professors routinely accommodate students with a front-row seat in class or extended time on an examination. Faculty members who have disabilities have received far less attention. This report from a subcommittee of Committee A…

  18. Accommodating Band Students with Visual Impairments

    ERIC Educational Resources Information Center

    Coates, Rick Lee

    2012-01-01

    This article offers a discussion about some of the accommodations and modifications used in music instruction. The focus here is on the musical tasks and challenges faced by band students with visual impairments. Research and literature reveal an interest in the topic but a lack of accessible materials for immediate use in the classroom and…

  19. 46 CFR 108.195 - Location of accommodation spaces.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 4 2010-10-01 2010-10-01 false Location of accommodation spaces. 108.195 Section 108... DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.195 Location of accommodation spaces. (a) On surface type units, accommodation spaces must not be located forward of a...

  20. Identifying Appropriate Test Accommodations for Students with Learning Disabilities

    ERIC Educational Resources Information Center

    Fuchs, Lynn S.; Fuchs, Douglas; Capizzi, Andrea M.

    2005-01-01

    This article provides an overview of identification of appropriate testing accommodations for students with learning disabilities (LD). First it defines the concept of testing accommodations and review research on test accommodations commonly used with students with LD. Next it examines the validity and fairness in accommodations, as well as the…

  1. Communication Accommodation between Chinese and Australian Students and Academic Staff.

    ERIC Educational Resources Information Center

    Gallois, Cynthia; And Others

    A study tested paths predicted by Communication Accommodation Theory (CAT) in the context of interactions between 105 Chinese and 283 Anglo-Australian students and 98 academic staff in situations of potential conflict. Videotapes of student-lecturer interactions in which speakers accommodated, over-accommodated, or under-accommodated were rated by…

  2. 46 CFR 92.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 4 2013-10-01 2013-10-01 false Sleeping accommodations. 92.20-20 Section 92.20-20... CONSTRUCTION AND ARRANGEMENT Accommodations for Officers and Crew § 92.20-20 Sleeping accommodations. (a) Where practicable, each licensed officer must be provided with a separate stateroom. (b) Sleeping accommodations...

  3. 46 CFR 92.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 4 2012-10-01 2012-10-01 false Sleeping accommodations. 92.20-20 Section 92.20-20... CONSTRUCTION AND ARRANGEMENT Accommodations for Officers and Crew § 92.20-20 Sleeping accommodations. (a) Where practicable, each licensed officer must be provided with a separate stateroom. (b) Sleeping accommodations...

  4. 46 CFR 72.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 3 2013-10-01 2013-10-01 false Sleeping accommodations. 72.20-20 Section 72.20-20... ARRANGEMENT Accommodations for Officers and Crew § 72.20-20 Sleeping accommodations. (a) Where practicable, each licensed officer shall be provided with a separate stateroom. (b) Sleeping accommodations for...

  5. 46 CFR 72.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 3 2014-10-01 2014-10-01 false Sleeping accommodations. 72.20-20 Section 72.20-20... ARRANGEMENT Accommodations for Officers and Crew § 72.20-20 Sleeping accommodations. (a) Where practicable, each licensed officer shall be provided with a separate stateroom. (b) Sleeping accommodations for...

  6. 46 CFR 72.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 3 2012-10-01 2012-10-01 false Sleeping accommodations. 72.20-20 Section 72.20-20... ARRANGEMENT Accommodations for Officers and Crew § 72.20-20 Sleeping accommodations. (a) Where practicable, each licensed officer shall be provided with a separate stateroom. (b) Sleeping accommodations for...

  7. 46 CFR 92.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 4 2011-10-01 2011-10-01 false Sleeping accommodations. 92.20-20 Section 92.20-20... CONSTRUCTION AND ARRANGEMENT Accommodations for Officers and Crew § 92.20-20 Sleeping accommodations. (a) Where practicable, each licensed officer must be provided with a separate stateroom. (b) Sleeping accommodations...

  8. 46 CFR 92.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 4 2014-10-01 2014-10-01 false Sleeping accommodations. 92.20-20 Section 92.20-20... CONSTRUCTION AND ARRANGEMENT Accommodations for Officers and Crew § 92.20-20 Sleeping accommodations. (a) Where practicable, each licensed officer must be provided with a separate stateroom. (b) Sleeping accommodations...

  9. 46 CFR 108.195 - Location of accommodation spaces.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 4 2012-10-01 2012-10-01 false Location of accommodation spaces. 108.195 Section 108... DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.195 Location of accommodation spaces. (a) On surface type units, accommodation spaces must not be located forward of a...

  10. 46 CFR 108.195 - Location of accommodation spaces.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 4 2014-10-01 2014-10-01 false Location of accommodation spaces. 108.195 Section 108... DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.195 Location of accommodation spaces. (a) On surface type units, accommodation spaces must not be located forward of a...

  11. 46 CFR 108.195 - Location of accommodation spaces.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 4 2013-10-01 2013-10-01 false Location of accommodation spaces. 108.195 Section 108... DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.195 Location of accommodation spaces. (a) On surface type units, accommodation spaces must not be located forward of a...

  12. 46 CFR 108.195 - Location of accommodation spaces.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 4 2011-10-01 2011-10-01 false Location of accommodation spaces. 108.195 Section 108... DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.195 Location of accommodation spaces. (a) On surface type units, accommodation spaces must not be located forward of a...

  13. The IRAM-30 m line survey of the Horsehead PDR. III. High abundance of complex (iso-)nitrile molecules in UV-illuminated gas

    NASA Astrophysics Data System (ADS)

    Gratier, P.; Pety, J.; Guzmán, V.; Gerin, M.; Goicoechea, J. R.; Roueff, E.; Faure, A.

    2013-09-01

    Context. Complex (iso-)nitrile molecules, such as CH3CN and HC3N, are relatively easily detected in our Galaxy and in other galaxies. Aims: We aim at constraining their chemistry through observations of two positions in the Horsehead edge: the photo-dissociation region (PDR) and the dense, cold, and UV-shielded core just behind it. Methods: We systematically searched for lines of CH3CN, HC3N, C3N, and some of their isomers in our sensitive unbiased line survey at 3, 2, and 1 mm. We stacked the lines of C3N to improve the detectability of this species. We derived column densities and abundances through Bayesian analysis using a large velocity gradient radiative transfer model. Results: We report the first clear detection of CH3NC at millimeter wavelength. We detected 17 lines of CH3CN at the PDR and 6 at the dense core position, and we resolved its hyperfine structure for 3 lines. We detected 4 lines of HC3N, and C3N is clearly detected at the PDR position. We computed new electron collisional rate coefficients for CH3CN, andwe found that including electron excitation reduces the derived column density by 40% at the PDR position, where the electron density is 1-5 cm-3. While CH3CN is 30 times more abundant in the PDR (2.5 × 10-10) than in the dense core (8 × 10-12), HC3N has similar abundance at both positions (8 × 10-12). The isomeric ratio CH3NC/CH3CN is 0.15 ± 0.02. Conclusions: The significant amount of complex (iso-)nitrile molecule in the UV illuminated gas is puzzling as the photodissociation is expected to be efficient. This is all the more surprising in the case of CH3CN, which is 30 times more abundant in the PDR than in the dense core. In this case, pure gas phase chemistry cannot reproduce the amount of CH3CN observed in the UV-illuminated gas. We propose that CH3CN gas phase abundance is enhanced when ice mantles of grains are destroyed through photo-desorption or thermal-evaporation in PDRs, and through sputtering in shocks. Based on observations

  14. Accommodation of aminoacyl-tRNA into the ribosome involves reversible excursions along multiple pathways

    PubMed Central

    Whitford, Paul C.; Geggier, Peter; Altman, Roger B.; Blanchard, Scott C.; Onuchic, José N.; Sanbonmatsu, Karissa Y.

    2010-01-01

    The ribosome is a massive ribonucleoprotein complex (∼2.4 MDa) that utilizes large-scale structural fluctuations to produce unidirectional protein synthesis. Accommodation is a key conformational change during transfer RNA (tRNA) selection that allows movement of tRNA into the ribosome. Here, we address the structure–function relationship that governs accommodation using all-atom molecular simulations and single-molecule fluorescence resonance energy transfer (smFRET). Simulations that employ an all-atom, structure-based (Gō-like) model illuminate the interplay between configurational entropy and effective enthalpy during the accommodation process. This delicate balance leads to spontaneous reversible accommodation attempts, which are corroborated by smFRET measurements. The dynamics about the endpoints of accommodation (the A/T and A/A conformations) obtained from structure-based simulations are validated by multiple 100–200 ns explicit-solvent simulations (3.2 million atoms for a cumulative 1.4 μs), and previous crystallographic analysis. We find that the configurational entropy of the 3′-CCA end of aminoacyl-tRNA resists accommodation, leading to a multistep accommodation process that encompasses a distribution of parallel pathways. The calculated mechanism is robust across simulation methods and protocols, suggesting that the structure of the accommodation corridor imposes stringent limitations on the accessible pathways. The identified mechanism and observed parallel pathways establish an atomistic framework for interpreting a large body of biochemical data and demonstrate that conformational changes during translation occur through a stochastic trial-and-error process, rather than in concerted lock-step motions. PMID:20427512

  15. Accommodation of aminoacyl-tRNA into the ribosome involves reversible excursions along multiple pathways.

    PubMed

    Whitford, Paul C; Geggier, Peter; Altman, Roger B; Blanchard, Scott C; Onuchic, José N; Sanbonmatsu, Karissa Y

    2010-06-01

    The ribosome is a massive ribonucleoprotein complex ( approximately 2.4 MDa) that utilizes large-scale structural fluctuations to produce unidirectional protein synthesis. Accommodation is a key conformational change during transfer RNA (tRNA) selection that allows movement of tRNA into the ribosome. Here, we address the structure-function relationship that governs accommodation using all-atom molecular simulations and single-molecule fluorescence resonance energy transfer (smFRET). Simulations that employ an all-atom, structure-based (Gō-like) model illuminate the interplay between configurational entropy and effective enthalpy during the accommodation process. This delicate balance leads to spontaneous reversible accommodation attempts, which are corroborated by smFRET measurements. The dynamics about the endpoints of accommodation (the A/T and A/A conformations) obtained from structure-based simulations are validated by multiple 100-200 ns explicit-solvent simulations (3.2 million atoms for a cumulative 1.4 micros), and previous crystallographic analysis. We find that the configurational entropy of the 3'-CCA end of aminoacyl-tRNA resists accommodation, leading to a multistep accommodation process that encompasses a distribution of parallel pathways. The calculated mechanism is robust across simulation methods and protocols, suggesting that the structure of the accommodation corridor imposes stringent limitations on the accessible pathways. The identified mechanism and observed parallel pathways establish an atomistic framework for interpreting a large body of biochemical data and demonstrate that conformational changes during translation occur through a stochastic trial-and-error process, rather than in concerted lock-step motions. PMID:20427512

  16. Theoretical predictions of the spectroscopic parameters in noble-gas molecules: HXeOH and its complex with water.

    PubMed

    Cukras, Janusz; Sadlej, Joanna

    2011-09-14

    We employ state-of-the-art methods and basis sets to study the effect of inserting the Xe atom into the water molecule and the water dimer on their NMR parameters. Our aim is to obtain predictions for the future experimental investigation of novel xenon complexes by NMR spectroscopy. Properties such as molecular structure and energetics have been studied by supermolecular approaches using HF, MP2, CCSD, CCSD(T) and MP4 methods. The bonding in HXeOH···H(2)O complexes has been analyzed by Symmetry-Adapted Perturbation Theory to provide the intricate insight into the nature of the interaction. We focus on vibrational spectra, NMR shielding and spin-spin coupling constants-experimental signals that reflect the electronic structures of the compounds. The parameters have been calculated at electron-correlated and Dirac-Hartree-Fock relativistic levels. This study has elucidated that the insertion of the Xe atom greatly modifies the NMR properties, including both the electron correlation and relativistic effects, the (129)Xe shielding constants decrease in HXeOH and HXeOH···H(2)O in comparison to Xe atom; the (17)O, as a neighbour of Xe, is deshielded too. The HXeOH···H(2)O complex in its most stable form is stabilized mainly by induction and dispersion energies. PMID:21804992

  17. Experimental and theoretical study on gas-phase ion/molecule reactions of silver trimer cation, Ag{sub 3}{sup +}, with 12-crown-4

    SciTech Connect

    Kumondai, Kousuke; Toyoda, Michisato; Ishihara, Morio; Katakuse, Itsuo; Takeuchi, Takae; Ikeda, Mai; Iwamoto, Kenichi

    2005-07-08

    The reaction mechanisms of silver trimer cation, Ag{sub 3}{sup +}, with 12-crown-4 (12C4) were studied experimentally and theoretically. Using a cylindrical ion trap time-of-flight mass spectrometer, gas-phase ion/molecule reactions of Ag{sub 3}{sup +} with 12C4 were observed. Metal-ligand complexes of [Ag(12C4)]{sup +}, [Ag{sub 3}(12C4)]{sup +} and [Ag{sub 3}(12C4){sub 2}]{sup +}, and of [Ag(12C4){sub 2}]{sup +} and [Ag{sub 3}(12C4){sub 3}]{sup +}, were observed as the reaction intermediates and terminal products, respectively. The formations of the [Ag(12C4)]{sup +} and [Ag(12C4){sub 2}]{sup +} complexes indicated that the neutral dimer (Ag{sub 2}) had been eliminated from the trimer cation. From the results of ab initio calculations at the HF/LanL2DZ level of theory and the experiments, it is suggested that three 12C4 molecules can attach to Ag{sub 3}{sup +} through consecutive reactions and that neutral Ag{sub 2} can be easily eliminated from [Ag{sub 3}(12C4)]{sup +}.

  18. Vibrational effects in a weakly-interacting quantum solvent: The CO molecule in 4He gas and in 4He droplets

    NASA Astrophysics Data System (ADS)

    Paesani, F.; Gianturco, F. A.

    2002-06-01

    The coupling between the intermolecular motion and the internal vibrational coordinate in the He-CO system is computed at the post-Hartree-Fock level using the DFT+DISP model already employed by us for similar systems and reviewed here in the main text. The quality of the computation of such weak effects is compared with other, earlier model calculations and then used for the evaluation of the vibrational relaxation cross sections of the CO molecule diluted in 4He gas. A further assessment of the vibrational coupling is carried out by computing, with a stochastic approach that employs the Diffusion Monte Carlo method, the effects on the vibrational frequency of the CO impurity from its immersion in 4He droplets of variable size. Both sets of results are analyzed and discussed to gauge the reliability of the computed coupling vis-a-vis one of those suggested by earlier calculations. This study provides further evidence on the difficulty of quantitatively obtaining from calculations the extremely small effects connected with molecular vibrational features in this system and caused by the weak interaction between the title molecule and a quantum solvent like 4He.

  19. Collisional properties of cold spin-polarized nitrogen gas: Theory, experiment, and prospects as a sympathetic coolant for trapped atoms and molecules

    SciTech Connect

    Tscherbul, T. V.; Dalgarno, A.; Klos, J.; Zygelman, B.; Pavlovic, Z.; Hummon, M. T.; Lu, H.-I.; Tsikata, E.; Doyle, J. M.

    2010-10-15

    We report a combined experimental and theoretical study of collision-induced dipolar relaxation in a cold spin-polarized gas of atomic nitrogen (N). We use buffer gas cooling to create trapped samples of {sup 14}N and {sup 15}N atoms with densities (5{+-}2)x10{sup 12} cm{sup -3} and measure their magnetic relaxation rates at milli-Kelvin temperatures. These measurements, together with rigorous quantum scattering calculations based on accurate ab initio interaction potentials for the {sup 7}{Sigma}{sub u}{sup +} electronic state of N{sub 2} demonstrate that dipolar relaxation in N+N collisions occurs at a slow rate of {approx}10{sup -13} cm{sup 3}/s over a wide range of temperatures (1 mK to 1 K) and magnetic fields (10 mT to 2 T). The calculated dipolar relaxation rates are insensitive to small variations of the interaction potential and to the magnitude of the spin-exchange interaction, enabling the accurate calibration of the measured N atom density. We find consistency between the calculated and experimentally determined rates. Our results suggest that N atoms are promising candidates for future experiments on sympathetic cooling of molecules.

  20. The detection of optical asymmetry in biogenic molecules by gas chromatography for extraterrestrial space exploration: sample processing studies.

    PubMed

    Pollock, G E; Miyamoto, A K; Oyama, V I

    1970-01-01

    Life detection instrumentation proposed for space missions is necessarily based on fundamental properties of life as we know it. Most biological life detection experiments attempt to elicit biological activity such as metabolism, growth, or reproduction. In addition to these approaches, which could be definitive, it is desirable to attack the problem of life detection as depending on some chemical attribute, since it may be most difficult to elicit a biological response. Fortunately, the property of natural optical activity in organics is synonymous with life, and can be measured by physicochemical methods. The phenomenon of optical activity arising from the selection of one of two possible isomers in living systems has been explained previously. Its detection in extraterrestrial samples would be prima facie evidence for the existence of life. For this reason, among others, gas chromatographic methods for the detection of optical asymmetry have been investigated and developed in recent years. We have preferred the diastereomeric route using (+)-2-butyl derivatives of amino acids and recently we have successfully made and separated derivatives of carbohydrates from glyceraldehyde through some hexoses. A scheme for isolating, purifying and derivatizing amino acids from soils has been devised and applied to rich and poor soils alike. Since the operations involved are simple as shown schematically, the utility of automated wet chemical approaches in space exploration is a distinct possibility. PMID:11826894

  1. Design Principles to Accommodate Older Adults

    PubMed Central

    Farage, Miranda A.; Miller, Kenneth W.; Ajayi, Funmi; Hutchins, Deborah

    2012-01-01

    The global population is aging. In many industrial countries, almost one in five people are over age 65. As people age, gradual changes ensue in vision, hearing, balance, coordination, and memory. Products, communication materials, and the physical environment must be thoughtfully designed to meet the needs of people of all ages. This article summarizes normal changes in sensory function, mobility, balance, memory, and attention that occur with age. It presents practical guidelines that allow design professionals to accommodate these changes and better meet the needs of older adults. Designing for older adults is inclusive design: it accommodates a range of physical and cognitive abilities and promotes simplicity, flexibility, and ease of use for people of any age. PMID:22980147

  2. Strain accommodation beneath structures on Mars

    NASA Technical Reports Server (NTRS)

    Golombek, M. P.; Tanaka, Kenneth L.; Banerdt, W. B.

    1991-01-01

    A recent review of tectonic features on Mars shows that most of their subsurface structures can be confidently extended only a few kilometers deep (exceptions are rifts, in which bounding normal faults penetrate the entire brittle lithosphere, with ductile flow at deeper levels). Nevertheless, a variety of estimates of elastic lithosphere thickness and application of accepted failure criteria under likely conditions on Mars suggest a brittle lithosphere that is many tens of kilometers thick. This raises the question of how the strain (extension or shortening) accommodated by grabens and wrinkle ridges within the upper few kilometers is being accommodated at deeper levels in the lithosphere. Herein, the nonrift tectonic features present on Mars are briefly reviewed, along with their likely subsurface structures, and some inferences and implications are presented for behavior of the deeper lithosphere.

  3. Visual-Accommodation Trainer/Tester

    NASA Technical Reports Server (NTRS)

    Randle, Robert J., Jr.

    1986-01-01

    Ophthalmic instrument tests and helps develop focusing ability. Movable stage on a fixed base permits adjustment of effective target position as perceived by subject. Various apertures used to perform tests and training procedures. Ophthalmic instrument provides four functions: it measures visual near and far points; provides focus stimulus in vision research; measures visual-accommodation resting position; can be used to train for volitional control of person's focus response.

  4. Well log evaluation of natural gas hydrates

    SciTech Connect

    Collett, T.S.

    1992-10-01

    Gas hydrates are crystalline substances composed of water and gas, in which a solid-water-lattice accommodates gas molecules in a cage-like structure. Gas hydrates are globally widespread in permafrost regions and beneath the sea in sediment of outer continental margins. While methane, propane, and other gases can be included in the clathrate structure, methane hydrates appear to be the most common in nature. The amount of methane sequestered in gas hydrates is probably enormous, but estimates are speculative and range over three orders of magnitude from about 100,000 to 270,000,000 trillion cubic feet. The amount of gas in the hydrate reservoirs of the world greedy exceeds the volume of known conventional gas reserves. Gas hydrates also represent a significant drilling and production hazard. A fundamental question linking gas hydrate resource and hazard issues is: What is the volume of gas hydrates and included gas within a given gas hydrate occurrence Most published gas hydrate resource estimates have, of necessity, been made by broad extrapolation of only general knowledge of local geologic conditions. Gas volumes that may be attributed to gas hydrates are dependent on a number of reservoir parameters, including the areal extent ofthe gas-hydrate occurrence, reservoir thickness, hydrate number, reservoir porosity, and the degree of gas-hydrate saturation. Two of the most difficult reservoir parameters to determine are porosity and degreeof gas hydrate saturation. Well logs often serve as a source of porosity and hydrocarbon saturation data; however, well-log calculations within gas-hydrate-bearing intervals are subject to error. The primary reason for this difficulty is the lack of quantitative laboratory and field studies. The primary purpose of this paper is to review the response of well logs to the presence of gas hydrates.

  5. Well log evaluation of natural gas hydrates

    SciTech Connect

    Collett, T.S.

    1992-10-01

    Gas hydrates are crystalline substances composed of water and gas, in which a solid-water-lattice accommodates gas molecules in a cage-like structure. Gas hydrates are globally widespread in permafrost regions and beneath the sea in sediment of outer continental margins. While methane, propane, and other gases can be included in the clathrate structure, methane hydrates appear to be the most common in nature. The amount of methane sequestered in gas hydrates is probably enormous, but estimates are speculative and range over three orders of magnitude from about 100,000 to 270,000,000 trillion cubic feet. The amount of gas in the hydrate reservoirs of the world greedy exceeds the volume of known conventional gas reserves. Gas hydrates also represent a significant drilling and production hazard. A fundamental question linking gas hydrate resource and hazard issues is: What is the volume of gas hydrates and included gas within a given gas hydrate occurrence? Most published gas hydrate resource estimates have, of necessity, been made by broad extrapolation of only general knowledge of local geologic conditions. Gas volumes that may be attributed to gas hydrates are dependent on a number of reservoir parameters, including the areal extent ofthe gas-hydrate occurrence, reservoir thickness, hydrate number, reservoir porosity, and the degree of gas-hydrate saturation. Two of the most difficult reservoir parameters to determine are porosity and degreeof gas hydrate saturation. Well logs often serve as a source of porosity and hydrocarbon saturation data; however, well-log calculations within gas-hydrate-bearing intervals are subject to error. The primary reason for this difficulty is the lack of quantitative laboratory and field studies. The primary purpose of this paper is to review the response of well logs to the presence of gas hydrates.

  6. Polar vortex dynamics during spring and fall diagnosed using trace gas observations from the Atmospheric Trace Molecule Spectroscopy instrument

    NASA Astrophysics Data System (ADS)

    Manney, G. L.; Michelsen, H. A.; Santee, M. L.; Gunson, M. R.; Irion, F. W.; Roche, A. E.; Livesey, N. J.

    1999-08-01

    Trace gases measured by the Atmospheric Trace Molecule Spectroscopy (ATMOS) instrument during three Atmospheric Laboratory for Applications and Science (ATLAS) space-shuttle missions, in March/April 1992 (AT-1), April 1993 (AT-2), and November 1994 (AT-3) have been mapped into equivalent latitude/potential temperature (EqL/θ) coordinates. The asymmetry of the spring vortices results in coverage of subtropical to polar EqLs. EqL/θ fields of long-lived tracers in spring in both hemispheres show the net effects of descent at high EqL throughout the winter, reflecting strong descent in the upper stratosphere, decreasing descent at lower altitudes, and evidence of greater descent at the edge of the lower stratospheric vortex than in the vortex center; these results are consistent with trajectory calculations examining the history of the air measured by ATMOS in the month prior to each mission. EqL/θ tracer fields, the derived fields CH4-CH4* (CH4* is the expected CH4 calculated from a prescribed relationship with N2O for fall) and NOy-NOy* (analogous to CH4*), and parcel histories all indicate regions of strong mixing in the 1994 Southern Hemisphere (SH) spring vortex above 500 K, with the strongest mixing confined to the vortex edge region between 500 and 700 K, and mixing throughout the Northern Hemisphere (NH) spring vortex in 1993 below about 850 K. Parcel histories indicate mixing of extravortex air with air near the vortex edge below 500 K in the SH but not with air in the vortex core; they show extravortex air mixing well into the vortex above ˜450 K in the NH and into the vortex edge region below. The effects of severe denitrification are apparent in EqL/θ HNO3 in the SH lower stratospheric spring vortex. The morphology of HNO3 in the Arctic spring lower stratospheric vortex is consistent with the effects of descent. EqL/θ fields of ATMOS NOy-NOy* show decreases consistent with the effects of mixing throughout the NH lower stratospheric vortex. The Eq

  7. Free-molecule-flow force and moment coefficients of the aeroassist flight experiment vehicle

    NASA Technical Reports Server (NTRS)

    Blanchard, Robert C.; Hinson, Edwin W.

    1989-01-01

    Calculated results for the aerodynamic coefficients over the range of + or - 90 deg in both pitch and yaw attitude angles for the Aeroassist Flight Experiment (AFE) vehicle in free molecule flow are presented. The AFE body is described by a large number of small flat plate surface elements whose orientations are established in a wind axes coordinate system through the pitch and yaw attitude angles. Lift force, drag force, and three components of aerodynamic moment about a specified point are computed for each element. The elemental forces and moments are integrated over the entire body, and total force and moment coefficients are computed. The coefficients are calculated for the two limiting gas-surface molecular collision conditions, namely, specular and diffuse, which assume zero and full thermal accommodation of the incoming gas molecules with the surface, respectively. The individual contribution of the shear stress and pressure terms are calculated and also presented.

  8. Determination of thermal accommodation coefficients from heat transfer measurements between parallel plates.

    SciTech Connect

    Gallis, Michail A.; Castaneda, Jaime N.; Rader, Daniel John; Torczynski, John Robert; Trott, Wayne Merle

    2010-10-01

    Thermal accommodation coefficients have been derived for a variety of gas-surface combinations using an experimental apparatus developed to measure the pressure dependence of the conductive heat flux between parallel plates at unequal temperature separated by a gas-filled gap. The heat flux is inferred from temperature-difference measurements across the plates in a configuration where the plate temperatures are set with two carefully controlled thermal baths. Temperature-controlled shrouds provide for environmental isolation of the opposing test plates. Since the measured temperature differences in these experiments are very small (typically 0.3 C or less over the entire pressure range), high-precision thermistors are used to acquire the requisite temperature data. High-precision components have also been utilized on the other control and measurement subsystems in this apparatus, including system pressure, gas flow rate, plate alignment, and plate positions. The apparatus also includes the capability for in situ plasma cleaning of the installed test plates. Measured heat-flux results are used in a formula based on Direct Simulation Monte Carlo (DSMC) code calculations to determine the thermal accommodation coefficients. Thermal accommodation coefficients have been determined for three different gases (argon, nitrogen, helium) in contact with various surfaces. Materials include metals and alloys such as aluminum, gold, platinum, and 304 stainless steel. A number of materials important to fabrication of Micro Electro Mechanical Systems (MEMS) devices have also been examined. For most surfaces, coefficient values are near 0.95, 0.85, and 0.45 for argon, nitrogen, and helium, respectively. Only slight differences in accommodation as a function of surface roughness have been seen. Surface contamination appears to have a more significant effect: argon plasma treatment has been observed to reduce thermal accommodation by as much as 0.10 for helium. Mixtures of argon and

  9. Determining β2-Integrin and Intercellular Adhesion Molecule 1 Binding Kinetics in Tumor Cell Adhesion to Leukocytes and Endothelial Cells by a Gas-driven Micropipette Assay*

    PubMed Central

    Fu, Changliang; Tong, Chunfang; Wang, Manliu; Gao, Yuxin; Zhang, Yan; Lü, Shouqin; Liang, Shile; Dong, Cheng; Long, Mian

    2011-01-01

    Interactions between polymorphonuclear neutrophils (PMNs) and tumor cells have been reported to facilitate the adhesion and subsequent extravasation of tumor cells through the endothelium under blood flow, both of which are mediated by binding β2-integrin to intercellular adhesion molecule 1 (ICAM-1). Here the adhesions between human WM9 metastatic melanoma cells, PMNs, and human pulmonary microvascular endothelial cells (HPMECs) were quantified by a gas-driven micropipette aspiration technique (GDMAT). Our data indicated that the cellular binding affinity of PMN-WM9 pair was 3.9-fold higher than that of the PMN-HPMEC pair. However, the effective binding affinities per molecular pair were comparable between the two cell pairs no matter whether WM9 cells or HPMECs were quiescent or cytokine-activated, indicating that the stronger adhesion between PMN-WM9 pair is mainly attributed to the high expression of ICAM-1 on WM9 cells. These results proposed an alternative mechanism, where WM9 melanoma cells adhere first with PMNs near vessel-wall regions and then bind to endothelial cells via PMNs under blood flow. In contrast, the adhesions between human MDA-MB-231 metastatic breast carcinoma cells and PMNs showed a comparable cellular binding affinity to PMN-HPMEC pair because the ICAM-1 expressions on MDA-MB-231 cells and HPMECs are similar. Furthermore, differences were observed in the intrinsic forward and reverse rates of the β2-integrin-ICAM-1 bond between PMN-TC and PMN-EC pairs. This GDMAT assay enables us to quantify the binding kinetics of cell adhesion molecules physiologically expressed on nucleated cells. The findings also further the understanding of leukocyte-facilitated tumor cell adhesion from the viewpoint of molecular binding kinetics. PMID:21840991

  10. Variation and decomposition of the partial molar volume of small gas molecules in different organic solvents derived from molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Klähn, Marco; Martin, Alistair; Cheong, Daniel W.; Garland, Marc V.

    2013-12-01

    The partial molar volumes, bar V_i, of the gas solutes H2, CO, and CO2, solvated in acetone, methanol, heptane, and diethylether are determined computationally in the limit of infinite dilution and standard conditions. Solutions are described with molecular dynamics simulations in combination with the OPLS-aa force field for solvents and customized force field for solutes. bar V_i is determined with the direct method, while the composition of bar V_i is studied with Kirkwood-Buff integrals (KBIs). Subsequently, the amount of unoccupied space and size of pre-formed cavities in pure solvents is determined. Additionally, the shape of individual solvent cages is analyzed. Calculated bar V_i deviate only 3.4 cm3 mol-1 (7.1%) from experimental literature values. Experimental bar V_i variations across solutions are reproduced qualitatively and also quantitatively in most cases. The KBI analysis identifies differences in solute induced solvent reorganization in the immediate vicinity of H2 (<0.7 nm) and solvent reorganization up to the third solvation shell of CO and CO2 (<1.6 nm) as the origin of bar V_i variations. In all solutions, larger bar V_i are found in solvents that exhibit weak internal interactions, low cohesive energy density and large compressibility. Weak internal interactions facilitate solvent displacement by thermal solute movement, which enhances the size of solvent cages and thus bar V_i. Additionally, attractive electrostatic interactions of CO2 and the solvents, which do not depend on internal solvent interactions only, partially reversed the bar V_i trends observed in H2 and CO solutions where electrostatic interactions with the solvents are absent. More empty space and larger pre-formed cavities are found in solvents with weak internal interactions, however, no evidence is found that solutes in any considered solvent are accommodated in pre-formed cavities. Individual solvent cages are found to be elongated in the negative direction of solute

  11. The effect of H2O gas on volatilities of planet-forming major elements. I - Experimental determination of thermodynamic properties of Ca-, Al-, and Si-hydroxide gas molecules and its application to the solar nebula

    NASA Technical Reports Server (NTRS)

    Hashimoto, Akihiko

    1992-01-01

    The vapor pressures of Ca(OH)2(g), Al(OH)3(g), and Si(OH)4(g) molecules in equilibrium with solid calcium-, aluminum, and silicon-oxides, respectively, were determined, and were used to derive the heats of formation and entropies of these species, which are expected to be abundant under the currently postulated physical conditions in the primordial solar nebula. These data, in conjunction with thermodynamic data from literature, were used to calculate the relative abundances of M, MO(x), and M(OH)n gas species and relative volatilities of Fe, Mg, Si, Ca, and Al for ranges of temperature, total pressure, and H/O abundance ratio corresponding to the plausible ranges of physical conditions in the solar nebula. The results are used to explain how Ca and Al could have evaporated from Ca,Al-rich inclusions in carbonaceous chondrites, while Si, Mg, and Fe condensed onto them during the preaccretion alteration of CAIs.

  12. Accommodation of COTS LCDs in military displays

    NASA Astrophysics Data System (ADS)

    Armstrong, James B.; Henz, James M.; Dodd, Sonia R.

    1998-09-01

    Commercial off the shelf (COTS) liquid crystal displays are attractive as an alternative to LCDs that are custom designed and manufactured for the military environment. Commercial displays require significant modification to accommodate their use. This paper describes specific modifications that create a thermal cocoon around a nominal 3.6 X 4.6-inch commercial industrial/automotive display. The thermal design techniques allow the display to function in the particularly challenging F-16 thermal environment without exceeding the display's operating specification. The work is extended to examine what additional design extensions are required for still larger displays.

  13. Strain accommodation in inelastic deformation of glasses

    NASA Astrophysics Data System (ADS)

    Murali, P.; Ramamurty, U.; Shenoy, Vijay B.

    2007-01-01

    Motivated by recent experiments on metallic glasses, we examine the micromechanisms of strain accommodation including crystallization and void formation during inelastic deformation of glasses by employing molecular statics simulations. Our atomistic simulations with Lennard-Jones-like potentials suggests that a softer short range interaction between atoms favors crystallization. Compressive hydrostatic strain in the presence of a shear strain promotes crystallization whereas a tensile hydrostatic strain is found to induce voids. The deformation subsequent to the onset of crystallization includes partial reamorphization and recrystallization, suggesting important atomistic mechanisms of plastic dissipation in glasses.

  14. Molecule nanoweaver

    DOEpatents

    Gerald, II; Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

    2009-03-10

    A method, apparatus, and system for constructing uniform macroscopic films with tailored geometric assemblies of molecules on the nanometer scale. The method, apparatus, and system include providing starting molecules of selected character, applying one or more force fields to the molecules to cause them to order and condense with NMR spectra and images being used to monitor progress in creating the desired geometrical assembly and functionality of molecules that comprise the films.

  15. Electrosonic spray ionization. A gentle technique for generating folded proteins and protein complexes in the gas phase and for studying ion-molecule reactions at atmospheric pressure.

    PubMed

    Takáts, Zoltán; Wiseman, Justin M; Gologan, Bogdan; Cooks, R Graham

    2004-07-15

    Electrosonic spray ionization (ESSI), a variant on electrospray ionization (ESI), employs a traditional micro ESI source with supersonic nebulizing gas. The high linear velocity of the nebulizing gas provides efficient pneumatic spraying of the charged liquid sample. The variable electrostatic potential can be tuned to allow efficient and gentle ionization. This ionization method is successfully applied to aqueous solutions of various proteins at neutral pH, and its performance is compared to that of the nanospray and micro ESI techniques. Evidence for efficient desolvation during ESSI is provided by the fact that the peak widths for various multiply charged protein ions are an order of magnitude narrower than those for nanospray. Narrow charge-state distributions compared to other ESI techniques are observed also; for most of the proteins studied, more than 90% of the protein ions can be accumulated in one charge state using ESSI when optimizing conditions. The fact that the abundant charge state is normally as low or lower than that recorded by ESI or nanospray indicates that folded protein ions are generated. The sensitivity of the ionization technique to high salt concentrations is comparable to that of nanospray, but ESSI is considerably less sensitive to high concentrations of organic additives such as glycerol or 2-amino-2-(hydroxymethyl)-1,3-propanediol (Tris base). Noncovalent complexes are observed in the case of myoglobin, protein kinase A/ATP complex, and other proteins. The extent of dissociation of protein ions in ESSI is comparable to or even smaller than that in the case of nanospray, emphasizing the gentle nature of the method. The unique features of ESSI are ascribed to very efficient spraying and the low internal energy supplied to the ions. Evidence is provided that the method is capable of generating fully desolvated protein ions at atmospheric pressure. This allows the technique to be used for the study of ion-molecule reactions at atmospheric

  16. Dissociation energy of molecules in dense gases

    NASA Technical Reports Server (NTRS)

    Kunc, J. A.

    1992-01-01

    A general approach is presented for calculating the reduction of the dissociation energy of diatomic molecules immersed in a dense (n = less than 10 exp 22/cu cm) gas of molecules and atoms. The dissociation energy of a molecule in a dense gas differs from that of the molecule in vacuum because the intermolecular forces change the intramolecular dynamics of the molecule, and, consequently, the energy of the molecular bond.

  17. Student Perceptions of the Accommodation Process in Postsecondary Education

    ERIC Educational Resources Information Center

    Kurth, Noelle; Mellard, Daryl

    2006-01-01

    One cause of the underrepresentation of students with disabilities in postsecondary education may be a lack of appropriate and effective accommodations (e.g., West et al., 1993). This study hypothesized that ineffective and inappropriate accommodations result from an accommodation selection process that focuses on disability type rather than…

  18. Extended Time Testing Accommodations: What Does the Research Say?

    ERIC Educational Resources Information Center

    Lovett, Benjamin J.

    2011-01-01

    Extended time is among the most common testing accommodations given to students with a wide range of disabilities. However, although school psychologists are often involved in accommodation decisions, many are unaware of research from the past decade that has changed their understanding of extended time. Used properly, testing accommodations let…

  19. 28 CFR 36.310 - Transportation provided by public accommodations.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 28 Judicial Administration 1 2011-07-01 2011-07-01 false Transportation provided by public... BASIS OF DISABILITY BY PUBLIC ACCOMMODATIONS AND IN COMMERCIAL FACILITIES Specific Requirements § 36.310 Transportation provided by public accommodations. (a) General. (1) A public accommodation that...

  20. 28 CFR 36.310 - Transportation provided by public accommodations.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 28 Judicial Administration 1 2014-07-01 2014-07-01 false Transportation provided by public... BASIS OF DISABILITY BY PUBLIC ACCOMMODATIONS AND IN COMMERCIAL FACILITIES Specific Requirements § 36.310 Transportation provided by public accommodations. (a) General. (1) A public accommodation that...

  1. 28 CFR 36.310 - Transportation provided by public accommodations.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Transportation provided by public... BASIS OF DISABILITY BY PUBLIC ACCOMMODATIONS AND IN COMMERCIAL FACILITIES Specific Requirements § 36.310 Transportation provided by public accommodations. (a) General. (1) A public accommodation that...

  2. 28 CFR 36.310 - Transportation provided by public accommodations.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 28 Judicial Administration 1 2013-07-01 2013-07-01 false Transportation provided by public... BASIS OF DISABILITY BY PUBLIC ACCOMMODATIONS AND IN COMMERCIAL FACILITIES Specific Requirements § 36.310 Transportation provided by public accommodations. (a) General. (1) A public accommodation that...

  3. 28 CFR 36.310 - Transportation provided by public accommodations.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 28 Judicial Administration 1 2012-07-01 2012-07-01 false Transportation provided by public... BASIS OF DISABILITY BY PUBLIC ACCOMMODATIONS AND IN COMMERCIAL FACILITIES Specific Requirements § 36.310 Transportation provided by public accommodations. (a) General. (1) A public accommodation that...

  4. Accommodation Practices for English Language Learners in States' Mathematics Assessments

    ERIC Educational Resources Information Center

    Wolf, Mikyung Kim; Kao, Jenny C.; Rivera, Nichole M.; Chang, Sandy M.

    2012-01-01

    Background/Context: Testing accommodations have been widely utilized as a way of increasing the validity of content assessments for English language learner (ELL) students. However, concerns have also arisen regarding the appropriateness of accommodation use, including the accessibility and fairness of accommodations. While many states have…

  5. 46 CFR 167.50-1 - Hospital accommodations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 7 2010-10-01 2010-10-01 false Hospital accommodations. 167.50-1 Section 167.50-1... SHIPS Accommodations § 167.50-1 Hospital accommodations. Each nautical school ship, which makes voyages... compartment suitably separated from other spaces for hospital purposes, and such compartment shall have...

  6. 46 CFR 108.211 - Miscellaneous accommodation spaces.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 4 2010-10-01 2010-10-01 false Miscellaneous accommodation spaces. 108.211 Section 108... DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.211 Miscellaneous accommodation spaces. (a) Each unit must have enough facilities for personnel to wash their own...

  7. 46 CFR 108.197 - Construction of accommodation spaces.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 4 2010-10-01 2010-10-01 false Construction of accommodation spaces. 108.197 Section... UNITS DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.197 Construction of accommodation spaces. (a) Each sleeping, mess, recreational, or hospital space that is adjacent to...

  8. 46 CFR 154.325 - Accommodation, service, and control spaces.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Accommodation, service, and control spaces. 154.325... Equipment Ship Arrangements § 154.325 Accommodation, service, and control spaces. (a) Accommodation, service, and control spaces must be outside the cargo area. (b) If a hold space having a cargo...

  9. An Analysis and Rejection of Arguments for Religious Accommodation

    ERIC Educational Resources Information Center

    Kline, Lisa Anne

    2009-01-01

    This dissertation provides a comprehensive critical analysis of six main arguments for religious accommodation, with a specific focus on fundamentalist religious groups and the accommodation of their practices within liberal democratic societies. This analysis reveals that the types of practices that these arguments aim to accommodate primarily…

  10. State Policies on Assessment Participation and Accommodations, 2001. Synthesis Report.

    ERIC Educational Resources Information Center

    Thurlow, Martha L.; Lazarus, Sheryl; Thompson, Sandra; Robey, Jennifer

    This report presents findings of an analysis of state policies on student participation in assessments and accommodations for 2001. Major findings include: (1) participation options beyond the usual three (participation without accommodations, participation with accommodations, alternate assessment) have become more evident and include partial…

  11. Job Accommodation System: Project TIE (Technology in Employment).

    ERIC Educational Resources Information Center

    Roberts, Gary; Zimbrich, Karen; Butterworth, John; Hart, Debra

    This manual presents a comprehensive evaluation tool that can be used by employees with disabilities, by rehabilitation practitioners, and by consultants to develop job accommodations in a variety of employment settings. The Job Accommodation System is designed to help in identifying, selecting, and implementing job accommodations and consists of…

  12. 46 CFR 92.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 4 2010-10-01 2010-10-01 false Sleeping accommodations. 92.20-20 Section 92.20-20 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CARGO AND MISCELLANEOUS VESSELS CONSTRUCTION AND ARRANGEMENT Accommodations for Officers and Crew § 92.20-20 Sleeping accommodations. (a) Where practicable, each licensed officer must...

  13. 46 CFR 72.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 3 2010-10-01 2010-10-01 false Sleeping accommodations. 72.20-20 Section 72.20-20 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) PASSENGER VESSELS CONSTRUCTION AND ARRANGEMENT Accommodations for Officers and Crew § 72.20-20 Sleeping accommodations. (a) Where practicable, each licensed officer shall be provided with...

  14. Assessment of launch site accommodations versus Spacelab payload requirements

    NASA Technical Reports Server (NTRS)

    1977-01-01

    The Kennedy launch site capability for accommodating spacelab payload operations was assessed. Anomalies between facility accommodations and requirements for the Spacelab III (Strawman), OA Mission 83-2, Dedicated Life Sciences, and Combined Astronomy missions are noted. Recommendations for revision of the accommodations handbook are summarized.

  15. Quick and Easy Adaptations and Accommodations for Early Childhood Students

    ERIC Educational Resources Information Center

    Breitfelder, Leisa M.

    2008-01-01

    Research-based information is used to support the idea of the use of adaptations and accommodations for early childhood students who have varying disabilities. Multiple adaptations and accommodations are outlined. A step-by-step plan is provided on how to make specific adaptations and accommodations to fit the specific needs of early childhood…

  16. 46 CFR 167.50-1 - Hospital accommodations.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 7 2014-10-01 2014-10-01 false Hospital accommodations. 167.50-1 Section 167.50-1 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) NAUTICAL SCHOOLS PUBLIC NAUTICAL SCHOOL SHIPS Accommodations § 167.50-1 Hospital accommodations. Each nautical school ship, which makes...

  17. 46 CFR 167.50-1 - Hospital accommodations.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 7 2012-10-01 2012-10-01 false Hospital accommodations. 167.50-1 Section 167.50-1 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) NAUTICAL SCHOOLS PUBLIC NAUTICAL SCHOOL SHIPS Accommodations § 167.50-1 Hospital accommodations. Each nautical school ship, which makes voyages of more than 3 days' duration between...

  18. 46 CFR 167.50-1 - Hospital accommodations.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 7 2013-10-01 2013-10-01 false Hospital accommodations. 167.50-1 Section 167.50-1 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) NAUTICAL SCHOOLS PUBLIC NAUTICAL SCHOOL SHIPS Accommodations § 167.50-1 Hospital accommodations. Each nautical school ship, which makes...

  19. 46 CFR 167.50-1 - Hospital accommodations.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 7 2011-10-01 2011-10-01 false Hospital accommodations. 167.50-1 Section 167.50-1 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) NAUTICAL SCHOOLS PUBLIC NAUTICAL SCHOOL SHIPS Accommodations § 167.50-1 Hospital accommodations. Each nautical school ship, which makes...

  20. 46 CFR 108.197 - Construction of accommodation spaces.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 4 2014-10-01 2014-10-01 false Construction of accommodation spaces. 108.197 Section... UNITS DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.197 Construction of accommodation spaces. (a) Each sleeping, mess, recreational, or hospital space that is adjacent to...

  1. 46 CFR 108.211 - Miscellaneous accommodation spaces.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 4 2014-10-01 2014-10-01 false Miscellaneous accommodation spaces. 108.211 Section 108... DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.211 Miscellaneous accommodation spaces. (a) Each unit must have enough facilities for personnel to wash their own...

  2. 46 CFR 108.197 - Construction of accommodation spaces.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 4 2012-10-01 2012-10-01 false Construction of accommodation spaces. 108.197 Section... UNITS DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.197 Construction of accommodation spaces. (a) Each sleeping, mess, recreational, or hospital space that is adjacent to...

  3. 46 CFR 154.325 - Accommodation, service, and control spaces.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 5 2013-10-01 2013-10-01 false Accommodation, service, and control spaces. 154.325... Equipment Ship Arrangements § 154.325 Accommodation, service, and control spaces. (a) Accommodation, service, and control spaces must be outside the cargo area. (b) If a hold space having a cargo...

  4. 46 CFR 108.197 - Construction of accommodation spaces.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 4 2013-10-01 2013-10-01 false Construction of accommodation spaces. 108.197 Section... UNITS DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.197 Construction of accommodation spaces. (a) Each sleeping, mess, recreational, or hospital space that is adjacent to...

  5. 46 CFR 108.211 - Miscellaneous accommodation spaces.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 4 2012-10-01 2012-10-01 false Miscellaneous accommodation spaces. 108.211 Section 108... DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.211 Miscellaneous accommodation spaces. (a) Each unit must have enough facilities for personnel to wash their own...

  6. 46 CFR 108.211 - Miscellaneous accommodation spaces.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 4 2013-10-01 2013-10-01 false Miscellaneous accommodation spaces. 108.211 Section 108... DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.211 Miscellaneous accommodation spaces. (a) Each unit must have enough facilities for personnel to wash their own...

  7. 46 CFR 154.325 - Accommodation, service, and control spaces.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 5 2011-10-01 2011-10-01 false Accommodation, service, and control spaces. 154.325... Equipment Ship Arrangements § 154.325 Accommodation, service, and control spaces. (a) Accommodation, service, and control spaces must be outside the cargo area. (b) If a hold space having a cargo...

  8. 46 CFR 108.211 - Miscellaneous accommodation spaces.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 4 2011-10-01 2011-10-01 false Miscellaneous accommodation spaces. 108.211 Section 108... DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.211 Miscellaneous accommodation spaces. (a) Each unit must have enough facilities for personnel to wash their own...

  9. 46 CFR 108.197 - Construction of accommodation spaces.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 4 2011-10-01 2011-10-01 false Construction of accommodation spaces. 108.197 Section... UNITS DESIGN AND EQUIPMENT Construction and Arrangement Accommodation Spaces § 108.197 Construction of accommodation spaces. (a) Each sleeping, mess, recreational, or hospital space that is adjacent to...

  10. Orientational ordering, site structure, and dynamics for octahedral molecules in low temperature matrices: SF6 and SeF6 in rare gas solidsa)

    NASA Astrophysics Data System (ADS)

    Jones, Llewellyn H.; Swanson, Basil I.

    1983-08-01

    From polarization studies of high resolution IR spectra of SF6 and SeF6 trapped in noble gas solids we show that much of the structure observed for the stretching mode represents site symmetry split components for low symmetry trapping sites, the triply-degenerate ν3 mode being split into a doubly- and singly-degenerate mode. Most of the sites showing polarization are orientationally ordered with the singly-degenerate component perpendicular to the substrate. We attribute the driving force for ordering to guest-host interaction potentials which result in registry between the molecules and the (111) growth plane during deposition. The observed orientational ordering combined with high temperature annealing studies has allowed the identification of the symmetry of certain trapping sites and further analysis of vibrational dephasing dynamics. Several sites with the same nominal symmetry and structure can be tracked through the matrices discussed herein. The implications of the ordering of impurity structure in a host lattice formed by vapor deposition are discussed.

  11. Orientational ordering, site structure, and dynamics for octahedral molecules in low temperature matrices: SF/sub 6/ and SeF/sub 6/ in rare gas solids

    SciTech Connect

    Jones, L.H.; Swanson, B.I.

    1983-08-01

    From polarization studies of high resolution IR spectra of SF/sub 6/ and SeF/sub 6/ trapped in noble gas solids we show that much of the structure observed for the stretching mode represents site symmetry split components for low symmetry trapping sites, the triply-degenerate ..nu../sub 3/ mode being split into a doubly- and singly-degenerate mode. Most of the sites showing polarization are orientationally ordered with the singly-degenerate component perpendicular to the substrate. We attribute the driving force for ordering to guest--host interaction potentials which result in registry between the molecules and the (111) growth plane during deposition. The observed orientational ordering combined with high temperature annealing studies has allowed the identification of the symmetry of certain trapping sites and further analysis of vibrational dephasing dynamics. Several sites with the same nominal symmetry and structure can be tracked through the matrices discussed herein. The implications of the ordering of impurity structure in a host lattice formed by vapor deposition are discussed.

  12. Optimal integral controller with sensor failure accommodation

    NASA Technical Reports Server (NTRS)

    Alberts, T.; Houlihan, T.

    1989-01-01

    An Optimal Integral Controller that readily accommodates Sensor Failure - without resorting to (Kalman) filter or observer generation - has been designed. The system is based on Navy-sponsored research for the control of high performance aircraft. In conjunction with a NASA developed Numerical Optimization Code, the Integral Feedback Controller will provide optimal system response even in the case of incomplete state feedback. Hence, the need for costly replication of plant sensors is avoided since failure accommodation is effected by system software reconfiguration. The control design has been applied to a particularly ill-behaved, third-order system. Dominant-root design in the classical sense produced an almost 100 percent overshoot for the third-order system response. An application of the newly-developed Optimal Integral Controller - assuming all state information available - produces a response with no overshoot. A further application of the controller design - assuming a one-third sensor failure scenario - produced a slight overshoot response that still preserved the steady state time-point of the full-state feedback response. The control design should have wide application in space systems.

  13. Analysis of human crystalline lens accommodation.

    PubMed

    Chien, Chang-Hai M; Huang, Tseng; Schachar, Ronald A

    2006-01-01

    The behavior of the human crystalline lens during accommodation is analytically studied. The lens is modeled as a closed axisymmetrical membrane shell of varying thickness enclosing an incompressible liquid. To simulate zonular tension associated with lenticular accommodation, an axisymmetrical radial force or displacement is imposed around the shell equator. Two second-order, simultaneous, nonlinear governing differential equations are derived. Numerical results, obtained from the investigation of human lens profiles of three independently published MRI images and a drawing of a microphotograph, demonstrate that when zonular traction within the physiological force range of the ciliary muscle is exerted, both central lens thickness and central optical power increase. Qualitatively, these increases are independent of lens shape. However, the magnitude of these changes is dependent on the initial profile of the lens and is enhanced by the "natural" variation in capsular thickness. Only when a pulling force significantly exceeds the force capacity of the ciliary muscle does the lens flatten and its central thickness and optical power decrease. PMID:16023655

  14. Manned Mars mission accommodation: Sprint mission

    NASA Technical Reports Server (NTRS)

    Cirillo, William M.; Kaszubowski, Martin J.; Ayers, J. Kirk; Llewellyn, Charles P.; Weidman, Deene J.; Meredith, Barry D.

    1988-01-01

    The results of a study conducted at the NASA-LaRC to assess the impacts on the Phase 2 Space Station of Accommodating a Manned Mission to Mars are documented. In addition, several candidate transportation node configurations are presented to accommodate the assembly and verification of the Mars Mission vehicles. This study includes an identification of a life science research program that would need to be completed, on-orbit, prior to mission departure and an assessment of the necessary orbital technology development and demonstration program needed to accomplish the mission. Also included is an analysis of the configuration mass properties and a preliminary analysis of the Space Station control system sizing that would be required to control the station. Results of the study indicate the Phase 2 Space Station can support a manned mission to Mars with the addition of a supporting infrastructure that includes a propellant depot, assembly hangar, and a heavy lift launch vehicle to support the large launch requirements.

  15. Defect accommodation in nanostructured soft crystals.

    PubMed

    Exner, Alexander; Rosenfeldt, Sabine; Fischer, Steffen; Lindner, Peter; Förster, Stephan

    2014-01-01

    A detailed analysis of the structure of lyotropic micellar FCC soft crystals was performed by scanning small-angle neutron scattering. Soft crystals have a large number of structural defects, leading to characteristic features in the scattering patterns such as secondary Bragg peaks, diffuse scattering lines, and paracrystalline distortions. We find that the presence of a large number of defects locally breaks the three-dimensional symmetry of the crystal, leading to weakly correlated assemblies of stacked {111} layers. Positional correlations of micelles in different layers are very short ranged, with correlation lengths corresponding to only a few layers. Within the layers, in-plane positional correlations are somewhat longer ranged, but still corresponding to only a few unit cells. Depending on the polydispersity, soft crystals accommodate defects to form mesocrystals of iso-oriented mosaic domains, or paracrystals. The soft layer structures already show characteristic features of two-dimensional systems, exhibiting short-range positional order and longer-ranged orientational order, with similarities to hexatic and recently observed soft quasicrystalline structures. The study shows that defects can be differently accommodated in soft crystals, thereby strongly affecting local and macroscopic positional and orientational order. PMID:24336833

  16. Manned Mars mission accommodation: Sprint mission

    NASA Astrophysics Data System (ADS)

    Cirillo, William M.; Kaszubowski, Martin J.; Ayers, J. Kirk; Llewellyn, Charles P.; Weidman, Deene J.; Meredith, Barry D.

    1988-04-01

    The results of a study conducted at the NASA-LaRC to assess the impacts on the Phase 2 Space Station of Accommodating a Manned Mission to Mars are documented. In addition, several candidate transportation node configurations are presented to accommodate the assembly and verification of the Mars Mission vehicles. This study includes an identification of a life science research program that would need to be completed, on-orbit, prior to mission departure and an assessment of the necessary orbital technology development and demonstration program needed to accomplish the mission. Also included is an analysis of the configuration mass properties and a preliminary analysis of the Space Station control system sizing that would be required to control the station. Results of the study indicate the Phase 2 Space Station can support a manned mission to Mars with the addition of a supporting infrastructure that includes a propellant depot, assembly hanger, and a heavy lift launch vehicle to support the large launch requirements.

  17. The OEOP Duties of Reasonable Accommodation

    NASA Technical Reports Server (NTRS)

    Coppedge, Angela

    1995-01-01

    I was fortunate enough to be assigned two assignments during my ten weeks here at NASA's Langley Research Center, in the Office of Equal Opportunity Programs (OEOP). One of my projects gave me the chance to gain experience in developing calculation formulas for the EXCEL computer system, while my second project gave me the chance to put my research skills and legal knowledge to use. The function of the OEOP is to ensure the adherence to personnel policy and practices in the employment, development, advancement and treatment of Federal employees and applicants for employment. This includes veterans and disabled as well. My initial project involved the research of hiring and promotion among the different minorities and females employed here at Langley. The objective of my first project was to develop graphs that showed the number of promotions during the past five years for each minority group here on the Center. I also had to show the average number of years it took for each promotion. The objective of my second and main research project was to find and research cases regarding the reasonable accommodation of disabled workers. The research of these cases is to ensure that individuals with disabilities are provided the necessary accommodations that are essential to the function of their job.

  18. Sticking of Molecules on Nonporous Amorphous Water Ice

    NASA Astrophysics Data System (ADS)

    He, Jiao; Acharyya, Kinsuk; Vidali, Gianfranco

    2016-05-01

    Accurate modeling of physical and chemical processes in the interstellar medium (ISM) requires detailed knowledge of how atoms and molecules adsorb on dust grains. However, the sticking coefficient, a number between 0 and 1 that measures the first step in the interaction of a particle with a surface, is usually assumed in simulations of ISM environments to be either 0.5 or 1. Here we report on the determination of the sticking coefficient of H2, D2, N2, O2, CO, CH4, and CO2 on nonporous amorphous solid water. The sticking coefficient was measured over a wide range of surface temperatures using a highly collimated molecular beam. We showed that the standard way of measuring the sticking coefficient—the King–Wells method—leads to the underestimation of trapping events in which there is incomplete energy accommodation of the molecule on the surface. Surface scattering experiments with the use of a pulsed molecular beam are used instead to measure the sticking coefficient. Based on the values of the measured sticking coefficient, we suggest a useful general formula of the sticking coefficient as a function of grain temperature and molecule-surface binding energy. We use this formula in a simulation of ISM gas–grain chemistry to find the effect of sticking on the abundance of key molecules both on grains and in the gas phase.

  19. Selective IR multiphoton dissociation of molecules in a pulsed gas-dynamically cooled molecular flow interacting with a solid surface as an alternative to low-energy methods of molecular laser isotope separation

    NASA Astrophysics Data System (ADS)

    Makarov, G. N.; Petin, A. N.

    2016-03-01

    We report the results of studies on the isotope-selective infrared multiphoton dissociation (IR MFD) of SF6 and CF3I molecules in a pulsed, gas-dynamically cooled molecular flow interacting with a solid surface. The productivity of this method in the conditions of a specific experiment (by the example of SF6 molecules) is evaluated. A number of low-energy methods of molecular laser isotope separation based on the use of infrared lasers for selective excitation of molecules are analysed and their productivity is estimated. The methods are compared with those of selective dissociation of molecules in the flow interacting with a surface. The advantages of this method compared to the low-energy methods of molecular laser isotope separation and the IR MPD method in the unperturbed jets and flows are shown. It is concluded that this method could be a promising alternative to the low-energy methods of molecular laser isotope separation.

  20. Microscale Gas-Surface Interactions

    NASA Astrophysics Data System (ADS)

    Trott, W. M.; Rader, D. J.; Gallis, M. A.; Torczynski, J. R.

    2004-11-01

    In gas-filled microsystems, noncontinuum phenomena such as velocity slip and temperature jump become increasingly important as devices become smaller or packaging pressures are reduced. These phenomena are governed by the interaction of gas molecules with the adjacent solid surfaces. Experiments are performed to quantify the interaction of common gases (e.g., nitrogen, argon, helium) with solids of interest for microsystems (e.g., stainless steel, aluminum, gold, silicon dioxide, silicon). The gas is confined between two parallel plates at unequal temperatures, and the gas-phase heat flux is inferred from temperature measurements (radiation is accounted for). For comparison purposes, heat-flux values are also inferred from electron-beam-fluorescence measurements of the gas-phase density gradient. Heat-flux values at several pressures allow the accommodation coefficient to be determined. As well as being useful in its own right, this type of information enables molecular gas dynamics simulations of microscale gas flow using Bird's Direct Simulation Monte Carlo (DSMC) method. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  1. Saccades reduce latency and increase velocity of ocular accommodation.

    PubMed

    Schor, C M; Lott, L A; Pope, D; Graham, A D

    1999-11-01

    Horizontal vergence can be stimulated binocularly with disparity (disparity vergence) or monocularly with accommodation (accommodative vergence). The latter results from a neural cross-coupling that causes both horizontal vergence and accommodation to respond when either one is stimulated [Alpern, M., & Ellen, P. (1956). American Journal of Ophthalmology, 42, 289-303]. The velocity of disparity and accommodative vergence is enhanced when accompanied by saccades [Enright, J. T. (1984). Journal of Physiology (London) 350, 9-31; Enright, J. T. (1986). Journal of Physiology (London) 371, 69-89]. Based upon the coupling between accommodation and vergence, we predicted that accommodation should also be facilitated by saccades. An SRI Dual Purkinje Eyetracker was used to measure left and right eye position, and the accommodation of the left eye, in response to stimulation. Horizontal saccades were stimulated by targets separated by 2-6 degrees and accommodation was stimulated monocularly over a range of +/- 2 diopters (D). When saccades occurred within 0-400 ms following a monocular step stimulus to accommodation, latency of accommodation decreased and the associated accommodative-vergence response was synchronized with the saccade. Saccades also enhanced the velocity of accommodation and accommodative-vergence, and this facilitation increased with saccade amplitude. Transient vergence responses that are normally associated with saccades [Erkelens, C. J., Steinman, R. M., & Collewijn, H. (1989). Proceedings of the Royal Society of London B. Biological Sciences, 236, 441-465; Maxwell, J. S., & King, W. M. (1992). Journal of Neurophysiology, 68 (4), 1248-1260] did not affect accommodation when it was not stimulated by defocus. Because saccades and accommodation utilize separate plants and final common pathways, the synchronization of saccades and accommodation and the enhanced velocity of accommodation and accommodative-vergence must occur at more central sites

  2. Accommodation Hell, or, To Hell with Accommodation: The ADA and the Administration.

    ERIC Educational Resources Information Center

    Robinson, William L.

    This material is designed to help faculty understand the requirements of the Americans with Disabilities Act of 1990 (ADA). A brief overview notes three key considerations: the definition of disability, reasonable accommodation, and undue hardship, and then discusses faculty liability and responsibility for discriminatory acts. The balance of the…

  3. Astrophysical payload accommodation on the space station

    NASA Technical Reports Server (NTRS)

    Woods, B. P.

    1985-01-01

    Surveys of potential space station astrophysics payload requirements and existing point mount design concepts were performed to identify potential design approaches for accommodating astrophysics instruments from space station. Most existing instrument pointing systems were designed for operation from the space shuttle and it is unlikely that they will sustain their performance requirements when exposed to the space station disturbance environment. The technology exists or is becoming available so that precision pointing can be provided from the space station manned core. Development of a disturbance insensitive pointing mount is the key to providing a generic system for space station. It is recommended that the MSFC Suspended Experiment Mount concept be investigated for use as part of a generic pointing mount for space station. Availability of a shirtsleeve module for instrument change out, maintenance and repair is desirable from the user's point of view. Addition of a shirtsleeve module on space station would require a major program commitment.

  4. Accommodating life sciences on the Space Station

    NASA Technical Reports Server (NTRS)

    Arno, Roger D.

    1987-01-01

    The NASA Ames Research Center Biological Research Project (BRP) is responsible for identifying and accommodating high priority life science activities, utilizing nonhuman specimens, on the Space Station and is charged to bridge the gap between the science community and the Space Station Program. This paper discusses the approaches taken by the BRP in accomodating these research objectives to constraints imposed by the Space Station System, while maintaining a user-friendly environment. Consideration is given to the particular research disciplines which are given priority, the science objectives in each of these disciplines, the functions and activities required by these objectives, the research equipment, and the equipment suits. Life sciences programs planned by the Space Station participating partners (USA, Europe, Japan, and Canada) are compared.

  5. The interactive processes of accommodation and vergence.

    PubMed

    Semmlow, J L; Bérard, P V; Vercher, J L; Putteman, A; Gauthier, G M

    1994-01-01

    A near target generates two different, though related stimuli: image disparity and image blur. Fixation of that near target evokes three motor responses: the so-called oculomotor "near triad". It has long been known that both disparity and blur stimuli are each capable of independently generating all three responses, and a recent theory of near triad control (the Dual Interactive Theory) describes how these stimulus components normally work together in the aid of near vision. However, this theory also indicates that when the system becomes unbalanced, as in high AC/A ratios of some accommodative esotropes, the two components will become antagonistic. In this situation, the interaction between the blur and disparity driven components exaggerates the imbalance created in the vergence motor output. Conversely, there is enhanced restoration when the AC/A ratio is effectively reduced surgically. PMID:7633627

  6. Fault Accommodation in Control of Flexible Systems

    NASA Technical Reports Server (NTRS)

    Maghami, Peiman G.; Sparks, Dean W., Jr.; Lim, Kyong B.

    1998-01-01

    New synthesis techniques for the design of fault accommodating controllers for flexible systems are developed. Three robust control design strategies, static dissipative, dynamic dissipative and mu-synthesis, are used in the approach. The approach provides techniques for designing controllers that maximize, in some sense, the tolerance of the closed-loop system against faults in actuators and sensors, while guaranteeing performance robustness at a specified performance level, measured in terms of the proximity of the closed-loop poles to the imaginary axis (the degree of stability). For dissipative control designs, nonlinear programming is employed to synthesize the controllers, whereas in mu-synthesis, the traditional D-K iteration is used. To demonstrate the feasibility of the proposed techniques, they are applied to the control design of a structural model of a flexible laboratory test structure.

  7. Adaptive Accommodation Control Method for Complex Assembly

    NASA Astrophysics Data System (ADS)

    Kang, Sungchul; Kim, Munsang; Park, Shinsuk

    Robotic systems have been used to automate assembly tasks in manufacturing and in teleoperation. Conventional robotic systems, however, have been ineffective in controlling contact force in multiple contact states of complex assemblythat involves interactions between complex-shaped parts. Unlike robots, humans excel at complex assembly tasks by utilizing their intrinsic impedance, forces and torque sensation, and tactile contact clues. By examining the human behavior in assembling complex parts, this study proposes a novel geometry-independent control method for robotic assembly using adaptive accommodation (or damping) algorithm. Two important conditions for complex assembly, target approachability and bounded contact force, can be met by the proposed control scheme. It generates target approachable motion that leads the object to move closer to a desired target position, while contact force is kept under a predetermined value. Experimental results from complex assembly tests have confirmed the feasibility and applicability of the proposed method.

  8. Disability and accommodation in the healthcare workplace.

    PubMed

    Niccolini, Robert R; Basu, Nina

    2009-04-01

    Employers in the healthcare industry face unique challenges regarding compliance with the Americans with Disabilities Act (ADA). Healthcare employers must reasonably accommodate employees in complex and often physically challenging positions, while ensuring safe and effective patient care. These challenges have become even more difficult with the recent passage of the ADA Amendments Act of 2008 (ADAAA), which significantly expands the definition and scope of "disability" under the ADA, and legislatively reverses several key Supreme Court decisions favorable to employers. Although the ultimate impact of the ADAAA remains to be determined, this article will help employers and their counsel understand how federal disability discrimination laws may affect their businesses going forward, with an analysis of the language of the ADAAA, case law under the ADA, and guidance from the Equal Employment Opportunity Commission (EEOC). PMID:19485027

  9. FDI and Accommodation Using NN Based Techniques

    NASA Astrophysics Data System (ADS)

    Garcia, Ramon Ferreiro; de Miguel Catoira, Alberto; Sanz, Beatriz Ferreiro

    Massive application of dynamic backpropagation neural networks is used on closed loop control FDI (fault detection and isolation) tasks. The process dynamics is mapped by means of a trained backpropagation NN to be applied on residual generation. Process supervision is then applied to discriminate faults on process sensors, and process plant parameters. A rule based expert system is used to implement the decision making task and the corresponding solution in terms of faults accommodation and/or reconfiguration. Results show an efficient and robust FDI system which could be used as the core of an SCADA or alternatively as a complement supervision tool operating in parallel with the SCADA when applied on a heat exchanger.

  10. Slip and accommodation coefficients from rarefaction and roughness in rotating microscale disk flows

    NASA Astrophysics Data System (ADS)

    Blanchard, Danny; Ligrani, Phil

    2007-06-01

    Accommodation coefficients are determined from experimental results and analysis based on the Navier-Stokes equations for rotation-induced flows in C-shaped fluid chamber passages formed between a rotating disk and a stationary surface. A first-order boundary condition is used to model the slip flow. The fluid chamber passage height ranges from 6.85to29.2μm to give Knudsen numbers from 0.0025 to 0.031 for air and helium. In all cases, roughness size is large compared to molecular mean free path. The unique method presented for deducing tangential momentum accommodation coefficients gives values with less uncertainty compared to procedures that rely on flows in stationary tubes and channels. When channel height is defined at the tops of the roughness elements, slip velocity magnitudes and associated accommodation coefficients are a result of rarefaction at solid-gas interfaces and shear at the gas-gas interfaces. With this arrangement, tangential accommodation coefficients obtained with this approach decrease, and slip velocity magnitudes increase, at a particular value of Knudsen number, as the level of surface roughness increases. At values of the mean roughness height greater than 500nm, accommodation coefficients then appear to be lower in air flows than in helium flows, when compared for a particular roughness configuration. When channel height is defined midway between the crests and troughs of the roughness elements, nondimensional pressure rise data show little or no dependence on the level of disk surface roughness and working fluid. With this arrangement, slip is largely independent of surface roughness magnitude and mostly due to rarefaction, provided the appropriate channel height is chosen to define the roughness height.

  11. Theoretical Investigation of the Reaction Paths of the Aluminum Cluster Cation with Water Molecule in the Gas Phase: A Facile Route for Dihydrogen Release.

    PubMed

    Moc, Jerzy

    2015-08-13

    The gas-phase reaction of the Al6(+) cation with a water molecule is investigated computationally by coupled cluster and density functional theories. Several low-energy paths of the mechanism for dihydrogen production from H2O by the positively charged aluminum cluster are identified. This reaction involves the initial formation of the association complex, exothermic by 25 kcal/mol, followed by the water dissociation and H2 elimination major steps, yielding the Al6O(+) product oxide with either the nonplanar or planar structure. The H2O dissociation on Al6(+) is the rate-determining step. Of the paths probed, the one kinetically most preferred leads from the O-H bond dissociation transition state lying below the separated reactants to the immediate HAl6OH(+) intermediate of the "open" type and involves further the more compact intermediate from which H2 is eliminated. The other reaction paths explored involve the activation enthalpy (at 0 K) for the rate-determining step of less than 2 kcal/mol relative to the Al6(+) + H2O. Natural population analysis based charges indicate that forming of H2 along the elimination coordinate is facilitated by the interaction of the hydridic and protic hydrogens. For the kinetically most favorable route detected, the coupled cluster singles and doubles with perturbative triples (CCSD(T)) relative energies calculated with the unrestricted and restricted HF references are in a good agreement. This investigation is relevant specifically to the recent mass spectrometric study of the reactivity of Aln(+) with water by Arakawa et al., and it provides a mechanistic insight into the formation of the observed AlnO(+) product oxide with n = 6. PMID:26200102

  12. Intercomparison of stratospheric water vapor observed by satellite experiments: Stratospheric Aerosol and Gas Experiment II versus Limb Infrared Monitor of the Stratosphere and Atmospheric Trace Molecule Spectroscopy

    SciTech Connect

    Chiou, E.W.; Larsen, J.C. ); McCormick, M.P.; McMaster, L.R.; Chu, W.P. ); Rind, D. ); Oltmans, S. )

    1993-03-20

    This paper presents a comparison of the stratospheric water vapor measurements made by the satellite-borne sensors the Stratospheric Aerosol and Gas Experiment II (SAGE II), the Nimbus 7 Limb Infrared Monitor of the Stratosphere (LIMS), and the Spacelab 3 Atmospheric Trace Molecule Spectroscopy (ATMOS) experiment. LIMS obtained data for 7 months between November 1978 and May 1979; ATMOS was carried on Shuttle and observed eight profiles from April 30 to May 6, 1985 at approximately 30[degrees]N and 50[degrees]S; and, SAGE II continues to make measurements since its launch in October 1984. For both 30[degrees]N and 50[degrees]S in May, the comparisons between SAGE II and ATMOS show agreement within the estimated combined uncertainty of the two experiments. Several important features identified by LIMS observations have been confirmed by SAGE II: a well-developed hygropause in the lower stratosphere at low- to mid-latitudes, a poleward latitudinal gradient, increasing water vapor mixing ratios with altitude in the tropics, and the transport of dry lower stratospheric water vapor upward and southward in May, and upward and northward in November. A detailed comparative study also indicates that the two previously suggested corrections for LIMS, a correction in tropical lower stratosphere due to a positive temperature bias and the correction above 28 km based on improved emissivities will bring LIMS measurements much closer to those of SAGE II. The only significant difference occurs at high southern latitudes in May below 18 km, where LIMS measurements are 2-3 ppmv greater. It should be noted that LIMS observations are from 16 to 50 km, ATMOS from 14 to 86 km, and SAGE II from mid-troposphere to 40 km. With multiyear coverage, SAGE II observations should be useful for studying tropospheric-stratospheric exchange, for stratospheric transport, and for preparing water vapor climatologies for the stratosphere and the upper troposphere. 32 refs., 14 figs., 2 tabs.

  13. Accommodation of tmRNA-SmpB into stalled ribosomes: a cryo-EM study.

    PubMed

    Weis, Felix; Bron, Patrick; Rolland, Jean-Paul; Thomas, Daniel; Felden, Brice; Gillet, Reynald

    2010-02-01

    In eubacteria, translation of defective messenger RNAs (mRNAs) produces truncated polypeptides that stall on the ribosome. A quality control mechanism referred to as trans-translation is performed by transfer-messenger RNA (tmRNA), a specialized RNA acting as both a tRNA and an mRNA, associated with small protein B (SmpB). So far, a clear view of the structural movements of both the protein and RNA necessary to perform accommodation is still lacking. By using a construct containing the tRNA-like domain as well as the extended helix H2 of tmRNA, we present a cryo-electron microscopy study of the process of accommodation. The structure suggests how tmRNA and SmpB move into the ribosome decoding site after the release of EF-Tu.GDP. While two SmpB molecules are bound per ribosome in a preaccommodated state, our results show that during accommodation the SmpB protein interacting with the small subunit decoding site stays in place while the one interacting with the large subunit moves away. Relative to canonical translation, an additional movement is observed due to the rotation of H2. This suggests that the larger movement required to resume translation on a tmRNA internal open reading frame starts during accommodation. PMID:20038631

  14. Gas transmission through microporous membranes

    NASA Astrophysics Data System (ADS)

    Turel, Tacibaht

    2008-10-01

    An ideal protective clothing material should be a good barrier against harmful gases or vapor while allowing moisture vapor and air passage through the material. In the study and design of barrier materials, one of the critical issues is to balance these requirements, which may sometimes be mutually exclusive. Therefore it is critical to understand the macroscopic and microscopic structure of the attack mechanisms as well as the barrier materials and the transport phenomena in such systems. In this study, air and gas transmission through barrier systems consisting of porous membranes was investigated experimentally and a molecular-level probabilistic model was constructed to evaluate the effect of various parameters on the gas flow. The effect of membrane parameters such as porosity, pore size distribution, thickness as well as gas parameters such as molecule diameters were examined at single layer as well as multiple layers. To understand the gas behavior for harmful chemicals and to ensure safety during experimental studies, mimics of such gases were obtained which were comparable to the actual gases in shape, molecular weight and other chemical properties. Air, ammonia and several mimic gases of harmful chemical agents were studied. Beta-pinene was used as a mimic of sarin and prenol was used as a mimic of nitrogen mustard. Gas transmission experiments were conducted on polyester, nylon and polypropylene membranes each of which had different porosity and pore size distributions. Experiments were done at different pressure values and a comparison was made between permeability testing machines based on volumetric and manometric principles as to their ability to accommodate high permeability membranes. Physical and chemical adsorption of such gases on porous membranes was also investigated after the addition of active elements on the membrane surfaces which can interact with the gas molecules. An experimental setup was developed to measure concentration changes

  15. Solution of the Problem of the Couette Flow for a Fermi Gas with Almost Specular Boundary Conditions

    NASA Astrophysics Data System (ADS)

    Bedrikova, E. A.; Latyshev, A. V.

    2016-06-01

    A solution of the Couette problem for a Fermi gas is constructed. The kinetic Bhatnagar-Gross-Krook (BGK) equation is used. Almost specular boundary conditions are considered. Formulas for the mass flux and the heat flux of the gas are obtained. These fluxes are proportional to the difference of the tangential momentum accommodation coefficients of the molecules. An expression for the viscous drag force acting on the walls of the channel is also found. An analysis of the macroparameters of the gas is performed. The limit to classical gases is taken. The obtained results are found to go over to the known results in this limit.

  16. Accommodation in Astigmatic Children During Visual Task Performance

    PubMed Central

    Harvey, Erin M.; Miller, Joseph M.; Apple, Howard P.; Parashar, Pavan; Twelker, J. Daniel; Crescioni, Mabel; Davis, Amy L.; Leonard-Green, Tina K.; Campus, Irene; Sherrill, Duane L.

    2014-01-01

    Purpose. To determine the accuracy and stability of accommodation in uncorrected children during visual task performance. Methods. Subjects were second- to seventh-grade children from a highly astigmatic population. Measurements of noncycloplegic right eye spherical equivalent (Mnc) were obtained while uncorrected subjects performed three visual tasks at near (40 cm) and distance (2 m). Tasks included reading sentences with stimulus letter size near acuity threshold and an age-appropriate letter size (high task demands) and viewing a video (low task demand). Repeated measures ANOVA assessed the influence of astigmatism, task demand, and accommodative demand on accuracy (mean Mnc) and variability (mean SD of Mnc) of accommodation. Results. For near and distance analyses, respectively, sample size was 321 and 247, mean age was 10.37 (SD 1.77) and 10.30 (SD 1.74) years, mean cycloplegic M was 0.48 (SD 1.10) and 0.79 diopters (D) (SD 1.00), and mean astigmatism was 0.99 (SD 1.15) and 0.75 D (SD 0.96). Poor accommodative accuracy was associated with high astigmatism, low task demand (video viewing), and high accommodative demand. The negative effect of accommodative demand on accuracy increased with increasing astigmatism, with the poorest accommodative accuracy observed in high astigmats (≥3.00 D) with high accommodative demand/high hyperopia (1.53 D and 2.05 D of underaccommodation for near and distant stimuli, respectively). Accommodative variability was greatest in high astigmats and was uniformly high across task condition. No/low and moderate astigmats showed higher variability for the video task than the reading tasks. Conclusions. Accuracy of accommodation is reduced in uncorrected children with high astigmatism and high accommodative demand/high hyperopia, but improves with increased visual task demand (reading). High astigmats showed the greatest variability in accommodation. PMID:25103265

  17. Accommodating Actuator Failures in Flight Control Systems

    NASA Technical Reports Server (NTRS)

    Hess, R. A.; Siwakosit, W.; Chung, J.

    1998-01-01

    A technique for the design of flight control systems that can accommodate a set of actuator failures is presented. As employed herein, an actuator failure is defined as any change in the parametric model of the actuator which can adversely affect actuator performance. The technique is based upon the formulation of a fixed feedback topology which ensures at least stability in the presence of the failures in the set. The fixed compensation is obtained from a loop-shaping design procedure similar to Quantitative Feedback Theory and provides stability robustness in the presence of uncertainty in the vehicle dynamics caused by the failures. System adaptation to improve performance after actuator failure(s) occurs through a static gain adjustment in the compensator followed by modification of the system prefilter. Precise identification of the vehicle dynamics is unnecessary. Application to a single-input, single-output design using a simplified model of the longitudinal dynamics of the NASA High Angle of Attack Research Vehicle is discussed. Non-real time simulations of the system including a model of the pilot demonstrate the effectiveness and limitations of the approach.

  18. Research centrifuge accommodations on Space Station Freedom

    NASA Technical Reports Server (NTRS)

    Arno, Roger D.; Horkachuk, Michael J.

    1990-01-01

    Life sciences research using plants and animals on the Space Station Freedom requires the ability to maintain live subjects in a safe and low stress environment for long durations at microgravity and at one g. The need for a centrifuge to achieve these accelerations is evident. Programmatic, technical, and cost considerations currently favor a 2.5 meter diameter centrifuge located either in the end cone of a Space Station Freedom node or in a separate module. A centrifuge facility could support a mix of rodent, plant, and small primate habitats. An automated cage extractor could be used to remove modular habitats in pairs without stopping the main rotor, minimizing the disruption to experiment protocols. The accommodation of such a centrifuge facility on the Space Station represents a significant demand on the crew time, power, data, volume, and logistics capability. It will contribute to a better understanding of the effects of space flight on humans, an understanding of plant growth in space for the eventual production of food, and an understanding of the role of gravity in biological processes.

  19. Loosely-Bound Diatomic Molecules.

    ERIC Educational Resources Information Center

    Balfour, W. J.

    1979-01-01

    Discusses concept of covalent bonding as related to homonuclear diatomic molecules. Article draws attention to the existence of bound rare gas and alkaline earth diatomic molecules. Summarizes their molecular parameters and offers spectroscopic data. Strength and variation with distance of interatomic attractive forces is given. (Author/SA)

  20. Magnitude and rate of accommodation in diving and nondiving birds.

    PubMed

    Sivak, J G; Hildebrand, T; Lebert, C

    1985-01-01

    Accommodation was measured in a variety of waterfowl by projecting parallel low power helium-neon laser beams through the pupils of excised eyes placed in saline. The posterior globe was removed, allowing the beams, refracted only by the lens, to focus well behind the eye. Electrical stimulation of the ciliary muscle results in accommodative movement of the focal point toward the eye. Study of video recordings show that diving ducks (Mergus cucullatus and Bucephala clangala) can accommodate the 70-80 D needed to focus light on the retina when the eye is in water. Diving and nondiving species are compared in amount and rate of accommodation. PMID:4049742

  1. [Research Progress in Measurement of Human Accommodative Amplitude].

    PubMed

    Long, Erping; Lin, Haotian

    2015-09-01

    Accommodation is an important function of the human eye, which can change the parameters of ocular refractive system and also has a strong correlation with the development of myopia and presbyopia. Several subjective measurements have been applied in accommodation assessment such as push-up test, push-down test and minus-lens procedures. It can be measured objectively by measuring the change in refraction of the eye with dynamic retinoscopy or autorefractor. This article reviews the application of measurement of accommodative amplitude and research progress in accommodation, providing clinical information for further studies. PMID:26930838

  2. Interstellar Molecules

    ERIC Educational Resources Information Center

    Solomon, Philip M.

    1973-01-01

    Radioastronomy reveals that clouds between the stars, once believed to consist of simple atoms, contain molecules as complex as seven atoms and may be the most massive objects in our Galaxy. (Author/DF)

  3. Modeling Molecules

    NASA Technical Reports Server (NTRS)

    2000-01-01

    The molecule modeling method known as Multibody Order (N) Dynamics, or MBO(N)D, was developed by Moldyn, Inc. at Goddard Space Flight Center through funding provided by the SBIR program. The software can model the dynamics of molecules through technology which stimulates low-frequency molecular motions and properties, such as movements among a molecule's constituent parts. With MBO(N)D, a molecule is substructured into a set of interconnected rigid and flexible bodies. These bodies replace the computation burden of mapping individual atoms. Moldyn's technology cuts computation time while increasing accuracy. The MBO(N)D technology is available as Insight II 97.0 from Molecular Simulations, Inc. Currently the technology is used to account for forces on spacecraft parts and to perform molecular analyses for pharmaceutical purposes. It permits the solution of molecular dynamics problems on a moderate workstation, as opposed to on a supercomputer.

  4. Accommodation of pyrimidine dimers during replication of UV-damaged simian virus 40 DNA.

    PubMed Central

    Stacks, P C; White, J H; Dixon, K

    1983-01-01

    UV irradiation of simian virus 40-infected cells at fluences between 20 and 60 J/m2, which yield one to three pyrimidine dimers per simian virus 40 genome, leads to a fluence-dependent progressive decrease in simian virus 40 DNA replication as assayed by incorporation of [3H]deoxyribosylthymine into viral DNA. We used a variety of biochemical and biophysical techniques to show that this decrease is due to a block in the progression of replicative-intermediate molecules to completed form I molecules, with a concomitant decrease in the entry of molecules into the replicating pool. Despite this UV-induced inhibition of replication, some pyrimidine dimer-containing molecules become fully replicated after UV irradiation. The fraction of completed molecules containing dimers goes up with time such that by 3 h after a UV fluence of 40 J/m2, more than 50% of completed molecules contain pyrimidine dimers. We postulate that the cellular replication machinery can accommodate limited amounts of UV-induced damage and that the progressive decrease in simian virus 40 DNA synthesis after UV irradiation is due to the accumulation in the replication pool of blocked molecules containing levels of damage greater than that which can be tolerated. PMID:6621531

  5. Enumerating molecules.

    SciTech Connect

    Visco, Donald Patrick, Jr.; Faulon, Jean-Loup Michel; Roe, Diana C.

    2004-04-01

    This report is a comprehensive review of the field of molecular enumeration from early isomer counting theories to evolutionary algorithms that design molecules in silico. The core of the review is a detail account on how molecules are counted, enumerated, and sampled. The practical applications of molecular enumeration are also reviewed for chemical information, structure elucidation, molecular design, and combinatorial library design purposes. This review is to appear as a chapter in Reviews in Computational Chemistry volume 21 edited by Kenny B. Lipkowitz.

  6. Big brake singularity is accommodated as an exotic quintessence field

    NASA Astrophysics Data System (ADS)

    Chimento, Luis P.; Richarte, Martín G.

    2016-02-01

    We describe a big brake singularity in terms of a modified Chaplygin gas equation of state p =(γm-1 )ρ +α γmρ-n, accommodate this late-time event as an exotic quintessence model obtained from an energy-momentum tensor, and focus on the cosmological behavior of the exotic field, its kinetic energy, and the potential energy. At the background level the exotic field does not blow up, whereas its kinetic energy and potential both grow without limit near the future singularity. We evaluate the classical stability of this background solution by examining the scalar perturbations of the metric along with the inclusion of entropy perturbation in the perturbed pressure. Within the Newtonian gauge, the gravitational field approaches a constant near the singularity plus additional regular terms. When the perturbed exotic field is associated with α >0 the perturbed pressure and contrast density both diverge, whereas the perturbed exotic field and the divergence of the exotic field's velocity go to zero exponentially. When the perturbed exotic field is associated with α <0 the contrast density always blows up, but the perturbed pressure can remain bounded. In addition, the perturbed exotic field and the divergence of the exotic field's velocity vanish near the big brake singularity. We also briefly look at the behavior of the intrinsic entropy perturbation near the singular event.

  7. Family Accommodation in Pediatric Obsessive-Compulsive Disorder

    ERIC Educational Resources Information Center

    Storch, Eric A.; Geffken, Gary R.; Merlo, Lisa J.; Jacob, Marni L.; Murphy, Tanya K.; Goodman, Wayne K.; Larson, Michael J.; Fernandez, Melanie; Grabill, Kristen

    2007-01-01

    Despite the importance of the family in the treatment of pediatric obsessive-compulsive disorder (OCD), relatively little empirical attention has been directed to family accommodation of symptoms. This study examined the relations among family accommodation, OCD symptom severity, functional impairment, and internalizing and externalizing behavior…

  8. Effects of Learning Style Accommodation on Achievement of Second Graders.

    ERIC Educational Resources Information Center

    Knight, Carol Bugg

    The purpose of this study was to devise an instructional model accommodating students' learning styles in the following areas: sound, light, temperature, design, and mobility. Specifically, this study determined if students in an experimental group with environmental accommodations to their preferred modes of learning differed from students in a…

  9. Effects of Learning Style Accommodation on Achievement of Second Graders.

    ERIC Educational Resources Information Center

    Knight, Carol Bugg; Halpin, Gerald; Halpin, Glennelle

    1996-01-01

    Whether grades earned in reading, mathematics, and language by 158 second graders when learning environmental accommodations were made in the areas of light, sound, temperature, design, and mobility differed from grades of control group students without these accommodations was studied. Control group students had higher mathematics and language…

  10. High velocity atomic oxygen/surface accommodation studies

    NASA Technical Reports Server (NTRS)

    Krech, R. H.; Gauthier, M. J.; Caledonia, G. E.

    1991-01-01

    This paper provides the first experimental evaluation of the energy-accommodation coefficients of 8km/s oxygen atoms on selected materials. Preliminary measurements have been provided for three materials at normal incidence. Neglecting chemical energy, the accommodation coefficients for Ni, Au, and reaction-cured glass are approximately 0.6 +/- 50 percent.

  11. Examining Student Factors in Sources of Setting Accommodation DIF

    ERIC Educational Resources Information Center

    Lin, Pei-Ying; Lin, Yu-Cheng

    2014-01-01

    This exploratory study investigated potential sources of setting accommodation resulting in differential item functioning (DIF) on math and reading assessments for examinees with varied learning characteristics. The examinees were those who participated in large-scale assessments and were tested in either standardized or accommodated testing…

  12. 13 CFR 112.6 - Discrimination in accommodations or services.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 13 Business Credit and Assistance 1 2010-01-01 2010-01-01 false Discrimination in accommodations or services. 112.6 Section 112.6 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION NONDISCRIMINATION IN FEDERALLY ASSISTED PROGRAMS OF SBA-EFFECTUATION OF TITLE VI OF THE CIVIL RIGHTS ACT OF 1964 § 112.6 Discrimination in accommodations...

  13. 13 CFR 112.6 - Discrimination in accommodations or services.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 13 Business Credit and Assistance 1 2011-01-01 2011-01-01 false Discrimination in accommodations or services. 112.6 Section 112.6 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION NONDISCRIMINATION IN FEDERALLY ASSISTED PROGRAMS OF SBA-EFFECTUATION OF TITLE VI OF THE CIVIL RIGHTS ACT OF 1964 § 112.6 Discrimination in accommodations...

  14. 46 CFR 127.270 - Location of accommodations and pilothouse.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 4 2012-10-01 2012-10-01 false Location of accommodations and pilothouse. 127.270 Section 127.270 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OFFSHORE SUPPLY VESSELS CONSTRUCTION AND ARRANGEMENTS Particular Construction and Arrangements § 127.270 Location of accommodations and pilothouse. (a) Neither quarters...

  15. 46 CFR 127.270 - Location of accommodations and pilothouse.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 4 2010-10-01 2010-10-01 false Location of accommodations and pilothouse. 127.270 Section 127.270 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OFFSHORE SUPPLY VESSELS CONSTRUCTION AND ARRANGEMENTS Particular Construction and Arrangements § 127.270 Location of accommodations and pilothouse. (a) Neither quarters...

  16. 46 CFR 127.270 - Location of accommodations and pilothouse.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 4 2013-10-01 2013-10-01 false Location of accommodations and pilothouse. 127.270 Section 127.270 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OFFSHORE SUPPLY VESSELS CONSTRUCTION AND ARRANGEMENTS Particular Construction and Arrangements § 127.270 Location of accommodations and pilothouse. (a) Neither quarters...

  17. 46 CFR 127.270 - Location of accommodations and pilothouse.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 4 2014-10-01 2014-10-01 false Location of accommodations and pilothouse. 127.270 Section 127.270 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OFFSHORE SUPPLY VESSELS CONSTRUCTION AND ARRANGEMENTS Particular Construction and Arrangements § 127.270 Location of accommodations and pilothouse. (a) Neither quarters...

  18. 46 CFR 127.270 - Location of accommodations and pilothouse.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 4 2011-10-01 2011-10-01 false Location of accommodations and pilothouse. 127.270 Section 127.270 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OFFSHORE SUPPLY VESSELS CONSTRUCTION AND ARRANGEMENTS Particular Construction and Arrangements § 127.270 Location of accommodations and pilothouse. (a) Neither quarters...

  19. Project Accommodate: Preparing Master Teachers to Provide Peer Inservice.

    ERIC Educational Resources Information Center

    Vasa, Stanley F.; And Others

    Project Accommodate, a program designed to improve inservice to regular Nebraska secondary teachers serving handicapped students, is described. The state's needs for inservice training to implement the goal of providing services in the least restrictive environment are discussed as background to Project Accommodate's development. Goals of the…

  20. Testing Accommodations: Theory and Research to Inform Practice

    ERIC Educational Resources Information Center

    Kettler, Ryan J.

    2012-01-01

    This article presents a framework for practitioners in education and psychology to select accommodations based on student profiles and testing demands. A brief history of testing accommodations policy in the US and a definition of terms provide context for the discussion. A review of theory and empirical findings related to testing accommodations…

  1. 46 CFR 190.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 7 2010-10-01 2010-10-01 false Sleeping accommodations. 190.20-20 Section 190.20-20 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS CONSTRUCTION AND ARRANGEMENT Accomodations for Officers, Crew, and Scientific Personnel § 190.20-20 Sleeping accommodations. (a) Where practicable,...

  2. An Accommodations Model for the Secondary Inclusive Classroom

    ERIC Educational Resources Information Center

    Scanlon, David; Baker, Diana

    2012-01-01

    Despite expectations for accommodations in inclusive classrooms, little guidance for effective practice is available. Most accommodations policies and evidence-based practices address assessments. High school regular and special educators collaborated in focus groups to articulate a model based on their practices and perceptions of best practice.…

  3. 46 CFR 190.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 7 2012-10-01 2012-10-01 false Sleeping accommodations. 190.20-20 Section 190.20-20... CONSTRUCTION AND ARRANGEMENT Accomodations for Officers, Crew, and Scientific Personnel § 190.20-20 Sleeping...) Sleeping accommodations for the crew must be divided into rooms, no one of which must berth more than...

  4. 46 CFR 190.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 7 2013-10-01 2013-10-01 false Sleeping accommodations. 190.20-20 Section 190.20-20... CONSTRUCTION AND ARRANGEMENT Accomodations for Officers, Crew, and Scientific Personnel § 190.20-20 Sleeping...) Sleeping accommodations for the crew must be divided into rooms, no one of which must berth more than...

  5. 46 CFR 190.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 7 2011-10-01 2011-10-01 false Sleeping accommodations. 190.20-20 Section 190.20-20... CONSTRUCTION AND ARRANGEMENT Accomodations for Officers, Crew, and Scientific Personnel § 190.20-20 Sleeping...) Sleeping accommodations for the crew must be divided into rooms, no one of which must berth more than...

  6. 46 CFR 190.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 7 2014-10-01 2014-10-01 false Sleeping accommodations. 190.20-20 Section 190.20-20... CONSTRUCTION AND ARRANGEMENT Accomodations for Officers, Crew, and Scientific Personnel § 190.20-20 Sleeping...) Sleeping accommodations for the crew must be divided into rooms, no one of which must berth more than...

  7. 46 CFR 154.325 - Accommodation, service, and control spaces.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... Equipment Ship Arrangements § 154.325 Accommodation, service, and control spaces. (a) Accommodation, service, and control spaces must be outside the cargo area. (b) If a hold space having a cargo containment..., or control space by a cruciform joint, there must be a cofferdam providing at least 760 mm (30...

  8. Transition to Postsecondary: New Documentation Guidance for Access to Accommodations

    ERIC Educational Resources Information Center

    Klotz, Mary Beth

    2012-01-01

    The Association on Higher Education and Disability (AHEAD) recently developed a conceptual framework that substantially revises its guidance for disability documentation for accommodations in higher education settings. This new document, "Supporting Accommodation Requests: Guidance on Documentation Practices," was written in response to the…

  9. Regional Sign Language Varieties in Contact: Investigating Patterns of Accommodation

    ERIC Educational Resources Information Center

    Stamp, Rose; Schembri, Adam; Evans, Bronwen G.; Cormier, Kearsy

    2016-01-01

    Short-term linguistic accommodation has been observed in a number of spoken language studies. The first of its kind in sign language research, this study aims to investigate the effects of regional varieties in contact and lexical accommodation in British Sign Language (BSL). Twenty-five participants were recruited from Belfast, Glasgow,…

  10. 24 CFR 966.7 - Accommodation of persons with disabilities.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 24 Housing and Urban Development 4 2011-04-01 2011-04-01 false Accommodation of persons with disabilities. 966.7 Section 966.7 Housing and Urban Development REGULATIONS RELATING TO HOUSING AND URBAN... Requirements § 966.7 Accommodation of persons with disabilities. (a) For all aspects of the lease and...

  11. 24 CFR 966.7 - Accommodation of persons with disabilities.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 24 Housing and Urban Development 4 2013-04-01 2013-04-01 false Accommodation of persons with disabilities. 966.7 Section 966.7 Housing and Urban Development REGULATIONS RELATING TO HOUSING AND URBAN... Requirements § 966.7 Accommodation of persons with disabilities. (a) For all aspects of the lease and...

  12. 24 CFR 966.7 - Accommodation of persons with disabilities.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 24 Housing and Urban Development 4 2012-04-01 2012-04-01 false Accommodation of persons with disabilities. 966.7 Section 966.7 Housing and Urban Development REGULATIONS RELATING TO HOUSING AND URBAN... Requirements § 966.7 Accommodation of persons with disabilities. (a) For all aspects of the lease and...

  13. 24 CFR 966.7 - Accommodation of persons with disabilities.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 24 Housing and Urban Development 4 2014-04-01 2014-04-01 false Accommodation of persons with disabilities. 966.7 Section 966.7 Housing and Urban Development REGULATIONS RELATING TO HOUSING AND URBAN... Requirements § 966.7 Accommodation of persons with disabilities. (a) For all aspects of the lease and...

  14. 46 CFR 127.260 - Ventilation for accommodations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... vessel of 100 or more gross tons must be provided with a mechanical ventilation system unless the... 46 Shipping 4 2010-10-01 2010-10-01 false Ventilation for accommodations. 127.260 Section 127.260... ARRANGEMENTS Particular Construction and Arrangements § 127.260 Ventilation for accommodations. (a)...

  15. 24 CFR 966.7 - Accommodation of persons with disabilities.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 24 Housing and Urban Development 4 2010-04-01 2010-04-01 false Accommodation of persons with disabilities. 966.7 Section 966.7 Housing and Urban Development Regulations Relating to Housing and Urban... Requirements § 966.7 Accommodation of persons with disabilities. (a) For all aspects of the lease and...

  16. Religious Observance Accommodation in Ontario Universities. Discussion Paper.

    ERIC Educational Resources Information Center

    Reed, Carole Ann

    This paper highlights the religious accommodations that Ontario (Canada) universities have undertaken to create an inclusive, supportive learning community for all students, faculty, and staff. It outlines the demographic changes and public policy surrounding religious accommodation issues in Canada and in Ontario in particular, focusing on the…

  17. The Reasonable Accommodations Provisions of the Americans with Disabilities Act.

    ERIC Educational Resources Information Center

    Miles, Albert; And Others

    1991-01-01

    The Americans with Disabilities Act (ADA) provides broad-based protection for disabled persons by imposing far-reaching obligations on private-sector employers, public services and accommodations, transportation, and telecommunications. Provides a descriptive overview of the reasonable accommodations provisions of Title I and II of the ADA. (34…

  18. Cultural value orientations, internalized homophobia, and accommodation in romantic relationships.

    PubMed

    Gaines, Stanley O; Henderson, Michael C; Kim, Mary; Gilstrap, Samuel; Yi, Jennifer; Rusbult, Caryl E; Hardin, Deletha P; Gaertner, Lowell

    2005-01-01

    In the present study, we examined the impact of cultural value orientations (i.e., the personally oriented value of individualism, and the socially oriented values of collectivism, familism, romanticism, and spiritualism) on accommodation (i.e., voice and loyalty, rather than exit and neglect, responses to partners' anger or criticism) in heterosexual and gay relationships; and we examined the impact of internalized homophobia (i.e., attitudes toward self, other, and disclosure) on accommodation specifically in gay relationships. A total of 262 heterosexuals (102 men and 162 women) and 857 gays (474 men and 383 women) participated in the present study. Consistent with hypotheses, among heterosexuals and gays, socially oriented values were significantly and positively related to accommodation (whereas the personally oriented value of individualism was unrelated to accommodation); and among gays in particular, internalized homophobia was significantly and negatively related to accommodation. Implications for the study of heterosexual and gay relationships are discussed. PMID:16368666

  19. Restoration of accommodation: surgical options for correction of presbyopia

    PubMed Central

    Glasser, Adrian

    2010-01-01

    Accommodation is a dioptric change in the power of the eye to see clearly at near. Ciliary muscle contraction causes a release in zonular tension at the lens equator, which permits the elastic capsule to mould the young lens into an accommodated form. Presbyopia, the gradual age-related loss of accommodation, occurs primarily through a gradual age-related stiffening of the lens. While there are many possible options for relieving the symptoms of presbyopia, only relatively recently has consideration been given to surgical restoration of accommodation to the presbyopic eye. To understand how this might be achieved, it is necessary to understand the accommodative anatomy, the mechanism of accommodation and the causes of presbyopia. A variety of different kinds of surgical procedures has been considered for restoring accommodation to the presbyopic eye, including surgical expansion of the sclera, using femtosecond lasers to treat the lens or with so-called accommodative intraocular lenses (IOLs). Evidence suggests that scleral expansion cannot and does not restore accommodation. Laser treatments of the lens are in their early infancy. Development and testing of accommodative IOLs are proliferating. They are designed to produce a myopic refractive change in the eye in response to ciliary muscle contraction either through a movement of an optic or through a change in surface curvature. Three general design principles are being considered. These are single optic IOLs that rely on a forward shift of the optic, dual optic IOLs that rely on an increased separation between the two optics, or IOLs that permit a change in surface curvature to produce an increase in optical power in response to ciliary muscle contraction. Several of these different IOLs are available and being used clinically, while many are still in research and development. PMID:18399800

  20. Molecules on ice

    SciTech Connect

    Clary, D.C.

    1996-03-15

    The ozone hole that forms in the spring months over the Antarctic is thought to be produced through a network of chemical reactions catalyzed by the surfaces of ice crystals in polar stratospheric clouds (PSCs). A reaction between chlorine reservoir molecules, such as HCl + ClONO{sub 2} > HNO{sub 3} + Cl{sub 2}, is kinetically forbidden in the gas phase but proceeds quickly on the surface of ice and produces Cl{sub 2} molecules that are photodissociated by sunlight to yield the Cl atoms that destroy ozone. This destructive chain of events begins when HCl molecules stick to the ice crystals, and the mechanism for this crucial sticking process has been the subject of much debate. Recent work describes a mechanism that explains how HCl sticks to ice. This article goes on to detail research focusing surface reactions in stratospheric chemistry. 9 refs., 1 fig.

  1. Varifocal optics for a novel accommodative intraocular lens

    NASA Astrophysics Data System (ADS)

    Simonov, A. N.; Rombach, M.; Vdovin, G.; Loktev, M.

    2006-01-01

    The development of adaptive optics for the human eye to correct aberrations, to restore accommodation after lens extraction due to cataract and to correct age-related presbyopia have interest of academia and industry. We report on optics for a new accommodative intraocular lens which uses a two-element varifocal Alvarez lens. This lens has two refractive elements with cubic surfaces which, in combination, form a varifocal lens when the elements are shifted relatively to each other perpendicular to the optical path. The accommodative function of the lens will be driven by the ocular ciliary muscle. The refractive elements of the dual-optic intraocular lens are designed to provide a near emmetropic on-axis vision with a >4 dioptre accommodation range. The anterior element has a spherical lens to correct for the overall refraction of the eye, aspheric terms to correct the corneal asphericity and a cubic term as accommodative component; the posterior element has a cubic shaped surface only. The modular transfer function shows that the image on the retina reaches a diffraction limited performance for the on-axis vision in combination with the aspheric correction for aberrations of the cornea. We conclude that the varifocal lens is uniquely suitable for application as an intraocular accommodative lens because of its optical quality and ample accommodative power.

  2. Optical Coherence Tomography Reveals New Insights into the Accommodation Mechanism

    PubMed Central

    Farouk, Mahmoud Mohamed; Naito, Takeshi; Shinomiya, Kayo; Eguchi, Hiroshi; Sayed, Khulood Mohammed; Nagasawa, Toshihiko; Katome, Takashi; Mitamura, Yoshinori

    2015-01-01

    Purpose. To evaluate the movement of the anterior and posterior lens poles during naturally stimulated accommodation in children using anterior segment optical coherence tomography (OCT). Methods. This is a prospective, observational, noncomparative case series including 18 eyes of nine children. Analysis of the anterior segment in the accommodated and unaccommodated state (with cycloplegia) was done using anterior segment OCT. The main outcome measures were the position of the anterior and posterior lens poles (in relation to the cornea) and lens thickness (LT). Results. A Statistically significant forward movement of the anterior lens pole and backward movement of the posterior lens pole with an increase in LT were found during accommodation (P < 0.001). There was no significant difference between the degree of movement of the anterior lens pole and the posterior lens pole during accommodation (P = 0.944). Conclusions. Anterior segment OCT provides a rapid noncontact method for studying accommodation in children. The backward movement of the posterior lens pole during accommodation nearly equals the forward movement of its anterior pole. These data minimize the theoretical hydraulic effect of the vitreous during accommodation, adding more support to the capsular theory of Helmholtz. PMID:26236498

  3. Microgravity Flight - Accommodating Non-Human Primates

    NASA Technical Reports Server (NTRS)

    Dalton, Bonnie P.; Searby, Nancy; Ostrach, Louis

    1994-01-01

    thermoregulation, muscular, and cardiac responses to weightlessness. In contrast, the five completed Cosmos/Bion flights, lacked the metabolic samples and behavioral task monitoring, but did facilitate studies of the neurovestibular system during several of the flights. The RRF accommodated two adult 8-11 kg rhesus monkeys, while the Russian experiments and hardware were configured for a younger animal in the 44 kg range. Both the American and Russian hardware maintained a controlled environmental system, specifically temperature, humidity, a timed lighting cycle, and had means for providing food and fluids to the animal(s). Crew availability during a Shuttle mission was to be an optimal condition for retrieval and refrigeration of the animal urine samples along with a manual calcein injection which could lead to greater understanding of bone calcium incorporation. A special portable bioisolation glove box was under development to support this aspect of the experiment profile along with the capability of any contingency human intervention. As a result of recent U.S./Russian negotiations, funding for Space Station, and a series of other events, the SLS-3 mission was cancelled and applicable Rhesus Project experiments incorporated into the Russian Bion 11 and 12 missions. A presentation of the RRF and COSMOS/Bion rhesus hardware is presented along with current plans for the hardware.

  4. Microgravity Flight: Accommodating Non-Human Primates

    NASA Technical Reports Server (NTRS)

    Dalton, Bonnie P.; Searby, Nancy; Ostrach, Louis

    1995-01-01

    thermoregulation, muscular, and cardiac responses to weightlessness. In contrast, the five completed Cosmos/Bion flights, lacked the metabolic samples and behavioral task monitoring, but did facilitate studies of the neurovestibular system during several of the flights. The RRF accommodated two adult 8-11 kg rhesus monkeys, while the Russian experiments and hardware were configured for a younger animal in the 44 kg range. Both the American and Russian hardware maintained a controlled environmental system, specifically temperature, humidity, a timed lighting cycle, and had means for providing food and fluids to the animal(s). Crew availability during a Shuttle mission was to be an optimal condition for retrieval and refrigeration of the animal urine samples along with a manual calcein injection which could lead to greater understanding of bone calcium incorporation. A special portable bioisolation glove box was under development to support this aspect of the experiment profile along with the capability of any contingency human intervention. As a result of recent U.S./Russian negotiations, funding for Space Station, and a series of other events, the SLS-3 mission was cancelled and applicable Rhesus Project experiments incorporated into the Russian Bion 11 and 12 missions. A presentation of the RRF and COSMOS/Bion rhesus hardware is presented along with current plans for the hardware.

  5. The Role of the Iris in Chick Accommodation

    PubMed Central

    Liu, Yue; Choh, Vivian; Wildsoet, Christine F.

    2011-01-01

    Purpose. Peripheral defocus, higher-order aberrations, and accommodation interact with pupil size to influence retinal image quality and possibly eye growth. Iridectomy (ID) provides a fixed, enlarged pupil. Results from in vitro studies suggest that ID may reduce or eliminate accommodation in the chicken. This paper further investigates the effects of ID on chicken accommodation, eye growth, and refractive development. Methods. Refraction, biometry, and corneal curvature were measured, before, and after topical instillation of nicotine in 43 White-Leghorn chickens that had undergone monocular ID. Intraocular pressure (IOP) was measured, and eyes were imaged with anterior segment optical coherence tomography (OCT) during accommodation. In vitro preparations were used to examine accommodation responses in a lens-scanning instrument. Results. Iridectomy induced small but significant decreases in anterior and vitreous chamber depths and an increase in lens thickness (LT). IOP was similar in iridectomized and control eyes from 1 week on. In vivo, nicotine induced similar accommodative changes in iridectomized and control eyes. OCT images revealed a forward displacement of the iris during accommodation in control eyes. Iridectomized and control eyes showed similar increases in LT. In vitro, iridectomized eyes showed minimal nicotine-induced accommodation. Conclusions. Refraction and eye growth were minimally affected by ID in chickens, implying that emmetropization was unaffected and supporting the use of ID as a tool in emmetropization and myopia studies. The greatly attenuated accommodative responses in vitro for iridectomized eyes suggest a role of biomechanical factors in the chick. IOP was unaffected by the surgery, implying that the iris musculature is not essential for maintaining aqueous outflow pathways. PMID:21357397

  6. Objective measurement of accommodative biometric changes using ultrasound biomicroscopy

    PubMed Central

    Ramasubramanian, Viswanathan; Glasser, Adrian

    2015-01-01

    PURPOSE To demonstrate that ultrasound biomicroscopy (UBM) can be used for objective quantitative measurements of anterior segment accommodative changes. SETTING College of Optometry, University of Houston, Houston, Texas, USA. DESIGN Prospective cross-sectional study. METHODS Anterior segment biometric changes in response to 0 to 6.0 diopters (D) of accommodative stimuli in 1.0 D steps were measured in eyes of human subjects aged 21 to 36 years. Imaging was performed in the left eye using a 35 MHz UBM (Vumax) and an A-scan ultrasound (A-5500) while the right eye viewed the accommodative stimuli. An automated Matlab image-analysis program was developed to measure the biometry parameters from the UBM images. RESULTS The UBM-measured accommodative changes in anterior chamber depth (ACD), lens thickness, anterior lens radius of curvature, posterior lens radius of curvature, and anterior segment length were statistically significantly (P < .0001) linearly correlated with accommodative stimulus amplitudes. Standard deviations of the UBM-measured parameters were independent of the accommodative stimulus demands (ACD 0.0176 mm, lens thickness 0.0294 mm, anterior lens radius of curvature 0.3350 mm, posterior lens radius of curvature 0.1580 mm, and anterior segment length 0.0340 mm). The mean difference between the A-scan and UBM measurements was −0.070 mm for ACD and 0.166 mm for lens thickness. CONCLUSIONS Accommodating phakic eyes imaged using UBM allowed visualization of the accommodative response, and automated image analysis of the UBM images allowed reliable, objective, quantitative measurements of the accommodative intraocular biometric changes. PMID:25804579

  7. Circadian rhythms of visual accommodation responses and physiological correlations.

    NASA Technical Reports Server (NTRS)

    Murphy, M. R.; Randle, R. J.; Williams, B. A.

    1972-01-01

    Use of a recently developed servocontrolled infrared optometer to continuously record the state of monocular focus while subjects viewed a visual target for which the stimulus to focus was systematically varied. Calculated parameters form recorded data - e.g., speeds of accommodation to approaching and receding targets, magnitude of accommodation to step changes in target distance, and amplitude and phase lag of response to sinusoidally varying stimuli were submitted to periodicity analyses. Ear canal temperature (ECT) and heart rate (HR) rhythms were also recorded for physiological correlation with accommodation rhythms. HR demonstrated a 24-hr rhythm, but ECT data did not.

  8. Natural gas hydrates on the North Slope of Alaska

    SciTech Connect

    Collett, T.S.

    1991-01-01

    Gas hydrates are crystalline substances composed of water and gas, mainly methane, in which a solid-water lattice accommodates gas molecules in a cage-like structure, or clathrate. These substances often have been regarded as a potential (unconventional) source of natural gas. Significant quantities of naturally occurring gas hydrates have been detected in many regions of the Arctic including Siberia, the Mackenzie River Delta, and the North Slope of Alaska. On the North Slope, the methane-hydrate stability zone is areally extensive beneath most of the coastal plain province and has thicknesses as great as 1000 meters in the Prudhoe Bay area. Gas hydrates have been identified in 50 exploratory and production wells using well-log responses calibrated to the response of an interval in one well where gas hydrates were recovered in a core by ARCO Alaska and EXXON. Most of these gas hydrates occur in six laterally continuous Upper Cretaceous and lower Tertiary sandstone and conglomerate units; all these gas hydrates are geographically restricted to the area overlying the eastern part of the Kuparuk River Oil Field and the western part of the Prudhoe Bay Oil Field. The volume of gas within these gas hydrates is estimated to be about 1.0 {times} 10{sup 12} to 1.2 {times} 10{sup 12} cubic meters (37 to 44 trillion cubic feet), or about twice the volume of conventional gas in the Prudhoe Bay Field. Geochemical analyses of well samples suggest that the identified hydrates probably contain a mixture of deep-source thermogenic gas and shallow microbial gas that was either directly converted to gas hydrate or first concentrated in existing traps and later converted to gas hydrate. The thermogenic gas probably migrated from deeper reservoirs along the same faults thought to be migration pathways for the large volumes of shallow, heavy oil that occur in this area. 51 refs., 11 figs., 3 tabs.

  9. Accommodation and size-constancy of virtual objects.

    PubMed

    Kenyon, Robert V; Phenany, Moses; Sandin, Daniel; Defanti, Thomas

    2008-02-01

    Accommodation has been suspected as a contributor to size illusions in virtual environments (VE) due to the lack of appropriate accommodative stimuli in a VE for the objects displayed. Previous experiments examining size-constancy in VE have shown that monocular cues to depth that accompany the object are a major contributor to correct size perception. When these accompanying cues are removed perceived size varied with the object's distance from the subject, i.e., visual angle. If accommodation were the dominant mechanism contributing to a visual angle response [due to its action to keep physical objects clear] in this condition, an open-loop accommodation viewing condition might restore size-constancy to this condition. Pinhole apertures were used to open-loop accommodation and examine if size-constancy might be restored when few accompanying monocular cues to depth were present. Visual angle performance when viewing a low cue environment was found with and without the use of the pinhole apertures. Thus, these results signify that accommodation does not play a dominate role in the loss of size-constancy in sparse visual environments often used in VE. These results suggest that size-constancy is driven by the inclusion of the remaining monocular cues to depth in VE as it is in the physical world. PMID:18066664

  10. Surface chemistry of deuterated molecules

    NASA Astrophysics Data System (ADS)

    Tielens, A. G. G. M.

    1983-03-01

    The chemical composition of grain mantles is calculated in order to determine the concentration of deuterated molecules relative to their hydrogenated counterparts in grain mantles. The computation takes into account reactions involving deuterium in the gas phase and on grain surfaces. The results show that the abundance of deuterium molecules in grain mantles is much higher than expected on the basis of the cosmic abundance ratio of D to H. HDCO has a relatively high abundance in grain mantles as compared to other deuterated molecules, due to the fact that H abstraction from HDCO has a lower activation barrier than D abstraction. The infrared characteristics of the calculated grain mantles are discussed and observational tests of the model calcultions are suggested. The contribution of grain surface chemistry to the concentration of molecules in the gas phase is briefly considered.

  11. Molecules in interstellar clouds

    NASA Astrophysics Data System (ADS)

    Irvine, W. M.; Hjalmarson, A.; Rydbeck, O. E. H.

    The physical conditions and chemical compositions of the gas in interstellar clouds are reviewed in light of the importance of interstellar clouds for star formation and the origin of life. The Orion A region is discussed as an example of a giant molecular cloud where massive stars are being formed, and it is pointed out that conditions in the core of the cloud, with a kinetic temperature of about 75 K and a density of 100,000-1,000,000 molecules/cu cm, may support gas phase ion-molecule chemistry. The Taurus Molecular Clouds are then considered as examples of cold, dark, relatively dense interstellar clouds which may be the birthplaces of solar-type stars and which have been found to contain the heaviest interstellar molecules yet discovered. The molecular species identified in each of these regions are tabulated, including such building blocks of biological monomers as H2O, NH3, H2CO, CO, H2S, CH3CN and H2, and more complex species such as HCOOCH3 and CH3CH2CN.

  12. Collisional decoherence of polar molecules

    NASA Astrophysics Data System (ADS)

    Walter, Kai; Stickler, Benjamin A.; Hornberger, Klaus

    2016-06-01

    The quantum state of motion of a large and rotating polar molecule can lose coherence through the collisions with gas atoms. We show how the associated quantum master equation for the center of mass can be expressed in terms of the orientationally averaged differential and total scattering cross sections, for which we provide approximate analytic expressions. The master equation is then utilized to quantify collisional decoherence in a interference experiment with polar molecules.

  13. A density functional tight binding/force field approach to the interaction of molecules with rare gas clusters: Application to (C{sub 6}H{sub 6}){sup +/0}Ar{sub n} clusters

    SciTech Connect

    Iftner, Christophe; Simon, Aude; Korchagina, Kseniia; Rapacioli, Mathias; Spiegelman, Fernand

    2014-01-21

    We propose in the present paper a SCC-DFTB/FF (Self-Consistent-Charge Density Functional based Tight Binding/Force-Field) scheme adapted to the investigation of molecules trapped in rare gas environments. With respect to usual FF descriptions, the model involves the interaction of quantum electrons in a molecule with rare gas atoms in an anisotropic scheme. It includes polarization and dispersion contributions and can be used for both neutral and charged species. Parameters for this model are determined for hydrocarbon-argon complexes and the model is validated for small hydrocarbons. With the future aim of studying polycyclic aromatic hydrocarbons in Ar matrices, extensive benchmark calculations are performed on (C{sub 6}H{sub 6}){sup +/0}Ar{sub n} clusters against DFT and CCSD(T) calculations for the smaller sizes, and more generally against other experimental and theoretical data. Results on the structures and energetics (isomer ordering and energy separation, cohesion energy per Ar atom) are presented in detail for n = 1–8, 13, 20, 27, and 30, for both neutrals and cations. We confirm that the clustering of Ar atoms leads to a monotonous decrease of the ionization potential of benzene for n ⩽ 20, in line with previous experimental and FF data.

  14. Heterogeneous accommodation and reaction kinetics in the laboratory and the atmosphere

    SciTech Connect

    Wornsop, D.R.; Jayne, J.T.; Kolb, C.E.

    1996-10-01

    Heterogeneous interactions of gases with cloud droplets and aerosol particles are now recognized to play a critical role in many atmospheric processes. We describe results of experiments that measure the uptake of trace gases into liquid water and sulfuric acid solutions on time scales ranging from 10{sup -3} to 10 seconds, with rates corresponding to uptake (or {open_quote}sticking{close_quote}) coefficients between 10{sup -7} and 1. Time dependent uptake rates resolve the relative contributions of mass accommodation probability, gas and liquid diffusion, gas solubility, and aqueous reactivity to overall gas/liquid mass transport rates. Uptake of NH{sub 3} exemplifies the range of observed behavior. In basic solution, (pH>10) uptake is limited by physical solubility (Henry`s law constant, H{approximately}100 M/atm), with enhanced uptake observed at t<10{sup -2} sec indicative of a surface complex. At lower pH, uptake increases as NH{sub 3} reacts with H+ in solution. At low pH<2, uptake reflects the mass accommodation coefficient ({approximately}0.08 at 283K) which exhibits a negative temperature dependence consistent with a cluster nucleation model. In concentrated sulfuric acid solution the NH{sub 3} uptake coefficient increases to near unity, independent of temperature, indicative of enhanced surface reactivity.

  15. Accommodation in young adults wearing aspheric multifocal soft contact lenses

    NASA Astrophysics Data System (ADS)

    Lindskoog Pettersson, Anna; Wahlberg Ramsay, Marika; Lundström, Linda; Rosén, Robert; Nilsson, Maria; Unsbo, Peter; Brautaset, Rune

    2011-11-01

    The aim of the present project was to investigate accommodative behavior in young adults and adolescents fitted with an aspheric multifocal (center distance) contact lens with focus on evaluating whether these lenses can be an alternative treatment for subjects in which a reduced level of blur and thereby accommodation in near vision is aimed at. Twenty normal subjects aged between 21 and 35 years participated in the study. Aberrometry was perfomed using a Zywave™ aberrometer, first on the uncorrected eyes of all subjects, and again while the subjects wore a multifocal contact lens with a +1.00 add. A Shin-Nippon N Vision-K 5001 Autoref-Keratometer was used to measure accommodative response with two different refractive corrections: (1) habitual spectacle correction only, and (2) habitual correction and a aspheric multifocal (center distance) contact lens. Four hours of adaptation to the lens was allowed. The lag when wearing only the habitual spectacles was compared with the lag while wearing both the habitual spectacles and the aspheric multifocal contact lens. The mean lag of accommodation for the subject group was 0.85 D (±0.57 SD) and 0.75 D (±0.52 SD) without and with the multifocal lens, respectively. Statistical analyses showed no difference in lag (t = 0.8479, p = 0.407) with and without the lens. In conclusion, young normal subjects do not relax accommodation when fitted with aspheric multifocal center distance lenses when the addition is +1.00. It is therefore unlikely that subjects with accommodative ability, in whom the treatment purpose is to reduce blur and thereby accommodation, can be effectively treated with such lenses.

  16. Accommodative and convergence response to computer screen and printed text

    NASA Astrophysics Data System (ADS)

    Ferreira, Andreia; Lira, Madalena; Franco, Sandra

    2011-05-01

    The aim of this work was to find out if differences exist in accommodative and convergence response for different computer monitors' and a printed text. It was also tried to relate the horizontal heterophoria value and accommodative response with the symptoms associated with computer use. Two independents experiments were carried out in this study. The first experiment was measuring the accommodative response on 89 subjects using the Grand Seiko WAM-5500 (Grand Seiko Co., Ltd., Japan). The accommodative response was measured using three computer monitors: a 17-inch cathode ray tube (CRT), two liquid crystal displays LCDs, one 17-inch (LCD17) and one 15 inches (LCD15) and a printed text. The text displayed was always the same for all the subjects and tests. A second experiment aimed to measure the value of habitual horizontal heterophoria on 80 subjects using the Von Graefe technique. The measurements were obtained using the same target presented on two different computer monitors, one 19-inch cathode ray tube (CRT) and other 19 inches liquid crystal displays (LCD) and printed on paper. A small survey about the incidence and prevalence of symptoms was performed similarly in both experiments. In the first experiment, the accommodation response was higher in the CRT and LCD's than for paper. There were not found significantly different response for both LCD monitors'. The second experiment showed that, the heterophoria values were similar for all the stimuli. On average, participants presented a small exophoria. In both experiments, asthenopia was the symptom that presented higher incidence. There are different accommodative responses when reading on paper or on computer monitors. This difference is more significant for CRT monitors. On the other hand, there was no difference in the values of convergence for the computer monitors' and paper. The symptoms associated with the use of computers are not related with the increase in accommodation and with the horizontal

  17. Magnetoassociation of KRb Feshbach molecules

    NASA Astrophysics Data System (ADS)

    Cumby, Tyler; Perreault, John; Shewmon, Ruth; Jin, Deborah

    2010-03-01

    I will discuss experiments in which we study the creation of ^40K^87Rb Feshbach molecules via magnetoassociation. We measure the molecule number as a function of the magnetic-field sweep rate through the interspecies Feshbach resonance and explore the dependence of association on the initial atom gas conditions. This study of the Feshbach molecule creation process may be relevant to the production of ultracold polar molecules, where magnetoassociated Feshbach molecules can be a crucial first step [1].[4pt] [1] K.-K. Ni, S. Ospelkaus, M. H. G. de Miranda, A. Peer, B. Neyenhuis, J. J. Zirbel, S. Kotochigova, P. S. Julienne, D. S. Jin, and J. Ye, Science, 2008, 322, 231- 235.

  18. Magnetoassociation of KRb Feshbach molecules

    NASA Astrophysics Data System (ADS)

    Cumby, Tyler; Perreault, John; Shewmon, Ruth; Jin, Deborah

    2010-03-01

    I will discuss experiments in which we study the creation of ^40K^87Rb Feshbach molecules via magnetoassociation. We measure the molecule number as a function of the magnetic-field sweep rate through the interspecies Feshbach resonance and explore the dependence of association on the initial atom gas conditions. This study of the Feshbach molecule creation process may be relevant to the production of ultracold polar molecules, where magnetoassociated Feshbach molecules can be a crucial first step [1].[4pt] [1] K.-K. Ni, S. Ospelkaus, M. H. G. de Miranda, A. Peer, B. Neyenhuis, J. J. Zirbel, S. Kotochigova, P. S. Julienne, D. S. Jin, and J. Ye, Science, 2008, 322, 231-235.

  19. Cold molecules, collisions and reactions

    NASA Astrophysics Data System (ADS)

    Hecker Denschlag, Johannes

    2016-05-01

    I will report on recent experiments of my group where we have been studying the formation of ultracold diatomic molecules and their subsequent inelastic/reactive collisions. For example, in one of these experiments we investigate collisions of triplet Rb2 molecules in the rovibrational ground state. We observe fast molecular loss and compare the measured loss rates to predictions based on universality. In another set of experiments we investigate the formation of (BaRb)+ molecules after three-body recombination of a single Ba+ ion with two Rb atoms in an ultracold gas of Rb atoms. Our investigations indicate that the formed (BaRb)+ molecules are weakly bound and that several secondary processes take place ranging from photodissociation of the (BaRb)+ molecule to reactive collisions with Rb atoms. I will explain how we can experimentally distinguish these processes and what the typical reaction rates are. Support from the German Research foundation DFG and the European Community is acknowledged.

  20. Theorizing accommodation in supportive home care for older people.

    PubMed

    Ceci, Christine; Purkis, Mary Ellen; Björnsdóttir, Kristin

    2013-01-01

    This paper examines the issue of what thinking is necessary in order to advance a notion of accommodation in the organization and provision of supportive home care for older people. Accommodation in this context is understood as responsiveness to the singularity of older adults, and we consider how this idea might be used to support opportunities for (independent) living for elders as they age and become frailer. To elaborate the question we draw on examples from our empirical work - ethnographic studies of home care practice undertaken in Canada and Iceland - and consider these examples in light of critical philosophical and social theory, particularly Agamben's (1993) work, The Coming Community. This is a relevant frame through which to consider the potential for the accommodation of the unique needs of older adults in home care because it helps us to problematize the systems through which care is accomplished and the current, dominant terms of relations between individuals and collectives. We argue that giving substance to a notion of accommodation contributes an important dimension to aligned ideas, such as patient-centeredness in care, by working to shift the intentionality of these practices. That is, accommodation, as an orientation to care practices, contests the organizational impulse to carry on in the usual way. PMID:23273554