Science.gov

Sample records for accommodates gas molecules

  1. Measurement of Gas-Surface Accommodation

    NASA Astrophysics Data System (ADS)

    Trott, W. M.; Rader, D. J.; Castañeda, J. N.; Torczynski, J. R.; Gallis, M. A.

    2008-12-01

    Thermal accommodation coefficients have been determined for a variety of gas-surface combinations using an experimental apparatus developed to measure both the pressure dependence of the conductive heat flux and the variation of gas density between parallel plates separated by a gas-filled gap. Effects of gas composition, surface roughness and surface contamination have been examined with this system, and the behavior of gas mixtures has also been explored. Results are discussed in comparison with previous parallel-plate experimental studies as well as numerical simulations.

  2. Dynamics and mass accommodation of HCl molecules on sulfuric acid-water surfaces.

    PubMed

    Behr, P; Scharfenort, U; Ataya, K; Zellner, R

    2009-09-28

    A molecular beam technique has been used to study the dynamics and mass accommodation of HCl molecules in collision with sulfuric acid-water surfaces. The experiments were performed by directing a nearly mono-energetic beam of HCl molecules onto a continuously renewed liquid film of 54-76 wt% sulfuric acid at temperatures between 213 K and 243 K. Deuterated sulfuric acid was used to separate sticking but non-reactive collisions from those that involved penetration through the phase boundary followed by dissociation and recombination with D+. The results indicate that the mass accommodation of HCl on sulfuric acid-water surfaces decreases sharply with increasing acidity over the concentration range 54-76 wt%. Using the capillary wave theory of mass accommodation this effect is explained by a change of the surface dynamics. Regarding the temperature dependence it is found that the mass accommodation of HCl increases with increasing temperature and is limited by the bulk phase viscosity and driven by the restoring forces of the surface tension. These findings imply that under atmospheric conditions the uptake of HCl from the gas phase depends crucially on the bulk phase parameters of the sulfuric acid aerosol.

  3. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    SciTech Connect

    Sartori, E. Serianni, G.; Brescaccin, L.

    2016-02-15

    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.

  6. 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

  7. 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.

  8. 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

  9. A quantum gas of polar molecules

    NASA Astrophysics Data System (ADS)

    Ni, Kang-Kuen

    Ultracold polar molecular gases promise new directions and exciting applications in precision measurements, ultracold chemistry, electric-field controlled collisions, dipolar quantum gases, and quantum information sciences. This thesis presents experimental realization of a near quantum degenerate gas of polar molecules, where the phase-space density of the gas achieved is more than 10 orders of magnitude higher than previous results. The near quantum degenerate gas of polar molecules is created using two coherent steps. First, atoms in an ultracold gas mixture are converted into extremely weakly bound molecules near a Fano-Feshbach resonance. Second, the weakly bound molecules are transferred to the ro-vibronic ground state using a coherent two-photon Raman technique. The fact that these ground-state molecules are polar is confirmed with a spectroscopic measurement of the permanent electric dipole moment. Finally, manipulation of the molecular hyperfine state is demonstrated; this allows molecules to be populated in a single quantum state, in particular, the lowest energy state. With an ultracold gas of molecules, full control of molecular internal state, and electric field as a new handle, ultracold molecular collisions, including ultracold chemical reactions and dipolar collisions, are studied.

  10. The gas-grain interaction in the interstellar medium - Thermal accommodation and trapping

    NASA Astrophysics Data System (ADS)

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

    1983-02-01

    The paper develops a numerical model for calculating thermal accommodation coefficients alphaT and trapping functions ft for gases incident on solid surfaces. The method is especially designed for astrophysical applications in that it treats economically and with moderate accuracy (+ or - 20%) the dependences of alphaT and ft on finite and different surface and gas temperatures for a large number of gas-surface combinations. In particular, the method is applied to the astrophysical combinations of hydrogen and helium gases incident on graphite, silicon, and ice surfaces. Graphs are presented of the dependence of alphaT and ft on interstellar gas temperatures in the range of 10 to 10,000 K and grain temperatures in the range 10 to 1000 K, assuming the current estimates of the gas-surface physical parameters such as the composition and the Debye temperature of the grain material, the repulsive range of the surface potential, and the gas-grain adsorption energy.

  11. 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.

  12. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

  14. The Accommodation Coefficient of Water Molecules on Ice: Results from Cirrus Cloud Experiments at the Aerosol Chamber AIDA

    NASA Astrophysics Data System (ADS)

    Skrotzki, J.; Connolly, P.; Niemand, M.; Saathoff, H.; Moehler, O.; Ebert, V.; Leisner, T.

    2010-12-01

    Cirrus clouds are pure ice clouds in the upper troposphere or lower stratosphere. One of the parameters governing the growth of ice crystals in these clouds is the accommodation coefficient of water molecules on ice. However, its magnitude is still uncertain to a large degree, since experimental results vary from below 0.01 up to unity depending on the design of the experiment and the examined ice growth process [1]. For the specific case of ice crystal growth in cirrus clouds, no previous experimental studies regarding the accommodation coefficient exist. Therefore, dedicated experiments were carried out at the cloud simulation chamber AIDA [2], examining the ice crystal growth for deposition nucleation in the temperature range from -75 °C to -40 °C. These experiments were evaluated with two different models, a simple one, which just incorporates kinetic and diffusive theory of ice crystal growth, and the more advanced and extended aerosol-cloud-precipitation interaction model (ACPIM) [3]. The outcome of these two models is compared to absolute in-situ humidity data measured within AIDA using extractive as well as open path diode laser hygrometers (TDLAS) [4]. For every experiment, this is done by varying the value of the accommodation coefficient within each model, in order to get best agreement with experimental data. The values obtained for the accommodation coefficient at different temperatures are presented and the overall uncertainties as well as the consistency between the two different models are discussed. [1] D. R. Heynes, N. J. Tro, and S. M. George, J. Phys. Chem. 1992, 96, 8502-8509 (1992) [2] O. Möhler et al., Atmos. Chem. Phys. 3, 211-223 (2003) [3] P. J. Connolly et al., Atmos. Chem. Phys. 9, 2805-2824 (2009) [4] D. W. Fahey et al., AquaVIT White Paper, avail. at https://aquavit.icg.kfa-juelich.de/AquaVit/AquaVitWiki

  15. A simulation of gas flow: The dependence of the tangential momentum accommodation coefficient on molecular mass

    NASA Astrophysics Data System (ADS)

    Lim, William W.; Suaning, Gregg J.; McKenzie, David R.

    2016-09-01

    The tangential momentum accommodation coefficient (TMAC) influences the rate of pressure driven flow of a gas in a channel. The manner in which TMAC depends on the molecular mass is of importance as it influences the extent to which gas flow rates are affected by their mass, but there are conflicting opinions in the literature concerning the extent and even the sign of this dependence. We simulate the flow of the noble gases He, Ne, Ar, Kr, and Xe using molecular dynamics with Lennard-Jones potentials. The interaction with the wall is made realistic by simulating five layers of mobile atoms and allowing for adsorbed gas on the wall. With increasing mass of the gas, the TMAC exhibits asymptotic behaviour in approaching the value assumed to apply for an entrapped atom. Either increasing or decreasing TMAC with respect to an increasing molecular mass is produced, depending on the assumed TMAC of an entrapped atom. This resolves a conflict in the literature, where both increasing and decreasing trends are observed with mass.

  16. Influence of buried hydrogen-bonding groups within monolayer films on gas-surface energy exchange and accommodation.

    PubMed

    Ferguson, M K; Lohr, J R; Day, B S; Morris, J R

    2004-02-20

    Self-assembled monolayers (SAMs) of carbonyl-containing alkanethiols on gold are employed to explore the influence of hydrogen-bonding interactions on gas-surface energy exchange and accommodation. H-bonding, COOH-terminated SAMs are found to produce more impulsive scattering and less thermal accommodation than non-H-bonding, COOCH3-terminated monolayers. For carbamate-functionalized SAMs of the form Au/S(CH2)16OCONH(CH2)(n-1)CH3, impulsive scattering decreases and accommodation increases as the H-bonding group is positioned farther below the terminal CH3.

  17. Failing to Fix What is Found: Risk Accommodation in the Oil and Gas Industry.

    PubMed

    Stackhouse, Madelynn R D; Stewart, Robert

    2017-01-01

    The present program of research synthesizes the findings from three studies in line with two goals. First, the present research explores how the oil and gas industry is performing at risk mitigation in terms of finding and fixing errors when they occur. Second, the present research explores what factors in the work environment relate to a risk-accommodating environment. Study 1 presents a descriptive evaluation of high-consequence incidents at 34 oil and gas companies over a 12-month period (N = 873), especially in terms of those companies' effectiveness at investigating and fixing errors. The analysis found that most investigations were fair in terms of quality (mean = 75.50%), with a smaller proportion that were weak (mean = 11.40%) or strong (mean = 13.24%). Furthermore, most companies took at least one corrective action for high-consequence incidents, but few of these corrective actions were confirmed as having been completed (mean = 13.77%). In fact, most corrective actions were secondary interim administrative controls (e.g., having a safety meeting) rather than fair or strong controls (e.g., training, engineering elimination). Study 2a found that several environmental factors explain the 56.41% variance in safety, including management's disengagement from safety concerns, finding and fixing errors, safety management system effectiveness, training, employee safety, procedures, and a production-over-safety culture. Qualitative results from Study 2b suggest that a compliance-based culture of adhering to liability concerns, out-group blame, and a production-over-safety orientation may all impede safety effectiveness.

  18. 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.

  19. Gas molecule-molecule interaction and the gas-surface scattering effect on the rarefied gas flow through a slit into a vacuum

    SciTech Connect

    Sazhin, O.

    2009-05-15

    The effect of the gas molecule-molecule interaction and the gas-surface scattering on the gas flow through a slit into a vacuum are investigated in a wide range of the gas rarefaction using the direct simulation Monte Carlo method. To study the gas molecule-molecule interaction influence, we used the variable hard sphere and variable soft sphere models defined for an inverse-power-law potential and the generalized hard sphere model defined for the 12-6 Lennard-Jones potential. The Maxwell, Cercignani-Lampis, and Epstein models were used to simulate the gas-surface scattering. This study demonstrates that the gas molecule-molecule interaction can have a significant influence on the rarefied gas flow through a slit, while the influence of the gas-surface scattering is negligibly small. The presented numerical results are in agreement with the corresponding experimental ones.

  20. Gas molecule-molecule interaction and the gas-surface scattering effect on the rarefied gas flow through a slit into a vacuum

    NASA Astrophysics Data System (ADS)

    Sazhin, O.

    2009-05-01

    The effect of the gas molecule-molecule interaction and the gas-surface scattering on the gas flow through a slit into a vacuum are investigated in a wide range of the gas rarefaction using the direct simulation Monte Carlo method. To study the gas molecule-molecule interaction influence, we used the variable hard sphere and variable soft sphere models defined for an inverse-power-law potential and the generalized hard sphere model defined for the 12-6 Lennard-Jones potential. The Maxwell, Cercignani-Lampis, and Epstein models were used to simulate the gas-surface scattering. This study demonstrates that the gas molecule-molecule interaction can have a significant influence on the rarefied gas flow through a slit, while the influence of the gas-surface scattering is negligibly small. The presented numerical results are in agreement with the corresponding experimental ones.

  1. 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.

  2. 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.

  3. Ultraviolet absorption spectra of metalorganic molecules diluted in hydrogen gas

    NASA Astrophysics Data System (ADS)

    Itoh, Hideo; Watanabe, Masanobu; Mukai, Seiji; Yajima, Hiroyoshi

    1988-12-01

    Ultraviolet absorption spectra of trimethyl gallium, triethyl gallium, and trimethyl aluminum diluted in hydrogen gas were measured as a function of the wavelength (185-350 nm) and the concentration of the molecules (4.8×10 -6 -1.6×10 -4 mol/liter). Their absorbances changed linearly with the concentration of the molecules, which allowed us to calculate the molar absorption coefficients of the molecules on the basis of the Beer-Lambert law.

  4. Small Molecule Catalysts for Harvesting Methane Gas

    SciTech Connect

    Baker, S. E.; Ceron-Hernandez, M.; Oakdale, J.; Lau, E. Y.

    2016-12-06

    As the average temperature of the earth increases the impact of these changes are becoming apparent. One of the most dramatic changes to the environment is the melting of arctic permafrost. The disappearance of the permafrost has resulted in release of streams of methane that was trapped in remote areas as gas hydrates in ice. Additionally, the use of fracking has also increased emission of methane. Currently, the methane is either lost to the atmosphere or flared. If these streams of methane could be brought to market, this would be an abundant source of revenue. A cheap conversion of gaseous methane to a more convenient form for transport would be necessary to economical. Conversion of methane is a difficult reaction since the C-H bond is very stable (104 kcal/mole). At the industrial scale, the Fischer-Tropsch reaction can be used to convert gaseous methane to liquid methanol but is this method is impractical for these streams that have low pressures and are located in remote areas. Additionally, the Fischer-Tropsch reaction results in over oxidation of the methane leading to many products that would need to be separated.

  5. 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)

  6. 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

  7. 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.

  8. 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.

  9. Detection of individual gas molecules adsorbed on graphene.

    PubMed

    Schedin, F; Geim, A K; Morozov, S V; Hill, E W; Blake, P; Katsnelson, M I; Novoselov, K S

    2007-09-01

    The ultimate aim of any detection method is to achieve such a level of sensitivity that individual quanta of a measured entity can be resolved. In the case of chemical sensors, the quantum is one atom or molecule. Such resolution has so far been beyond the reach of any detection technique, including solid-state gas sensors hailed for their exceptional sensitivity. The fundamental reason limiting the resolution of such sensors is fluctuations due to thermal motion of charges and defects, which lead to intrinsic noise exceeding the sought-after signal from individual molecules, usually by many orders of magnitude. Here, we show that micrometre-size sensors made from graphene are capable of detecting individual events when a gas molecule attaches to or detaches from graphene's surface. The adsorbed molecules change the local carrier concentration in graphene one by one electron, which leads to step-like changes in resistance. The achieved sensitivity is due to the fact that graphene is an exceptionally low-noise material electronically, which makes it a promising candidate not only for chemical detectors but also for other applications where local probes sensitive to external charge, magnetic field or mechanical strain are required.

  10. Buffer Gas Cooled Molecule Source for Cpmmw Spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhou, Yan; Grimes, David; Barnum, Timothy J.; Klein, Ethan; Field, Robert W.

    2014-06-01

    We have built a new molecular beam source that implements 20 K Neon buffer gas cooling for the study of the spectra of small molecules. In particular, laser ablation of BaF2 pellets has been optimized to produce a molecular beam of BaF with a number density more than 100 times greater than what we have previously obtained from a typical Smalley-type photoablation supersonic beam source. Moreover, the forward beam velocity of 150 m/s in our apparatus represents an approximate 10-fold reduction, improving spectroscopic resolution from 500 kHz to better than 50 kHz at 100 GHz in a chirped-pulse millimeter-wave experiment in which resolution is limited by Doppler broadening. Novel improvements in our buffer gas source and advantages for CPmmW spectroscopy studies will be discussed. We thank David Patterson, John Barry, John Doyle, and David DeMille for help in the design of our source.

  11. 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.

  12. 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

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

    DOEpatents

    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.

  14. 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)

  15. 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.

  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.

    2016-11-21

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

    PubMed

    Mychaskiw, George

    2011-09-06

    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.

  18. 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.

  19. Cooling, Collisions and non-Sticking of Polyatomic Molecules in a Cryogenic Buffer Gas Cell

    NASA Astrophysics Data System (ADS)

    Piskorski, Julia Hege

    We cool and study trans-Stilbene, Nile Red and Benzonitrile in a cryogenic (7K) cell filled with low density helium buffer gas. No molecule-helium cluster formation is observed, indicating limited atom-molecule sticking in this system. We place an upper limit of 5% on the population of clustered He-trans-Stilbene, consistent with a measured He-molecule collisional residence time of less than 1 mus. With several low energy torsional modes, trans-Stilbene is less rigid than any molecule previously buffer gas cooled into the Kelvin regime. We report cooling and gas phase visible spectroscopy of Nile Red, a much larger molecule. Our data suggest that buffer gas cooling will be feasible for a variety of small biological molecules. The same cell is also ideal for studying collisional relaxation cross sections. Measurements of Benzonitrile vibrational state decay results in determination of the vibrational relaxation cross sections of sigma22 = 8x10-15 cm2 and sigma 21 = 6x10-15 cm2 for the 22 (v=1) and 21 (v=1) states. For the first time, we directly observe formation of cold molecular dimers in a cryogenic buffer gas cell and determine the dimer formation cross section to be ˜10-13 cm2.

  20. Effects of gas molecules on an ultraviolet photodetector with a single-layer titania nanosheet

    NASA Astrophysics Data System (ADS)

    Matsuzaki, Koji; Taniguchi, Takaaki; Matsumoto, Yasumichi; Hara, Masahiro

    2015-01-01

    We have demonstrated an ultraviolet photodetector fabricated from a chemically exfoliated single-layer titania nanosheet. The photocurrent showed a clear on/off switching with a short time response under periodic pulsed illuminations. Suppressions of the photocurrent due to environmental gas molecules were observed under medium vacuum region (1.0-300 Pa). The observation even in inert nitrogen gas implies an enhancement of annihilations of photo-excited carriers due to collisions of inert gas molecules on the surface-sensitive titania nanosheet.

  1. Research on Sources of Gas Phase Metastable Atoms and Molecules

    DTIC Science & Technology

    1982-05-01

    PAGI(Whi DeE# WA..teod) -systems of interest to such diverse areas as gas discharge physics, chemical physics, flame chemistry and plasma physics. "A...second task involved a literature review of prior basic research meta- stable sources followed by the development and experimental testing of appro...appropriate for this phase of the program. The operation of this type of metastable source wab investigated and tested for the production of metastable argon

  2. Preferable binding site of gas molecules on graphene nanoribbon with Stone–Wales defect

    NASA Astrophysics Data System (ADS)

    Auzar, Zuriana; Johari, Zaharah; Sakina, S. H.; Alias, N. E.; Abidin, M. S. Z.

    2017-02-01

    The issue of sensitivity of sensing device has focused on the development of sensing devices by using new materials, such as graphene. The gas molecules in different positions such as on, near and far from the defect are placed in the same binding site in two graphene configurations for fair comparison. The interaction between two different graphene configurations such as (pristine armchair graphene nanoribbon (P-AGNR) and Stone–Wales defect on graphene surface (SW-AGNR)) with gas molecules (e.g. O2, N2 and NH3) have been investigated to observe the preferential position site of adsorbate gas molecules. The preferable position sites are investigated by using Extended-Huckel Theory. It is found that, the electronic properties of each configuration are strongly depends on the position of gas molecules and graphene system. Meanwhile, the binding site of the gas molecules on the defective site of graphene surface is a significant factor in determining the sensing behavior of graphene based gas defection device.

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

    PubMed

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

    2016-05-19

    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.

  4. 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.

  5. Small molecule inhibitors block Gas6-inducible TAM activation and tumorigenicity

    PubMed Central

    Kimani, Stanley G.; Kumar, Sushil; Bansal, Nitu; Singh, Kamalendra; Kholodovych, Vladyslav; Comollo, Thomas; Peng, Youyi; Kotenko, Sergei V.; Sarafianos, Stefan G.; Bertino, Joseph R.; Welsh, William J.; Birge, Raymond B.

    2017-01-01

    TAM receptors (Tyro-3, Axl, and Mertk) are a family of three homologous type I receptor tyrosine kinases that are implicated in several human malignancies. Overexpression of TAMs and their major ligand Growth arrest-specific factor 6 (Gas6) is associated with more aggressive staging of cancers, poorer predicted patient survival, acquired drug resistance and metastasis. Here we describe small molecule inhibitors (RU-301 and RU-302) that target the extracellular domain of Axl at the interface of the Ig-1 ectodomain of Axl and the Lg-1 of Gas6. These inhibitors effectively block Gas6-inducible Axl receptor activation with low micromolar IC50s in cell-based reporter assays, inhibit Gas6-inducible motility in Axl-expressing cell lines, and suppress H1299 lung cancer tumor growth in a mouse xenograft NOD-SCIDγ model. Furthermore, using homology models and biochemical verifications, we show that RU301 and 302 also inhibit Gas6 inducible activation of Mertk and Tyro3 suggesting they can act as pan-TAM inhibitors that block the interface between the TAM Ig1 ectodomain and the Gas6 Lg domain. Together, these observations establish that small molecules that bind to the interface between TAM Ig1 domain and Gas6 Lg1 domain can inhibit TAM activation, and support the further development of small molecule Gas6-TAM interaction inhibitors as a novel class of cancer therapeutics. PMID:28272423

  6. 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

  7. 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.

  8. Positron Impact Ionization in Noble Gas Atoms and Diatomic Molecules

    NASA Astrophysics Data System (ADS)

    Marler, J. P.

    2005-05-01

    Results are presented for absolute positronium formation and direct ionization by positron impact on Ne, Ar, Kr, Xe, N2, CO and O2 at energies from threshold up to 90 eV. The experiments use a high-resolution, trap-based positron beam and exploit the properties of positron orbits in a magnetic field [1]. Results for the noble gases are compared with theoretical predictions and with measurements obtained using a significantly different method [2]. Results for diatomic molecules are compared to other available measurements and theoretical calculations where available. There is generally good agreement between the experimental measurements, providing an important benchmark for theoretical calculations. Intriguing features in Ar and O2 will be discussed. [1] J.P. Sullivan, S.J. Gilbert, J.P. Marler, R.G. Greaves, S.J. Buckman and C.M. Surko., Phys. Rev. A. 66, 042708 (2002) [2] J.P. Marler, J.P. Sullivan and C.M. Surko, Phys. Rev. A (2005), in press.

  9. Exploring the dynamic behaviors and transport properties of gas molecules in a transmembrane cyclic peptide nanotube.

    PubMed

    Li, Rui; Fan, Jianfen; Li, Hui; Yan, Xiliang; Yu, Yi

    2013-12-05

    The dynamic behaviors and transport properties of O2, CO2, and NH3 molecules through a transmembrane cyclic peptide nanotube (CPNT) of 8×cyclo-(WL)4/POPE have been investigated by steered molecular dynamics (SMD) simulations and adaptive biasing force (ABF) samplings. Different external forces are needed for three gas molecules to enter the channel. The periodic change of the pulling force curve for a gas traveling through the channel mainly arises from the regular and periodic arrangement of the composed CP subunits of the CPNT. Radial distribution functions (RDFs) between gas and water disclose the density decrease of channel water, which strongly aggravates the discontinuity of H-bond formation between a gas molecule and the neighboring water. Compared to hardly any H-bond formation between CO2 (or O2) and the framework of the CPNT, NH3 can form abundant H-bonds with the carbonyl/amide groups of the CPNT, leading to a fierce competition to NH3-water H-bonded interactions. In addition to direct H-bonded interactions, all three gases can form water bridges with the tube. The potential profile of mean force coincides with the occurring probability of a gas molecule along the tube axis. The energy barriers at two mouths of the CPNT elucidate the phenomenon that CO2 and O2 are thoroughly confined in the narrow lumen while NH3 can easily go outside the tube. Intermolecular interactions of each gas with channel water and the CPNT framework and the formation of H-bonds and water bridges illuminate the different gas translocation behaviors. The results uncover interesting and comprehensive mechanisms underlying the permeation characteristics of three gas molecules traveling through a transmembrane CPNT.

  10. Reproductive effects of the water-accommodated fraction of a natural gas condensate in the Indo-Pacific reef-building coral Pocillopora damicornis.

    PubMed

    Villanueva, R D; Yap, H T; Montaño, M N E

    2011-11-01

    Toxic effects of the water-accommodated fraction (WAF) of a natural gas condensate on the reproduction of the brooding coral Pocillopora damicornis were studied in short-term (24 h) laboratory experiments. Coral fragments were exposed to varying concentrations of condensate WAF during different reproductive phases: gametogenesis, early embryogenesis, and late embryogenesis (when nighttime planulation occurs). During gametogenesis, exposure to condensate WAF did not inhibit subsequent production of larvae. On the other hand, exposure to >25% WAF of gravid corals, at early and late embryogenesis, resulted in abortion and early release of larvae, respectively, with higher percentages of larvae expelled in fragments treated with higher concentrations of condensate WAF at least 3h after onset of exposure. Aborted larvae during early embryogenesis were 'premature', as they are of small size (0.06±0.03 mm³), low metamorphic competency (54%), and white in coloration, with a pale brown oral end (indicating low density of zooxanthellae). Those larvae released at the latter part of embryogenesis are bigger in size (0.22±0.08 mm³), possess 100% metamorphic competency, and are brown in coloration (high density of zooxanthellae). Aside from direct effects on reproduction, fragment mortality index was higher in samples exposed to higher concentrations of condensate WAF (>25%), hence lowering the number of potentially reproducing polyps. Altogether, exposure to >25% natural gas condensate WAF for at least 3h can potentially disrupt the replenishment of coral populations due to negative effects on reproduction and early life processes.

  11. Measurement of the orientation of buffer-gas-cooled, electrostatically-guided ammonia molecules

    NASA Astrophysics Data System (ADS)

    Steer, Edward W.; Petralia, Lorenzo S.; Western, Colin M.; Heazlewood, Brianna R.; Softley, Timothy P.

    2017-02-01

    The extent to which the spatial orientation of internally and translationally cold ammonia molecules can be controlled as molecules pass out of a quadrupole guide and through different electric field regions is examined. Ammonia molecules are collisionally cooled in a buffer gas cell, and are subsequently guided by a three-bend electrostatic quadrupole into a detection chamber. The orientation of ammonia molecules is probed using (2 + 1) resonance-enhanced multiphoton ionisation (REMPI), with the laser polarisation axis aligned both parallel and perpendicular to the time-of-flight axis. Even with the presence of a near-zero field region, the ammonia REMPI spectra indicate some retention of orientation. Monte Carlo simulations propagating the time-dependent Schrödinger equation in a full basis set including the hyperfine interaction enable the orientation of ammonia molecules to be calculated - with respect to both the local field direction and a space-fixed axis - as the molecules pass through different electric field regions. The simulations indicate that the orientation of ∼95% of ammonia molecules in JK =11 could be achieved with the application of a small bias voltage (17 V) to the mesh separating the quadrupole and detection regions. Following the recent combination of the buffer gas cell and quadrupole guide apparatus with a linear Paul ion trap, this result could enable one to examine the influence of molecular orientation on ion-molecule reaction dynamics and kinetics.

  12. Generation and orientation of organoxenon molecule H-Xe-CCH in the gas phase

    SciTech Connect

    Poterya, Viktoriya; Votava, Ondrej; Farnik, Michal; Oncak, Milan; Slavicek, Petr; Buck, Udo; Friedrich, Bretislav

    2008-03-14

    We report on the first observation of the organoxenon HXeCCH molecule in the gas phase. This molecule has been prepared in a molecular beam experiment by 193 nm photolysis of an acetylene molecule on Xe{sub n} clusters (n{approx_equal}390). Subsequently the molecule has been oriented via the pseudo-first-order Stark effect in a strong electric field of the polarized laser light combined with the weak electrostatic field in the extraction region of a time-of-flight spectrometer. The experimental evidence for the oriented molecule has been provided by measurements of its photodissociation. For comparison, photolysis of C{sub 2}H{sub 2} on Ar{sub n} clusters (n{approx_equal}280) has been measured. Here the analogous rare gas molecule HArCCH could not be generated. The interpretation of our experimental findings has been supported by ab initio calculations. In addition, the experiment together with the calculations reveals information on the photochemistry of the HXeCCH molecule. The 193 nm radiation excites the molecule predominantly into the 2 {sup 1}{sigma}{sup +} state, which cannot dissociate the Xe-H bond directly, but the system evolves along the Xe-C coordinate to a conical intersection of a slightly nonlinear configuration with the dissociative 1 {sup 1}{pi} state, which then dissociates the Xe-H bond.

  13. Generation and orientation of organoxenon molecule H-Xe-CCH in the gas phase

    NASA Astrophysics Data System (ADS)

    Poterya, Viktoriya; Votava, Ondřej; Fárník, Michal; Ončák, Milan; Slavíček, Petr; Buck, Udo; Friedrich, Břetislav

    2008-03-01

    We report on the first observation of the organoxenon HXeCCH molecule in the gas phase. This molecule has been prepared in a molecular beam experiment by 193nm photolysis of an acetylene molecule on Xen clusters (n¯≈390). Subsequently the molecule has been oriented via the pseudo-first-order Stark effect in a strong electric field of the polarized laser light combined with the weak electrostatic field in the extraction region of a time-of-flight spectrometer. The experimental evidence for the oriented molecule has been provided by measurements of its photodissociation. For comparison, photolysis of C2H2 on Arn clusters (n¯≈280) has been measured. Here the analogous rare gas molecule HArCCH could not be generated. The interpretation of our experimental findings has been supported by ab initio calculations. In addition, the experiment together with the calculations reveals information on the photochemistry of the HXeCCH molecule. The 193nm radiation excites the molecule predominantly into the 2Σ+1 state, which cannot dissociate the Xe-H bond directly, but the system evolves along the Xe-C coordinate to a conical intersection of a slightly nonlinear configuration with the dissociative 1Π1 state, which then dissociates the Xe-H bond.

  14. 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.

  15. Effects of polymer coating on the adsorption of gas molecules on carbon nanotube networks

    SciTech Connect

    Kim, Sanghun; Lee, Hyeong Rag; Yun, Yong Ju; Ji, Seungmuk; Yoo, Kwonjae; Yun, Wan Soo; Koo, Ja-Yong; Ha, Dong Han

    2007-08-27

    Functionalization of carbon nanotubes (CNTs) with polymers such as polyethyleneimine or nafion was found to not change the adsorption properties of gas molecules on CNTs, although functionalization can remarkably enhance the sensitivity of gas sensors. Charge transfer between adsorbed molecules and single-walled carbon nanotubes (SWCNTs) at defect sites causes a steep and nonlinear conductance change at low gas concentrations, while molecules physically adsorbed on the pristine surfaces result in the linear electrical responses at higher concentrations. In addition, the molecular binding energies at defect sites of SWCNTs were measured to be 0.61 eV for NO{sub 2} and 0.53 eV for NH{sub 3}.

  16. Sensitivity and resolution in frequency comb spectroscopy of buffer gas cooled polyatomic molecules

    NASA Astrophysics Data System (ADS)

    Changala, P. Bryan; Spaun, Ben; Patterson, David; Doyle, John M.; Ye, Jun

    2016-12-01

    We discuss the use of cavity-enhanced direct frequency comb spectroscopy in the mid-infrared region with buffer gas cooling of polyatomic molecules for high-precision rovibrational absorption spectroscopy. A frequency comb coupled to an optical enhancement cavity allows us to collect high-resolution, broad-bandwidth infrared spectra of translationally and rotationally cold (10-20 K) gas-phase molecules with high absorption sensitivity and fast acquisition times. The design and performance of the combined apparatus are discussed in detail. Recorded rovibrational spectra in the CH stretching region of several organic molecules, including vinyl bromide (CH_2CHBr), adamantane (C_{10}H_{16}), and diamantane (C_{14}H_{20}) demonstrate the resolution and sensitivity of this technique, as well as the intrinsic challenges faced in extending the frontier of high-resolution spectroscopy to large complex molecules.

  17. Imaging molecular structure through femtosecond photoelectron diffraction on aligned and oriented gas-phase molecules.

    PubMed

    Boll, Rebecca; Rouzée, Arnaud; Adolph, Marcus; Anielski, Denis; Aquila, Andrew; Bari, Sadia; Bomme, Cédric; Bostedt, Christoph; Bozek, John D; Chapman, Henry N; Christensen, Lauge; Coffee, Ryan; Coppola, Niccola; De, Sankar; Decleva, Piero; Epp, Sascha W; Erk, Benjamin; Filsinger, Frank; Foucar, Lutz; Gorkhover, Tais; Gumprecht, Lars; Hömke, André; Holmegaard, Lotte; Johnsson, Per; Kienitz, Jens S; Kierspel, Thomas; Krasniqi, Faton; Kühnel, Kai-Uwe; Maurer, Jochen; Messerschmidt, Marc; Moshammer, Robert; Müller, Nele L M; Rudek, Benedikt; Savelyev, Evgeny; Schlichting, Ilme; Schmidt, Carlo; Scholz, Frank; Schorb, Sebastian; Schulz, Joachim; Seltmann, Jörn; Stener, Mauro; Stern, Stephan; Techert, Simone; Thøgersen, Jan; Trippel, Sebastian; Viefhaus, Jens; Vrakking, Marc; Stapelfeldt, Henrik; Küpper, Jochen; Ullrich, Joachim; Rudenko, Artem; Rolles, Daniel

    2014-01-01

    This paper gives an account of our progress towards performing femtosecond time-resolved photoelectron diffraction on gas-phase molecules in a pump-probe setup combining optical lasers and an X-ray free-electron laser. We present results of two experiments aimed at measuring photoelectron angular distributions of laser-aligned 1-ethynyl-4-fluorobenzene (C(8)H(5)F) and dissociating, laser-aligned 1,4-dibromobenzene (C(6)H(4)Br(2)) molecules and discuss them in the larger context of photoelectron diffraction on gas-phase molecules. We also show how the strong nanosecond laser pulse used for adiabatically laser-aligning the molecules influences the measured electron and ion spectra and angular distributions, and discuss how this may affect the outcome of future time-resolved photoelectron diffraction experiments.

  18. 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.

  19. 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.

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

    NASA Astrophysics Data System (ADS)

    Bross, David H.; Peterson, Kirk A.

    2014-12-01

    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.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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…

  6. 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

  7. 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.

  8. 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

  9. 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).

  10. High Resolution Rovibrational Spectroscopy of Large Molecules Using Infrared Frequency Combs and Buffer Gas Cooling

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    We have recently demonstrated the integration of cavity-enhanced direct frequency comb spectroscopy with buffer gas cooling to acquire high resolution infrared spectra of translationally and rotationally cold (˜10 K) gas-phase molecules. Here, we extend this method to significantly larger systems, including naphthalene (C10H_8), a prototypical polyaromatic hydrocarbon, and adamantane (C10H_{16}), the fundamental building block of diamonoids. To the authors' knowledge, the latter molecule represents the largest system for which rotationally resolved spectra in the CH stretch region (3 μm) have been obtained. In addition to the measured spectra, we present several details of our experimental methods. These include introducing non-volatile species into the cold buffer gas cell and obtaining broadband spectra with single comb mode resolution. We also discuss recent modifications to the apparatus to improve its absorption sensitivity and time resolution, which facilitate the study of both larger molecular systems and cold chemical dynamics. B. Spaun, et al. Probing buffer-gas cooled molecules with direct frequency comb spectroscopy in the mid-infrared, WF02, 70th International Symposium on Molecular Spectroscopy, Champaign-Urbana, IL, 2015.

  11. Prospect for the formation of a gas of ultracold polar NaRb molecules

    NASA Astrophysics Data System (ADS)

    Quéméner, Goulven; Vexiau, Romain; Wang, Gaoren; Lepers, Maxence; Luc, Eliane; Bouloufa-Maafa, Nadia; Dulieu, Olivier; Wang, Dajun

    2015-05-01

    We present a complete theoretical model for the formation of an ultracold gas of polar NaRb molecules, based on high-precision spectroscopic data completed with accurate quantum chemistry calculations. Weakly-bound molecules are first created via a Feshbach resonance with main triplet character. The population is transfered down to the lowest rovibrational level of the ground state by a coherent STIRAP process. The efficiency of various paths via different electronically-excited molecular states is discussed in relation of the ongoing experimental implementation. Supported by Agence Nationale de la Recherche (ANR), project COPOMOL (# ANR-13-IS04-0004-01).

  12. Infrared Action Spectroscopy of Low-Temperature Neutral Gas-Phase Molecules of Arbitrary Structure

    NASA Astrophysics Data System (ADS)

    Yatsyna, Vasyl; Bakker, Daniël J.; Salén, Peter; Feifel, Raimund; Rijs, Anouk M.; Zhaunerchyk, Vitali

    2016-09-01

    We demonstrate a technique for IR action spectroscopy that enables measuring IR spectra in a background-free fashion for low-temperature neutral gas-phase molecules of arbitrary structure. The method is exemplified experimentally for N -methylacetamide molecules in the mid-IR spectral range of 1000 - 1800 cm-1 , utilizing the free electron laser FELIX. The technique involves the resonant absorption of multiple mid-IR photons, which induces molecular dissociation. The dissociation products are probed with 10.49 eV vacuum ultraviolet photons and analyzed with a mass spectrometer. We also demonstrate the capability of this method to record, with unprecedented ease, mid-IR spectra for the molecular associates, such as clusters and oligomers, present in a molecular beam. In this way the mass-selected spectra of low-temperature gas-phase dimers and trimers of N -methylacetamide are measured in the full amide I-III range.

  13. 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.

  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.

  15. High-order-harmonic generation using gas-phase H{sub 2}O molecules

    SciTech Connect

    Zhao Songfeng; Jin, Cheng; Le, Anh-Thu; Lin, C. D.; Lucchese, R. R.

    2011-03-15

    We investigate high-order-harmonic generation of isotropically distributed gas-phase H{sub 2}O molecules exposed to an intense laser field. The induced dipole of each individual molecule by the laser field is first calculated using the recently developed quantitative rescattering theory. In a thin medium, harmonic spectra generated coherently from all the molecules are then calculated by solving Maxwell's equation of propagation. By using accurate transition dipoles of H{sub 2}O, we show that the harmonics in the lower plateau region are quite different from models that employ the simpler strong-field approximation. We also examine the magnitude and phase of the harmonics and their dependence on laser focusing conditions.

  16. Buffer Gas Modifiers Effect Resolution in Ion Mobility Spectrometry through Selective Ion-Molecule Clustering Reactions

    PubMed Central

    Fernández-Maestre, Roberto; Wu, Ching; Hill, Herbert H.

    2013-01-01

    RATIONALE When polar molecules (modifiers) are introduced into the buffer gas of an ion mobility spectrometer, most ion mobilities decrease due to the formation of ion-modifier clusters. METHODS We used ethyl lactate, nitrobenzene, 2-butanol, and tetrahydrofuran-2-carbonitrile as buffer gas modifiers and electrospray ionization ion mobility spectrometry (IMS) coupled to quadrupole mass spectrometry. Ethyl lactate, nitrobenzene, and tetrahydrofuran-2-carbonitrile had not been tested as buffer gas modifiers and 2-butanol had not been used with basic amino acids. RESULTS The ion mobilities of several diamines (arginine, histidine, lysine, and atenolol) were not affected or only slightly reduced when these modifiers were introduced into the buffer gas (3.4% average reduction in an analyte's mobility for the three modifiers). Intramolecular bridges caused limited change in the ion mobilities of diamines when modifiers were added to the buffer gas; these bridges hindered the attachment of modifier molecules to the positive charge of ions and delocalized the charge, which deterred clustering. There was also a tendency towards large changes in ion mobility when the mass of the analyte decreased; ethanolamine, the smallest compound tested, had the largest reduction in ion mobility with the introduction of modifiers into the buffer gas (61%). These differences in mobilities, together with the lack of shift in bridge-forming ions, were used to separate ions that overlapped in IMS, such as isoleucine and lysine, and arginine and phenylalanine, and made possible the prediction of separation or not of overlapping ions. CONCLUSIONS The introduction of modifiers into the buffer gas in IMS can selectively alter the mobilities of analytes to aid in compound identification and/or enable the separation of overlapping analyte peaks. PMID:22956312

  17. Numerical analysis on gas-surface interaction by molecular dynamics method. I - Simulation with Lennard-Jones molecules

    NASA Astrophysics Data System (ADS)

    Matsumoto, Yoichiro; Matsui, Jun; Ohashi, Hideo

    1992-07-01

    Rarefied gas flows in various situations are calculated successfully by the direct simulation Monte Carlo method. In the simulation, the Maxwell model, where a gas molecule reflects diffusely with the probability alpha and reflects specularly with the probability 1 - alpha, is widely used for boundary conditions on solid surfaces. However, the value of alpha is determined empirically and varies greatly with conditions such as degree of contamination and temperature of the surface. Rational prediction of the value and analysis of the interaction between gas and solid surface are required. In this paper, the behavior of a gas molecule with collides onto the solid surface is simulated by the molecular dynamics method. The numerical results reveal that the scattering behavior of the gas molecule is neither specular, diffuse, nor Maxwell-type reflection, and that the sticking probability is affected by the initial gas velocity and the potential well depth.

  18. 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.

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

    DOE PAGES

    Mahurin, Shannon Mark; Li, Man -Rong; Wang, Hailong; ...

    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

  20. Photodissociation and caging of HBr and HI molecules on the surface of large rare gas clusters.

    PubMed

    Baumfalk, R; Nahler, N H; Buck, U

    2001-01-01

    Photodissociation experiments were carried out at a wavelength of 243 nm for single HBr and HI molecules adsorbed on the surface of large Nen, Arn, Krn and Xen clusters. The average size is about = 130; the size ranges = 62-139 for the system HBr-Arn and = 110-830 for HI-Xen were covered. In this way the dependence of the photodissociation dynamics on both the size and the rare gas host cluster was investigated. The main observable is the kinetic energy distribution of the outgoing H atoms. The key results are that we do not find any size dependence for either system but that we observe a strong dependence on the rare gas clusters. All systems exhibit H atoms with no energy loss that indicate direct cage exit and those with nearly zero energy that are an indication of complete caging. The intensity ratio of caged to uncaged H atoms is largest for Nen, decreases with increasing mass of the cage atoms, and is weakest for Xen. On the basis of accompanying calculations this behaviour is attributed to the large amplitude motion of the light H atom. This leads to direct cage exit and penetration of the atom through the cluster with different energy transfer per collision depending on the rare gas atoms. The differences between HBr and HI molecules are attributed to different surface states, a flat and an encapsulated site.

  1. The double dark resonance in a cold gas of Cs atoms and molecules.

    PubMed

    Feng, ZhiFang; Li, WeiDong; Xiao, LianTuan; Jia, SuoTang

    2008-09-29

    We theoretically investigated the properties of the effective four-level stimulated Raman adiabatic passage scheme in a cold gas of Cs atoms and molecules, where exists the tunnelling coupling between two excited molecular states due to the 0(g)- (6S,6P(3/2)) double well structure. The double dark resonance is predicted in the absorption spectrum when the tunnelling coupling strength is large enough. The double dark resonance not only reveals the formation of the ultra-cold molecules, but also provides further evidence for the tunnelling as one effective coupling mechanism between the two excited molecular states. The effect of the various experimental conditions on this phenomena has been discussed.

  2. 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.

  3. 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

  4. Methods for Using Ab Initio Potential Energy Surfaces in Studies of Gas-Phase Reactions of Energetic Molecules

    DTIC Science & Technology

    2014-08-20

    Ab Initio Potential Energy Surfaces in Studies of Gas-Phase Reactions of Energetic Molecules The focus of this research was to apply efficient...methods for using ab initio potential energy surfaces (PESs) computed with high levels of quantum chemistry theory to predict chemical reaction properties...in non peer-reviewed journals: Methods for Using Ab Initio Potential Energy Surfaces in Studies of Gas-Phase Reactions of Energetic Molecules Report

  5. 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

  6. Handbook of Reasonable Accommodation.

    ERIC Educational Resources Information Center

    Heaton, Sandra M.; And Others

    The booklet discusses a basic concept in affirmative action and nondiscrimination for the handicapped, which requires federal agencies to make reasonable accommodation to the physical or mental limitations of a qualified handicapped applicant or employee unless the accommodation would impose an undue hardship on the agency. Reasonable…

  7. Analyzing Disability Accommodation Statements

    ERIC Educational Resources Information Center

    Barnard-Brak, L.; Lan, W. Y.

    2011-01-01

    Studies have indicated that the willingness of faculty members to accommodate students with disabilities differs according to academic discipline and instructor gender. The authors examined the attitudes of faculty members toward students with disabilities as reflected in course syllabi to discern instructor willingness to accommodate these…

  8. 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.

  9. Gas Hydrate and Acoustically Laminated Sediments: Potential Environmental Cause of Anomalously Low Acoustic Bottom Loss in Deep-Ocean Sediments

    DTIC Science & Technology

    1990-02-09

    saturation. One volume of water commonly binds from 70 to 220 volumes of gas. Voids in the atomic lattice of hydrate become increasingly occupied at lnwer...gas hydrates are expected in nature. Structure I hydrates, which are less densely packed structures that accommodate varying gas molecule atomic radii...paraffin series natural gas and other gases in relation to atomic size of molecules. The largest allowable size of gas molecules that can be incorporated

  10. Relativistic ultrafast electron diffraction from molecules in the gas phase (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Yang, Jie; Guehr, Markus; Vecchione, Theodore; Robinson, Matthew S.; Li, Renkai; Hartmann, Nick; Shen, Xiaozhe; Centurion, Martin; Wang, Xijie

    2016-10-01

    Ultrafast electron diffraction (UED) is a powerful technique that can be used to resolve structural changes of gas molecules during a photochemical reaction. However, the temporal resolution in pump-probe experiments has been limited to the few-ps level by the space-charge effect that broadens the electron pulse duration and by velocity mismatch between the pump laser pulses and the probe electron pulses, making only long-lived intermediate states accessible. Taking advantage of relativistic effects, Mega-electron-volt (MeV) electrons can be used to suppress both the space-charge effect and the velocity mismatch, and hence to achieve a temporal resolution that is fast enough to follow coherent nuclear motion in the target molecules. In this presentation, we show the first MeV UED experiments on gas phase targets. These experiments not only demonstrate that femtosecond temporal resolution is achieved, but also show that the spatial resolution is not compromised. This unprecedented combination of spatiotemporal resolution is sufficient to image coherent nuclear motions, and opens the door to a new class of experiments where the structural changes can be followed simultaneously in both space and time.

  11. 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.

  12. Computational study of peptide bond formation in the gas phase through ion-molecule reactions.

    PubMed

    Redondo, Pilar; Martínez, Henar; Cimas, Alvaro; Barrientos, Carmen; Largo, Antonio

    2013-08-21

    A computational study of peptide bond formation from gas-phase ion-molecule reactions has been carried out. We have considered the reaction between protonated glycine and neutral glycine, as well as the reaction between two neutral glycine molecules for comparison purposes. Two different mechanisms, concerted and stepwise, were studied. Both mechanisms show significant energy barriers for the neutral reaction. The energy requirements for peptide bond formation are considerably reduced upon protonation of one of the glycine molecules. For the reaction between neutral glycine and N-protonated glycine the lowest energy barrier is observed for the concerted mechanism. For the reaction between neutral glycine and protonated glycine at carbonyl oxygen, the preferred mechanism is the stepwise one, with a relatively small energy barrier (23 kJ mol(-1) at 0 K) and leading to the lowest-lying protonated glycylglycine isomer. In the case that the reaction could be initiated by protonated glycine at hydroxyl oxygen the process would be barrier-free and clearly exothermic. In that case peptide bond formation could take place even under interstellar conditions if glycine is present in space.

  13. 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.

  14. 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

  15. International Space Station payload accommodations

    NASA Astrophysics Data System (ADS)

    Hartman, Daniel W.

    1999-01-01

    The International Space Station (ISS) is a low Earth orbiting facility for conducting research in life science, microgravity, Earth observations, and Engineering Research and Technology. Assembled on-orbit at a nominal altitude of 220 nautical miles, it will provide a shirt-sleeve environment for conducting research in six laboratories: the US Laboratory (US Lab), the Japanese Experiment Module (JEM), the European Columbus Orbiting Facility (COF), the Centrifuge Accommodations Module (CAM), and the Russian Research Modules. Supplies will be replenished using the Multi-Purpose Pressurized Logistics Module (MPLM), a conditioned pressurized transport carrier which will also return passive and perishable payload cargo to earth. External Earth observations can be performed by utilizing the payload attachment points on the truss, the Russian Science Power Platform, the JEM Exposed Facility (EF), and the COF backporch. The pressurized and external locations are equipped with a variety of electrical, avionics, fluids, and gas interfaces to support the experiments. ISS solar arrays, thermal radiators, communication system, propulsion, environmental control, and robotic devices provide the infrastructure to support sustained research. This paper, which reflects the design maturity of payload accommodations at the time of its submittal (10/20/98), is primarily based on the assembly complete configuration of the station. As the design matures, ISS Payload Accommodations will be updated to reflect qualification tests of components and associated analyses of the integrated performance.

  16. 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.

  17. Accurate Structure Parameters for Tunneling Ionization Rates of Gas-Phase Linear Molecules

    NASA Astrophysics Data System (ADS)

    Zhao, Song-Feng; Li, Jian-Ke; Wang, Guo-Li; Li, Peng-Cheng; Zhou, Xiao-Xin

    2017-03-01

    In the molecular Ammosov–Delone–Krainov (MO-ADK) model of Tong et al. [Phys. Rev. A 66 (2002) 033402], the ionization rate depends on the structure parameters of the molecular orbital from which the electron is removed. We determine systematically and tabulate accurate structure parameters of the highest occupied molecular orbital (HOMO) for 123 gas-phase linear molecules by solving time-independent Schrödinger equation with B-spline functions and molecular potentials which are constructed numerically using the modified Leeuwen–Baerends (LBα) model. Supported by National Natural Science Foundation of China under Grant Nos. 11664035, 11674268, 11465016, 11364038, 11364039, the Specialized Research Fund for the Doctoral Program of Higher Education of China under Grant No. 20116203120001 and the Basic Scientific Research Foundation for Institution of Higher Learning of Gansu Province

  18. 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.

  19. 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

  20. Dissociation Chemistry of Gas Molecules on Carbon Nanotubes - Applications to Chemical Sensing.

    SciTech Connect

    Govind, Niri; Andzelm, Jan; Maiti, Amitesh

    2008-06-01

    It is well known in the literature that carbon nanotubes (CNTs) interact weakly with many gas molecules like H2O, CO, NH3, H2, NO2 and so on. Exposure to NO2, O2, and NH3 significantly affects the electrical conductance of a single wall nanotube (SWNT). These can be explained using a simple charge transfer picture, which results in the observed changes in the hole conduction of the tubes. It is also known that pure SWNTs only weakly interact with these molecules. We have recently investigated [AGM2006] how common defects in CNTs (Stone-Wales (SW), monovacancy, and interstitial) influence the chemisorption of NH3. This paper is a continuation of our previous work. Here we further investigate, via Density Functional Theory (DFT) calculations, the effects of Stone-Wales (SW) defects on the adsorption/dissociation of O2 and H2O. We also study the diffusion of adsorbed oxygen atoms on the nanotube surface in the vicinity of the SW defect as well as the dissociation of NH3 in the presence of adsorbed oxygen atoms.

  1. Detection of water molecules in inert gas based plasma by the ratios of atomic spectral lines

    NASA Astrophysics Data System (ADS)

    Bernatskiy, A. V.; Ochkin, V. N.

    2017-01-01

    A new approach is considered to detect the water leaks in inert plasma-forming gas present in the reactor chamber. It is made up of the intensity ratio of D α and H α spectral lines in combination with O, Ar and Xe lines intensity. The concentrations of H2O, O, H and D particles have been measured with high sensitivity. At the D2 admixture pressure {{p}{{\\text{D}\\text{2}}}}   =  0.025 mbar, we used the acquisition time of 10 s to measure the rate of water molecules injected from the outside, Γ0  =  1.4 · 10-9 mbar · m3 · s-1, and the incoming water molecules to plasma, Γ  =  5 ·10-11 mbar · m3 · s-1. The scaling proves that at small D2 admixtures (10-4 mbar), the leaks with the rates Γ0  ≈  6 · 10-12 mbar · m3 · s-1 and Γ  ≈  2 · 10-13 mbar · m3 · s-1 can be detected and measured. The difference between Γ0 and Γ values is due to the high degree of H2O dissociation, which can be up to 97-98%.

  2. Gas phase ion - molecule reactions studied by Fourier transform ion cyclotron resonance mass spectrometry

    SciTech Connect

    Ross, C.W. III.

    1993-01-01

    Intrinsic thermodynamic information of molecules can easily be determined in the low pressure FT/ICR mass spectrometer. The gas phase basicity of two carbenes were measured by isolating the protonated carbene ion and reacting it with neutral reference compounds by the bracketing method. A fundamentally new-dimensional FT/ICR/MS experiment, SWIM (stored waveform ion modulation) 2D-FT/ICR MS/MS, is described. Prior encodement of the second dimension by use of two identical excitation waveforms separated by a variable delay period is replaced by a new encodement in which each row of the two-dimensional data array is obtained by use of a single stored excitation waveform whose frequency-domain magnitude spectrum is a sinusoid whose frequency increases from one row to the next. In the two-dimensional mass spectrum, the conventional one-dimensional FT/ICR mass spectrum appears along the diagonal, and each off-diagonal peak corresponds to an ion-neutral reaction whose ionic components may be identified by horizontal and vertical projections to the diagonal spectrum. All ion-molecule reactions in a gaseous mixture may be identified from a single 2D-FT/ICR MS/MS experiment, without any prior knowledge of the system. In some endoergic reactions there is a minimum energy threshold that must overcome for a reaction to occur. Hence, a simple sinusoidal modulation of parent ion cyclotron radius leads to a clipped sinusoidal signal of the product ion abundance in the second dimension, which upon Fourier transformation produces signals with harmonic and combination ion cyclotron resonance frequencies. Moreover, ion-molecule reaction rates may vary directly within kinetic energy rather than cyclotron radius. With SWIM, it is possible to tailor the excitation profile so as to produce a sinusoidal modulation of ion kinetic energy as a function of cyclotron frequency.

  3. Complex Organic Molecules Formation in Space Through Gas Phase Reactions: A Theoretical Approach

    NASA Astrophysics Data System (ADS)

    Redondo, Pilar; Barrientos, Carmen; Largo, Antonio

    2017-02-01

    Chemistry in the interstellar medium (ISM) is capable of producing complex organic molecules (COMs) of great importance to astrobiology. Gas phase and grain surface chemistry almost certainly both contribute to COM formation. Amino acids as building blocks of proteins are some of the most interesting COMs. The simplest one, glycine, has been characterized in meteorites and comets and, its conclusive detection in the ISM seems to be highly plausible. In this work, we analyze the gas phase reaction of glycine and {{{CH}}5}+ to establish the role of this process in the formation of alanine or other COMs in the ISM. Formation of protonated α- and β-alanine in spite of being exothermic processes is not viable under interstellar conditions because the different paths leading to these isomers present net activation energies. Nevertheless, glycine can evolve to protonated 1-imide-2, 2-propanediol, protonated amino acetone, protonated hydroxyacetone, and protonated propionic acid. However, formation of acetic acid and protonated methylamine is also a favorable process and therefore will be a competitive channel with the evolution of glycine to COMs.

  4. Formation of novel rare-gas-containing molecules by molecular photodissociation in clusters.

    PubMed

    Cohen, A; Niv, M Y; Gerber, R B

    2001-01-01

    Recent work by Räsänen and coworkers showed that photolysis of hydrides in rare-gas matrices results in part in formation of novel, rare-gas-containing molecules. Thus, photolysis of HCl in Xe and of H2O in Xe result respectively in formation of HXeCl and HXeOH in the Xe matrices. Ab initio calculations show that the compounds HRgY so formed are stable in isolation, and that by the strength and nature of the bonding these are molecules, very different from the corresponding weakly bound clusters Rg...HY. This paper presents a study of the formation mechanism of HRgY following the photolysis of HY in clusters Rgn(HY). Calculations are described for HXeCl, as a representative example. Potential energy surfaces that govern the formation of HXeCl in the photolysis of HCl in xenon clusters are obtained, and the dynamics on these surfaces is analyzed, partly with insight from trajectories of molecular dynamics simulations. The potential surfaces are obtained by a new variant of the DIM (diatomics in molecules) and DIIS (diatomics in ionic systems) models. Non-adiabatic couplings are also obtained. The main results are: (1) Properties of HXeCl predicted by the DIM-DIIS model are in reasonable accord with results of ab initio calculations. (2) The potential along the isomerization path HXeCl-->Xe...HCl predicted by DIM is in semiquantitative accord with the ab initio results. (3) Surface-hopping molecular dynamics simulations of the process in clusters, with "on the fly" calculations of the DIM-DIIS potentials and non-adiabatic couplings are computationally feasible. (4) Formation of HXeCl, following photolysis of HCl in Xe54(HCl), requires cage-exit of the H atom as a precondition. The H atom and the Cl can then attack the same Xe atom on opposite sides, leading to charge transfer and production of the ionic HXeCl. (5) Non-adiabatic processes play an important role, both in the reagent configurations, and at the charge-transfer stage. The results open the way to

  5. 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…

  6. Definitive Ideal-Gas Thermochemical Functions of the H216O Molecule

    NASA Astrophysics Data System (ADS)

    Furtenbacher, Tibor; Szidarovszky, Tamás; Hrubý, Jan; Kyuberis, Aleksandra A.; Zobov, Nikolai F.; Polyansky, Oleg L.; Tennyson, Jonathan; Császár, Attila G.

    2016-12-01

    A much improved temperature-dependent ideal-gas internal partition function, Qint(T), of the H216O molecule is reported for temperatures between 0 and 6000 K. Determination of Qint(T) is principally based on the direct summation technique involving all accurate experimental energy levels known for H216O (almost 20 000 rovibrational energies including an almost complete list up to a relative energy of 7500 cm-1), augmented with a less accurate but complete list of first-principles computed rovibrational energy levels up to the first dissociation limit, about 41 000 cm-1 (the latter list includes close to one million bound rovibrational energy levels up to J = 69, where J is the rotational quantum number). Partition functions are developed for ortho- and para-H216O as well as for their equilibrium mixture. Unbound rovibrational states of H216O above the first dissociation limit are considered using an approximate model treatment. The effect of the excited electronic states on the thermochemical functions is neglected, as their contribution to the thermochemical functions is negligible even at the highest temperatures considered. Based on the high-accuracy Qint(T) and its first two moments, definitive results, in 1 K increments, are obtained for the following thermochemical functions: Gibbs energy, enthalpy, entropy, and isobaric heat capacity. Reliable uncertainties (approximately two standard deviations) are estimated as a function of temperature for each quantity determined. These uncertainties emphasize that the present results are the most accurate ideal-gas thermochemical functions ever produced for H216O. It is recommended that the new value determined for the standard molar enthalpy increment at 298.15 K, 9.904 04 ± 0.000 01 kJ mol-1, should replace the old CODATA datum, 9.905 ± 0.005 kJ mol-1.

  7. 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.

  8. 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.

  9. 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)

  10. Comparative investigation of pure and mixed rare gas atoms on coronene molecules.

    PubMed

    Rodríguez-Cantano, Rocío; Bartolomei, Massimiliano; Hernández, Marta I; Campos-Martínez, José; González-Lezana, Tomás; Villarreal, Pablo; Pérez de Tudela, Ricardo; Pirani, Fernando; Hernández-Rojas, Javier; Bretón, José

    2017-01-21

    Clusters formed by the combination of rare gas (RG) atoms of He, Ne, Ar, and Kr on coronene have been investigated by means of a basin-hopping algorithm and path integral Monte Carlo calculations at T = 2 K. Energies and geometries have been obtained and the role played by the specific RG-RG and RG-coronene interactions on the final results is analysed in detail. Signatures of diffuse behavior of the He atoms on the surface of the coronene are in contrast with the localization of the heavier species, Ar and Kr. The observed coexistence of various geometries for Ne suggests the motion of the RG atoms on the multi-well potential energy surface landscape offered by the coronene. Therefore, the investigation of different clusters enables a comparative analysis of localized versus non-localized features. Mixed Ar-He-coronene clusters have also been considered and the competition of the RG atoms to occupy the docking sites on the molecule is discussed. All the obtained information is crucial to assess the behavior of coronene, a prototypical polycyclic aromatic hydrocarbon clustering with RG atoms at a temperature close to that of interstellar medium, which arises from the critical balance of the interactions involved.

  11. Comparative investigation of pure and mixed rare gas atoms on coronene molecules

    NASA Astrophysics Data System (ADS)

    Rodríguez-Cantano, Rocío; Bartolomei, Massimiliano; Hernández, Marta I.; Campos-Martínez, José; González-Lezana, Tomás; Villarreal, Pablo; Pérez de Tudela, Ricardo; Pirani, Fernando; Hernández-Rojas, Javier; Bretón, José

    2017-01-01

    Clusters formed by the combination of rare gas (RG) atoms of He, Ne, Ar, and Kr on coronene have been investigated by means of a basin-hopping algorithm and path integral Monte Carlo calculations at T = 2 K. Energies and geometries have been obtained and the role played by the specific RG-RG and RG-coronene interactions on the final results is analysed in detail. Signatures of diffuse behavior of the He atoms on the surface of the coronene are in contrast with the localization of the heavier species, Ar and Kr. The observed coexistence of various geometries for Ne suggests the motion of the RG atoms on the multi-well potential energy surface landscape offered by the coronene. Therefore, the investigation of different clusters enables a comparative analysis of localized versus non-localized features. Mixed Ar-He-coronene clusters have also been considered and the competition of the RG atoms to occupy the docking sites on the molecule is discussed. All the obtained information is crucial to assess the behavior of coronene, a prototypical polycyclic aromatic hydrocarbon clustering with RG atoms at a temperature close to that of interstellar medium, which arises from the critical balance of the interactions involved.

  12. C-C stretching Raman spectra and stabilities of hydrocarbon molecules in natural gas hydrates: a quantum chemical study.

    PubMed

    Liu, Yuan; Ojamäe, Lars

    2014-12-11

    The presence of specific hydrocarbon gas molecules in various types of water cavities in natural gas hydrates (NGHs) are governed by the relative stabilities of these encapsulated guest molecule-water cavity combinations. Using molecular quantum chemical dispersion-corrected hybrid density functional computations, the interaction (ΔE(host--guest)) and cohesive energies (ΔE(coh)), enthalpies, and Gibbs free energies for the complexes of host water cages and hydrocarbon guest molecules are calculated at the ωB97X-D/6-311++G(2d,2p) level of theory. The zero-point energy effect of ΔE(host-guest) and ΔE(coh) is found to be quite substantial. The energetically optimal host-guest combinations for seven hydrocarbon gas molecules (CH4, C2H6, C3H6, C3H8, C4H8, i-C4H10, and n-C4H10) and various water cavities (D, ID, T, P, H, and I) in NGHs are found to be CH4@D, C2H6@T, C3H6@T, C3H8@T, C4H8@T/P/H, i-C4H10@H, and n-C4H10@H, as the largest cohesive energy magnitudes will be obtained with these host-guest combinations. The stabilities of various water cavities enclosing hydrocarbon molecules are evaluated from the computed cohesive Gibbs free energies: CH4 prefers to be trapped in a ID cage; C2H6 prefer T cages; C3H6 and C3H8 prefer T and H cages; C4H8 and i-C4H10 prefer H cages; and n-C4H10 prefer I cages. The vibrational frequencies and Raman intensities of the C-C stretching vibrational modes for these seven hydrocarbon molecules enclosed in each water cavity are computed. A blue shift results after the guest molecule is trapped from gas phase into various water cages due to the host-guest interactions between the water cage and hydrocarbon molecule. The frequency shifts to the red as the radius of water cages increases. The model calculations support the view that C-C stretching vibrations of hydrocarbon molecules in the water cavities can be used as a tool to identify the types of crystal phases and guest molecules in NGHs.

  13. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-10-01

    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.

  15. Collision lifetimes of polyatomic molecules at low temperatures: benzene-benzene vs benzene-rare gas atom collisions.

    PubMed

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

    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.

  16. 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.

  17. Studies in Binocular Accommodation.

    NASA Astrophysics Data System (ADS)

    Winn, Barry

    1987-09-01

    Available from UMI in association with The British Library. Requires signed TDF. A study of the binocular accommodation response is presented for normal and amblyopic observers to selected stimulus conditions using a binocular infra-red optometer and a commercially-available autorefractor. The work reviews the neural control of the near triad and discusses the historical development of models of mutual interaction between accommodation and convergence, presenting experimental evidence to support or refute each proposition. The basic characteristics of the accommodation response are reviewed along with the influencing factors. A central feature of this work is the evaluation of the correlation present between the eyes for both step -wise changes in target vergence and steady-state viewing. Reaction times for visually normal subjects were found to be similar to those found by previous workers and were independent of both size and direction of the step change. Response times for a mean step size of approximately 2.5D exhibited a marked degree of intersubject variability, particularly for the decreasing response and were step -size dependent. Eye dominancy was not found to be a significant factor in the overall response time. The binocular accommodation responses were found to have a high level of correlation to step-wise changes in target vergence. Assessment of the microfluctuations was necessary. A high degree of correlation between amblyopic eyes and their fellow normal eyes is reported for both reaction and response times. Steady-state viewing shows the microfluctuations to have a high level of coherence. As target luminance decreased, rms values and low frequency drifts increased. Amblyopic eyes show an increase in the magnitude of the low frequency components of the microfluctuations for moderate to high stimulus vergences. The presence of different behaviour to that observed in normals supports a role for the microfluctuations. The response of amblyopic eyes to

  18. 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.

  19. Photodissociation of HBr molecules in clusters: from rare gas clusters to water nanoparticles

    NASA Astrophysics Data System (ADS)

    Fárník, M.; Buck, Udo

    2007-09-01

    Experiments on the photodissociation of molecules in different cluster environments are described and illustrated based on the example of HBr molecules photolysed at 193 nm in various clusters. The photolysis of HBr molecules incorporated in the hydrogen bonded network of (HBr)n clusters exhibits pronounced direct exits of the H-fragments. On the other hand, the H-fragments from HBr molecules bound by much weaker van der Waals forces at the surface of large Arn clusters are trapped efficiently by the cluster cage. These observations are mainly explained by the geometry of the molecule bound to the cluster. The HBr molecules deposited on the large (H2O)n clusters behave quite differently. They undergo acid dissociation and the resulting zwitterionic form is excited by the radiation giving rise to the generation of the hydronium H3O molecule and its subsequent dissociation.

  20. Molecular orbital studies of gas-phase interactions between complex molecules.

    PubMed

    Gaudreault, Roger; Whitehead, M A; van de Ven, Theo G M

    2006-03-16

    Describing interactions among large molecules theoretically is a challenging task. As an example, we investigated gas-phase interactions between a linear nonionic oligomer and various model compounds (cofactors), which have been reported to associate experimentally, using PM3 semiempirical molecular orbital theory. As oligomer, we studied the hexamer of poly(ethylene oxide) (PEO), and as cofactors, we studied corilagin and related compounds containing phenolic groups (R-OH). These systems are of interest because they are models for PEO/cofactor flocculation systems, used in industrial applications. The PM3 delocalized molecular orbitals (DLMO) describe the bonding between (PEO)6 and cofactors, and some of them cover the complete complex. The DLMOs which cover the traditionally considered hydrogen bonds R-OH...O or R-CH...O show a distinct "pinch", a decrease of the electron density, between the H...O atoms. Calculations of Gibbs free energy, entropy, and enthalpy show that the PEO/cofactor complexes do not form at room temperature, because the loss of entropy exceeds the increase in enthalpy. The change in enthalpy is linearly related to the change in entropy for the different complexes. Even though bond lengths, bond angles, DLMOs, and electron densities for the PEO/cofactor complexes are consistent with the definition of hydrogen bonds, the number of intermolecular R-OH...O and R-CH...O bonds does not correlate with the enthalpy of association, indicating that the bonding mechanism for these systems is the sum of many small contributions of many delocalized orbitals.

  1. Ab initio potential energy surface for the carbon dioxide molecule pair and thermophysical properties of dilute carbon dioxide gas

    NASA Astrophysics Data System (ADS)

    Hellmann, Robert

    2014-10-01

    A four-dimensional intermolecular potential energy surface (PES) for two rigid carbon dioxide molecules was determined from quantum-chemical ab initio calculations. Interaction energies for 1229 CO2-CO2 configurations were computed at the CCSD(T) level of theory using basis sets up to aug-cc-pVQZ supplemented with bond functions. An analytical site-site potential function with seven sites per CO2 molecule was fitted to the interaction energies. The PES was validated by calculating the second virial coefficient as well as viscosity and thermal conductivity in the dilute-gas limit.

  2. Thermodynamic properties of water in the lattice gas model with consideration of the vibrational motions of molecules

    NASA Astrophysics Data System (ADS)

    Titov, S. V.; Tovbin, Yu. K.

    2016-11-01

    A molecular model developed earlier for a polar fluid within the lattice gas model is supplemented by considering the vibrational motions of molecules using water as an example. A combination of point dipole and Lennard-Jones potentials from SPC parametrization is chosen as the force field model for the molecule. The main thermodynamic properties of liquid water (density, internal energy, and entropy) are studied as functions of temperature. There is qualitative agreement between the calculation results and the experimental data. Ways of refining the molecular theory are discussed.

  3. 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.

  4. 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.

  5. [Spasm of accommodation].

    PubMed

    Lindberg, Laura

    2014-01-01

    Spasm of accommodation refers to prolonged contraction of the ciliary muscle, most commonly causing pseudomyopia to varying degrees in both eyes by keeping the lens in a state of short sightedness. It may also be manifested as inability to allow the adaptation spasticity prevailing in the ciliary muscle relax without measurable myopia. As a rule, this is a functional ailment triggered by prolonged near work and stress. The most common symptoms include blurring of distance vision, varying visual acuity as well as pains in the orbital region and the head, progressing into a chronic state. Cycloplegic eye drops are used as the treatment.

  6. 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.

  7. 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

  8. 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.

  9. 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

  10. 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.

  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. Investigating the nature of noble gas-copper bonds by the quantum theory of atoms in molecules.

    PubMed

    Rodrigues, Eduardo F F; de Sá, Eduardo L; Haiduke, Roberto L A

    2010-04-22

    We investigated noble gas-copper bonds in linear complexes represented by the NgCuX general formula in which Ng and X stand for a noble gas (neon, argon, krypton, or xenon) and a halogen (fluorine, chlorine or bromine), respectively, by coupled cluster methods and modified cc-pVQZ basis sets. The quantum theory of atoms in molecules (QTAIM) shows a linear relation between the dissociation energy of noble gas-copper bonds and the amount of electronic charge transferred mainly from the noble gas to copper during complexation. Large changes in the QTAIM quadrupole moments of copper and noble gases resulting from this bonding and a comparison between NgCuX and NgNaCl systems indicate that these noble gas-copper bonds should be better interpreted as predominantly covalent. Finally, QTAIM atomic dipoles of noble gases in NgNaCl systems agree satisfactorily with atomic dipoles given by a simple model for these NgNa van der Waals bonds.

  13. Characterization of a DAPI-RIT-DAPI system for gas-phase ion/molecule and ion/ion reactions.

    PubMed

    Lin, Ziqing; Tan, Lei; Garimella, Sandilya; Li, Linfan; Chen, Tsung-Chi; Xu, Wei; Xia, Yu; Ouyang, Zheng

    2014-01-01

    The discontinuous atmospheric pressure interface (DAPI) has been developed as a facile means for efficiently introducing ions generated at atmospheric pressure to an ion trap in vacuum [e.g., a rectilinear ion trap (RIT)] for mass analysis. Introduction of multiple beams of ions or neutral species through two DAPIs into a single RIT has been previously demonstrated. In this study, a home-built instrument with a DAPI-RIT-DAPI configuration has been characterized for the study of gas-phase ion/molecule and ion/ion reactions. The reaction species, including ions or neutrals, can be introduced from both ends of the RIT through the two DAPIs without complicated ion optics or differential pumping stages. The primary reactant ions were isolated prior to reaction and the product ions were mass analyzed after controlled reaction time period. Ion/molecule reactions involving peptide radical ions and proton-transfer ion/ion reactions have been carried out using this instrument. The gas dynamic effect due to the DAPI operation on internal energy deposition and the reactivity of peptide radical ions has been characterized. The DAPI-RIT-DAPI system also has a unique feature for allowing the ion reactions to be carried out at significantly elevated pressures (in 10(-1) Torr range), which has been found to be helpful to speed up the reactions. The viability and flexibility of the DAPI-RIT-DAPI system for the study of gas-phase ion reactions have been demonstrated.

  14. Characterization of a DAPI-RIT-DAPI System for Gas-Phase Ion/Molecule and Ion/Ion Reactions

    NASA Astrophysics Data System (ADS)

    Lin, Ziqing; Tan, Lei; Garimella, Sandilya; Li, Linfan; Chen, Tsung-Chi; Xu, Wei; Xia, Yu; Ouyang, Zheng

    2014-01-01

    The discontinuous atmospheric pressure interface (DAPI) has been developed as a facile means for efficiently introducing ions generated at atmospheric pressure to an ion trap in vacuum [e.g., a rectilinear ion trap (RIT)] for mass analysis. Introduction of multiple beams of ions or neutral species through two DAPIs into a single RIT has been previously demonstrated. In this study, a home-built instrument with a DAPI-RIT-DAPI configuration has been characterized for the study of gas-phase ion/molecule and ion/ion reactions. The reaction species, including ions or neutrals, can be introduced from both ends of the RIT through the two DAPIs without complicated ion optics or differential pumping stages. The primary reactant ions were isolated prior to reaction and the product ions were mass analyzed after controlled reaction time period. Ion/molecule reactions involving peptide radical ions and proton-transfer ion/ion reactions have been carried out using this instrument. The gas dynamic effect due to the DAPI operation on internal energy deposition and the reactivity of peptide radical ions has been characterized. The DAPI-RIT-DAPI system also has a unique feature for allowing the ion reactions to be carried out at significantly elevated pressures (in 10-1 Torr range), which has been found to be helpful to speed up the reactions. The viability and flexibility of the DAPI-RIT-DAPI system for the study of gas-phase ion reactions have been demonstrated.

  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. An investigation of the interaction of intense laser radiation with molecules of sulfur hexafluoride through the buffer gas technique

    NASA Astrophysics Data System (ADS)

    Eletskii, A. V.; Klimov, V. D.; Udalova, T. A.

    1981-02-01

    Measurements of the coefficient of the absorption of intense (approximately 10 to the 7th W/sq cm) radiation from a CO2 laser by SF6 molecules in the presence of noble gases and at pressures up to 40 bars are presented. The dependence of the coefficient of absorption on the pressure and type of buffer gas, as well as on the wavelength and intensity of the incident radiation, makes it possible to follow the formation of the vibrational state distribution function of the molecules. The character of the distribution function depends on the competition between vibrational relaxation processes and laser radiation absorption. At high pressures, that is, at helium pressures greater than approximately 20-40 bars, a two-level scheme for the interaction of intense laser radiation with SF6 is implemented experimentally for the first time. Here, molecules excited by light to the v = 1 state relax instantaneously upon collision. The dependence of the rate constant for the destruction of SF6 molecular states on the number of the vibrational level v upon collision with helium atoms can be evaluated from the experimental data. Taken as a whole, the data confirm the assumption of the linear, single-photon nature of the interaction of laser radiation with SF6 molecules.

  17. 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.

  18. 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.

  19. 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.

  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. 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

  2. Multispectral actinometry of water and water-derivative molecules in moist, inert gas discharge plasmas

    NASA Astrophysics Data System (ADS)

    Bernatskiy, A. V.; Ochkin, V. N.; Kochetov, I. V.

    2016-10-01

    A new version of optical actinometry (OA) is used to determine the concentrations of water molecules and their fragments in hollow cathode discharge plasma in moist inert gases. Use is made of two actinometer particles, namely, the atoms Xe and Ar, for concurrent measurements of the concentrations of the H2O molecule and its fragments O, H, and OH. A self-consistent method is suggested for the determination of particle concentrations with due regard for the quenching of the emitting states. The temporal behavior of particles during discharge glow is studied. Noted are fast variations (lasting from a few to a few tens of s) in the concentrations of all the particles, followed by their stabilization (within a few to a few tens of mins). The scheme of the processes responsible for the observed dynamics of the plasma composition is discussed.

  3. Radiation and Laser Potential of Homo and Heteronuclear Rare-Gas Diatomic Molecules.

    DTIC Science & Technology

    1982-12-01

    SUPPLEMENTARY NOTES " .. . . , 19 KEy WOODS (Continue on reverse side if necessary and identify by block number) Ll Vacuum Ultraviolet Spectroscopy Rare-Gas...absorption we used the same "C. H. Chen, P. E. Siska, and Y. T. Lee, J. Chem. Phys. terminology. See G. Herzberg, Spectrs of Diatomi Mole- 5, 601

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

    DOE PAGES

    Kierspel, Thomas; Wiese, Joss; Mullins, Terry; ...

    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

  5. 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.

  6. Beams of fast neutral atoms and molecules in low-pressure gas-discharge plasma

    SciTech Connect

    Metel, A. S.

    2012-03-15

    Fast neutral atom and molecule beams have been studied, the beams being produced in a vacuum chamber at nitrogen, argon, or helium pressure of 0.1-10 Pa due to charge-exchange collisions of ions accelerated in the sheath between the glow discharge plasma and a negative grid immersed therein. From a flat grid, two broad beams of molecules with continuous distribution of their energy from zero up to e(U + U{sub c}) (where U is voltage between the grid and the vacuum chamber and U{sub c} is cathode fall of the discharge) are propagating in opposite directions. The beam propagating from the concave surface of a 0.2-m-diameter grid is focused within a 10-mm-diameter spot on the target surface. When a 0.2-m-diameter 0.2-m-high cylindrical grid covered by end disks and composed of parallel 1.5-mm-diameter knitting needles spaced by 4.5 mm is immersed in the plasma, the accelerated ions pass through the gaps between the needles, turn inside the grid into fast atoms or molecules, and escape from the grid through the gaps on its opposite side. The Doppler shift of spectral lines allows for measuring the fast atom energy, which corresponds to the potential difference between the plasma inside the chamber and the plasma produced as a result of charge-exchange collisions inside the cylindrical grid.

  7. 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.

  8. Quantum Engineering of a Low-Entropy Gas of Heteronuclear Bosonic Molecules in an Optical Lattice

    NASA Astrophysics Data System (ADS)

    Reichsöllner, Lukas; Schindewolf, Andreas; Takekoshi, Tetsu; Grimm, Rudolf; Nägerl, Hanns-Christoph

    2017-02-01

    We demonstrate a generally applicable technique for mixing two-species quantum degenerate bosonic samples in the presence of an optical lattice, and we employ it to produce low-entropy samples of ultracold Rb 87 Cs 133 Feshbach molecules with a lattice filling fraction exceeding 30%. Starting from two spatially separated Bose-Einstein condensates of Rb and Cs atoms, Rb-Cs atom pairs are efficiently produced by using the superfluid-to-Mott insulator quantum phase transition twice, first for the Cs sample, then for the Rb sample, after nulling the Rb-Cs interaction at a Feshbach resonance's zero crossing. We form molecules out of atom pairs and characterize the mixing process in terms of sample overlap and mixing speed. The dense and ultracold sample of more than 5000 RbCs molecules is an ideal starting point for experiments in the context of quantum many-body physics with long-range dipolar interactions.

  9. Photophysics of sunscreen molecules in the gas phase: a stepwise approach towards understanding and developing next-generation sunscreens

    PubMed Central

    Rodrigues, Natércia D. N.; Staniforth, Michael

    2016-01-01

    The relationship between exposure to ultraviolet (UV) radiation and skin cancer urges the need for extra photoprotection, which is presently provided by widespread commercially available sunscreen lotions. Apart from having a large absorption cross section in the UVA and UVB regions of the electromagnetic spectrum, the chemical absorbers in these photoprotective products should also be able to dissipate the excess energy in a safe way, i.e. without releasing photoproducts or inducing any further, harmful, photochemistry. While sunscreens are tested for both their photoprotective capability and dermatological compatibility, phenomena occurring at the molecular level upon absorption of UV radiation are largely overlooked. To date, there is only a limited amount of information regarding the photochemistry and photophysics of these sunscreen molecules. However, a thorough understanding of the intrinsic mechanisms by which popular sunscreen molecular constituents dissipate excess energy has the potential to aid in the design of more efficient, safer sunscreens. In this review, we explore the potential of using gas-phase frequency- and time-resolved spectroscopies in an effort to better understand the photoinduced excited-state dynamics, or photodynamics, of sunscreen molecules. Complementary computational studies are also briefly discussed. Finally, the future outlook of expanding these gas-phase studies into the solution phase is considered. PMID:27956888

  10. Photophysics of sunscreen molecules in the gas phase: a stepwise approach towards understanding and developing next-generation sunscreens

    NASA Astrophysics Data System (ADS)

    Rodrigues, Natércia D. N.; Staniforth, Michael; Stavros, Vasilios G.

    2016-11-01

    The relationship between exposure to ultraviolet (UV) radiation and skin cancer urges the need for extra photoprotection, which is presently provided by widespread commercially available sunscreen lotions. Apart from having a large absorption cross section in the UVA and UVB regions of the electromagnetic spectrum, the chemical absorbers in these photoprotective products should also be able to dissipate the excess energy in a safe way, i.e. without releasing photoproducts or inducing any further, harmful, photochemistry. While sunscreens are tested for both their photoprotective capability and dermatological compatibility, phenomena occurring at the molecular level upon absorption of UV radiation are largely overlooked. To date, there is only a limited amount of information regarding the photochemistry and photophysics of these sunscreen molecules. However, a thorough understanding of the intrinsic mechanisms by which popular sunscreen molecular constituents dissipate excess energy has the potential to aid in the design of more efficient, safer sunscreens. In this review, we explore the potential of using gas-phase frequency- and time-resolved spectroscopies in an effort to better understand the photoinduced excited-state dynamics, or photodynamics, of sunscreen molecules. Complementary computational studies are also briefly discussed. Finally, the future outlook of expanding these gas-phase studies into the solution phase is considered.

  11. Neutralization of solvated protons and formation of noble-gas hydride molecules: Matrix-isolation indications of tunneling mechanisms?

    SciTech Connect

    Khriachtchev, Leonid; Lignell, Antti; Raesaenen, Markku

    2005-08-08

    The (NgHNg){sup +} cations (Ng=Ar and Kr) produced via the photolysis of HF/Ar, HF/Kr, and HBr/Kr solid mixtures are studied, with emphasis on their decay mechanisms. The present experiments provide a large variety of parameters connected to this decay phenomenon, which allows us to reconsider various models for the decay of the (NgHNg){sup +} cations in noble-gas matrices. As a result, we propose that this phenomenon could be explained by the neutralization of the solvated protons by electrons. The mechanism of this neutralization reaction probably involves tunneling of an electron from an electronegative fragment or another trap to the (NgHNg){sup +} cation. The proposed electron-tunneling mechanism should be considered as a possible alternative to the literature models based on tunneling-assisted or radiation-induced diffusion of protons in noble-gas solids. As a novel experimental observation of this work, the efficient formation of HArF molecules occurs at 8 K in a photolyzed HF/Ar matrix. It is probable that the low-temperature formation of HArF involves local tunneling of the H atom to the Ar-F center, which in turn supports the locality of HF photolysis in solid Ar. In this model, the decay of (ArHAr){sup +} ions and the formation of HArF molecules observed at low temperatures are generally unconnected processes; however, the decaying (ArHAr){sup +} ions may contribute to some extent to the formation of HArF molecules.

  12. Gas phase chemical kinetics at high temperature of carbonaceous molecules: application to circumstellar envelopes

    NASA Astrophysics Data System (ADS)

    Biennier, L.; Gardez, A.; Saidani, G.; Georges, R.; Rowe, B.; Reddy, K. P. J.

    2011-05-01

    Circumstellar shells of evolved stars are a theater of extremely rich physical and chemical processes. More than seventy molecules of varied nature have been identified in the envelopes through their spectral fingerprints in the microwave or far infrared regions. Many of them are carbon chain molecules and radicals and a significant number are unique to the circumstellar medium. However, observational data remain scarce and more than half of the detected species have been observed in only one object, the nearby carbon star IRC + 10216. Chemical kinetic models are needed to describe the formation of molecules in evolved circumstellar outflows. Upcoming terrestrial telescopes such as ALMA will increase the spatial resolution by several orders of magnitude and provide a wealth of data. The determination of relevant laboratory kinetics data is critical to keep up with the development of the observations and of the refinement of chemical models. Today, the majority of reactions studied in the laboratory are the ones involved in combustion and concerning light hydrocarbons. Our objective is to provide the scientific community with rate coefficients of reactions between abundant species in these warm environments. Cyanopolyynes from HC_2N to HC_9N have all been detected in carbon rich circumstellar envelopes in up to 10 sources for HC_3N. Neutral-neutral reactions of the CN radical with unsaturated hydrocarbons could be a dominant route in the formation of cyanopolyynes, even at low temperatures. Our approach aims to bridge the temperature gap between resistively heated flow tubes and shock tubes. The present kinetic measurements are obtained using a new reactor combining a high enthalpy source (Moudens et al. 2011) with a flow tube and a pulsed laser photolysis and laser induced fluorescence system to probe the undergoing chemical reactions. The high enthalpy flow tube has been used to measure the rate constant of the reaction of the CN radical with propane, propene

  13. 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.

  14. 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.

  15. Gas Separation Membranes Derived from High-Performance Immiscible Polymer Blends Compatibilized with Small Molecules.

    PubMed

    Panapitiya, Nimanka P; Wijenayake, Sumudu N; Nguyen, Do D; Huang, Yu; Musselman, Inga H; Balkus, Kenneth J; Ferraris, John P

    2015-08-26

    An immiscible polymer blend comprised of high-performance copolyimide 6FDA-DAM:DABA(3:2) (6FDD) and polybenzimidazole (PBI) was compatibilized using 2-methylimidazole (2-MI), a commercially available small molecule. Membranes were fabricated from blends of 6FDD:PBI (50:50) with and without 2-MI for H2/CO2 separations. The membranes demonstrated a matrix-droplet type microstructure as evident with scanning electron microscopy (SEM) imaging where 6FDD is the dispersed phase and PBI is the continuous phase. In addition, membranes with 2-MI demonstrated a uniform microstructure as observed by smaller and more uniformly dispersed 6FDD domains in contrast to 6FDD:PBI (50:50) blend membranes without 2-MI. This compatibilization effect of 2-MI was attributed to interfacial localization of 2-MI that lowers the interfacial energy similar to a surfactant. Upon the incorporation of 2-MI, the H2/CO2 selectivity improved remarkably, compared to the pure blend, and surpassed the Robeson's upper bound. To our knowledge, this is the first report of the use of a small molecule to compatibilize a high-performance immiscible polymer blend. This approach could afford a novel class of membranes in which immiscible polymer blends can be compatibilized in an economical and convenient fashion.

  16. 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.

  17. 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.

  18. Interactions of molecules with HCl in the gas and matrix phases

    NASA Astrophysics Data System (ADS)

    George, W. O.; Lewis, Rh.; Hussain, G.; Rees, G. J.

    1988-10-01

    The FT-IR spectra of mixtures of HCl and the following compounds have been recorded in the gaseous and matrix isolated phases: argon, ethene, ethyne, d 6-benzene, fluorobenzene, CO, CO 2, SO 2, CCl 4, CHCl 3, d 6-acetone, ethanal, HCN, acrylonitrile. The features which are measured are: firstly the changes in the integrated intensity of lines in the rotation—vibration spectrum of the fundamental HCl band as a function of non-specific interactions with other components of the mixture and secondly bands associated with specific interactions forming hydrogen bonded complexes in the gas and matrix isolated phases. The relationship between the two kinds of interactions is discussed.

  19. Gas-phase Reactions of Polycyclic Aromatic Hydrocarbon Anions with Molecules of Interstellar Relevance

    NASA Astrophysics Data System (ADS)

    Demarais, Nicholas J.; Yang, Zhibo; Martinez, Oscar; Wehres, Nadine; Snow, Theodore P.; Bierbaum, Veronica M.

    2012-02-01

    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 (C6H- 5), naphthalenide (C10H- 7), and anthracenide (C14H- 9) with atomic H, H2, and D2 using a flowing afterglow-selected ion flow tube instrument. Reaction rate constants of phenide with neutral molecules (CO, O2, CO2, N2O, C2H2, CH3OH, CH3CN, (CH3)2CO, CH3CHO, CH3Cl, and (CH3CH2)2O) 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.

  20. Molecular structure and the EPR calculation of the gas phase succinonitrile molecule

    NASA Astrophysics Data System (ADS)

    Kepceoǧlu, A.; Kılıç, H. Ş.; Dereli, Ö.

    2017-02-01

    Succinonitrile (i.e. butanedinitrile) is a colorless nitrile compound that can be used in the gel polymer batteries as a solid-state solvent electrolytes and has a plastic crystal structure. Prior to the molecular structure calculation of the succinonitrile molecule, the conformer analysis were calculated by using semi empirical method PM3 core type Hamiltonian and eight different conformer structures were determined. Molecular structure with energy related properties of these conformers having the lowest energy was calculated by using DFT (B3LYP) methods with 6-311++G(d,p) basis set. Possible radicals, can be formed experimentally, were modeled in this study. EPR parameters of these model radicals were calculated and then compared with that obtained experimentally.

  1. Far-infrared permanent and induced dipole absorption of diatomic molecules in rare-gas fluids. I. Spectral theory

    NASA Astrophysics Data System (ADS)

    Roco, J. M. M.; Hernández, A. Calvo; Velasco, S.

    1995-12-01

    We present a spectral theory for the far-infrared absorption spectrum of a very diluted solution of diatomic molecules in a rare-gas fluid, that includes permanent and induced contributions. The absorption coefficient is given as the convolution of a translational spectrum and a rotational spectrum. The former is described in terms of time correlation functions associated to the induced dipole moment. The latter is discussed on the basis of a model consisting of a quantum rigid rotor interacting with a thermal bath, making use of time correlation functions associated to the different anisotropic orders of the solute-solvent intermolecular potential. Non-Markovian and line mixing effects are taken into account. Explicit expressions for the five leading contributions of the induced dipole moment are given.

  2. 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.

  3. 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.

  4. Use of inverse gas chromatography to characterize cotton fabrics and their interactions with fragrance molecules at controlled relative humidity.

    PubMed

    Cantergiani, Ennio; Benczédi, Daniel

    2002-09-06

    The present work focused on the surface characterization and fragrance interactions of a common cotton towel at different relative humidities (RHs) using inverse gas chromatography (IGC) and dynamic vapour sorption. The sigmoidal water sorption isotherms showed a maximum of 16% (w/w) water uptake with limited swelling at 100% RH. This means that water interacts strongly with cotton and might change its initial physico-chemical properties. The same cotton towel was then packed in a glass column and characterized by IGC at different relative humidities, calculating the dispersive and specific surface energy components. The dispersive component of the surface energy decreases slightly as a function of relative humidity (42 mJ/m2 at 0% RH to 36 mJ/m2 at 80% RH) which would be expected from swelling of the humidified cotton. The Gutmann's donor constant Kd increased from 0.28 kJ/mol at 0% RH to 0.42 kJ/mol at 80% RH, indicating that a greater hydrophilic surface exists at 80% RH, which is also as expected. Water, undecane and four fragrance molecules (dimetol, benzyl acetate, decanal and phenylethanol) were used to investigate cotton-fragrance interactions between 0 and 80% RH. The adsorption enthalpies and the Henry's constants were calculated and are discussed. The higher values for the adsorption enthalpies of polar molecules such as dimetol and phenylethanol suggest the presence of hydrogen bonds as the main adsorption mechanism. The Henry's constant of dimetol was also determined by headspace gas chromatography measurements at 20% RH, giving a similar value (230 nmol/Pa g by IGC and 130 nmol/Pa g by headspace GC), supporting the usefulness of IGC for such determinations. This work confirms the usefulness of chromatographic methods to investigate biopolymers such as textiles, starches and hairs.

  5. 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

    2015-08-07

    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.

  6. 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.

  7. Absorption into fluorescence. A method to sense biologically relevant gas molecules

    NASA Astrophysics Data System (ADS)

    Strianese, Maria; Varriale, Antonio; Staiano, Maria; Pellecchia, Claudio; D'Auria, Sabato

    2011-01-01

    In this work we present an innovative optical sensing methodology based on the use of biomolecules as molecular gating nano-systems. Here, as an example, we report on the detection ofanalytes related to climate change. In particular, we focused our attention on the detection ofnitric oxide (NO) and oxygen (O2). Our methodology builds on the possibility of modulating the excitation intensity of a fluorescent probe used as a transducer and a sensor molecule whose absorption is strongly affected by the binding of an analyte of interest used as a filter. The two simple conditions that have to be fulfilled for the method to work are: (a) the absorption spectrum of the sensor placed inside the cuvette, and acting as the recognition element for the analyte of interest, should strongly change upon the binding of the analyte and (b) the fluorescence dye transducer should exhibit an excitation band which overlaps with one or more absorption bands of the sensor. The absorption band of the sensor affected by the binding of the specific analyte should overlap with the excitation band of the transducer. The high sensitivity of fluorescence detection combined with the use of proteins as highly selective sensors makes this method a powerful basis for the development of a new generation of analytical assays. Proof-of-principle results showing that cytochrome c peroxidase (CcP) for NO detection and myoglobin (Mb) for O2 detection can be successfully used by exploiting our new methodology are reported. The proposed technology can be easily expanded to the determination of different target analytes.

  8. Absorption into fluorescence. A method to sense biologically relevant gas molecules.

    PubMed

    Strianese, Maria; Varriale, Antonio; Staiano, Maria; Pellecchia, Claudio; D'Auria, Sabato

    2011-01-01

    In this work we present an innovative optical sensing methodology based on the use of biomolecules as molecular gating nano-systems. Here, as an example, we report on the detection of analytes related to climate change. In particular, we focused our attention on the detection of nitric oxide (NO) and oxygen (O2). Our methodology builds on the possibility of modulating the excitation intensity of a fluorescent probe used as a transducer and a sensor molecule whose absorption is strongly affected by the binding of an analyte of interest used as a filter. The two simple conditions that have to be fulfilled for the method to work are: (a) the absorption spectrum of the sensor placed inside the cuvette, and acting as the recognition element for the analyte of interest, should strongly change upon the binding of the analyte and (b) the fluorescence dye transducer should exhibit an excitation band which overlaps with one or more absorption bands of the sensor. The absorption band of the sensor affected by the binding of the specific analyte should overlap with the excitation band of the transducer. The high sensitivity of fluorescence detection combined with the use of proteins as highly selective sensors makes this method a powerful basis for the development of a new generation of analytical assays. Proof-of-principle results showing that cytochrome c peroxidase (CcP) for NO detection and myoglobin (Mb) for O2 detection can be successfully used by exploiting our new methodology are reported. The proposed technology can be easily expanded to the determination of different target analytes.

  9. 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

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

    PubMed

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

    2015-12-04

    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.

  11. 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.

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

    DOE PAGES

    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

  13. 43 CFR 17.211 - Reasonable accommodation.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... Reasonable accommodation. (a) A recipient shall make reasonable accommodation to the known physical or mental... that the accommodation would impose an undue hardship on the operation of its program or activity. (b... accommodation would impose an undue hardship on the operation of a recipient's program or activity, factors...

  14. 24 CFR 100.204 - Reasonable accommodations.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 24 Housing and Urban Development 1 2011-04-01 2011-04-01 false Reasonable accommodations. 100.204... Handicap § 100.204 Reasonable accommodations. (a) It shall be unlawful for any person to refuse to make reasonable accommodations in rules, policies, practices, or services, when such accommodations may...

  15. 24 CFR 100.204 - Reasonable accommodations.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 24 Housing and Urban Development 1 2010-04-01 2010-04-01 false Reasonable accommodations. 100.204... Handicap § 100.204 Reasonable accommodations. (a) It shall be unlawful for any person to refuse to make reasonable accommodations in rules, policies, practices, or services, when such accommodations may...

  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. 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…

  18. Effects of London dispersion correction in density functional theory on the structures of organic molecules in the gas phase.

    PubMed

    Grimme, Stefan; Steinmetz, Marc

    2013-10-14

    A benchmark set of 25 rotational constants measured in the gas phase for nine molecules (termed ROT25) was compiled from available experimental data. The medium-sized molecules with 18-35 atoms cover common (bio)organic structure motifs including hydrogen bonding and flexible side chains. They were each considered in a single conformation. The experimental B0 values were back-corrected to reference equilibrium rotational constants (Be) by computation of the vibrational corrections ΔBvib. Various density functional theory (DFT) methods and Hartree-Fock with and without dispersion corrections as well as MP2 type methods and semi-empirical quantum chemical approaches are investigated. The ROT25 benchmark tests their ability to describe covalent bond lengths, longer inter-atomic distances, and the relative orientation of functional groups (intramolecular non-covalent interactions). In general, dispersion corrections to DFT and HF increase Be values (shrink molecular size) significantly by about 0.5-1.5% thereby in general improving agreement with the reference data. Regarding DFT methods, the overall accuracy of the optimized structures roughly follows the 'Jacobs ladder' classification scheme, i.e., it decreases in the series double-hybrid > (meta)hybrid > (meta)GGA > LDA. With B2PLYP-D3, SCS-MP2, B3LYP-D3/NL, or PW6B95-D3 methods and extended QZVP (def2-TZVP) AO basis sets, Be values, accurate to about 0.3-0.6 (0.5-1)% on average, can be computed routinely. The accuracy of B2PLYP-D3/QZVP with a mean deviation of only 3 MHz and a standard deviation of 0.24% is exceptional and we recommend this method when highly accurate structures are required or for problematic conformer assignments. The correlation effects for three inter-atomic distance regimes (covalent, medium-range, long) and the performance of minimal basis set (semi-empirical) methods are discussed.

  19. Effect of Solvent Molecule in Pore for Flexible Porous Coordination Polymer upon Gas Adsorption and Iodine Encapsulation.

    PubMed

    Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat; Demiral, Hakan

    2015-12-07

    Four new Zn(II)-coordination polymers, namely, [Zn2(μ6-ao2btc)(μ-obix)2]n (1), [Zn2(μ4-ao2btc)(μ-obix)2]n (2), [Zn2(μ4-ao2btc)(μ-mbix)2]n (3), and {[Zn2(μ4-ao2btc)(μ-pbix)2] · 2DMF · 8H2O}n (4), where ao2btc = dioxygenated form of 3,3',5,5'-azobenzenetetracarboxylate and obix, mbix, and pbix = 1,2-, 1,3-, and 1,4-bis(imidazol-1-ylmethyl)benzene, have been synthesized with azobenzenetetracarboxylic acid and isomeric bis(imidazole) ligands and characterized by elemental analyses, IR spectra, single-crystal X-ray diffraction, powder X-ray diffraction, and thermal analyses. X-ray results showed that 1, 2, and 4 had two-dimensional structures with 3,4L13 topology, while 3 was a three-dimensional coordination polymer with bbf topology. For 4, two types of activation strategies, solvent exchange + heating (which produced 4a) and direct heating (which produced 4b), were used to investigate the effect of a guest molecule in a flexible framework. Gas adsorption and iodine encapsulation properties of activated complexes were studied. The CO2 uptake capacities for 4a and 4b were 3.62% and 9.50%, respectively, and Langmuir surface areas calculated from CO2 isotherms were 167.4 and 350.7 m(2)/g, respectively. Moreover, 4b exhibited 19.65% and 15.27% iodine uptake in vapor phase and cyclohexane solution, respectively, which corresponded to 1.47 and 0.97 molecules of iodine/formula unit, respectively. Moreover, photoluminescence properties of the complexes were studied.

  20. Hemoglobin: a gas transport molecule that is hormonally regulated in the ovarian follicle in mice and humans.

    PubMed

    Brown, Hannah M; Anastasi, Marie R; Frank, Laura A; Kind, Karen L; Richani, Dulama; Robker, Rebecca L; Russell, Darryl L; Gilchrist, Robert B; Thompson, Jeremy G

    2015-01-01

    An increasing number of nonerythroid tissues are found to express hemoglobin mRNA and protein. Hemoglobin is a well-described gas transport molecule, especially for O2, but also for NO, CO2, and CO, and also acts as a reactive oxygen species scavenger. We previously found Hba-a1 and Hbb mRNA and protein at high levels within mouse periovulatory cumulus cells, but not in cumulus following in vitro maturation. This led us to investigate the temporal and spatial regulation in follicular cells during the periovulatory period. Cumulus-oocyte complexes were collected from equine chorionic gonadotropin/human chorionic gonadotropin-treated peripubertal SV129 female mice and collected and analyzed for gene expression and protein localization at a variety of time points over the periovulatory period. A further cohort matured in vitro with different forms of hemoglobin (ferro- and ferrihemoglobin) under different O2 atmospheric conditions (2%, 5%, and 20% O2) were subsequently fertilized in vitro and cultured to the blastocyst stage. Murine mRNA transcripts for hemoglobin were regulated by stimulation of the ovulatory cascade, in both granulosa and cumulus cells, and expression of HBA1 and HBB was highly significant in human granulosa and cumulus, but erythrocyte cell marker genes were not. Several other genes involved in hemoglobin function were similarly luteinizing hormone-regulated, including genes for heme biosynthesis. Immunohistochemistry revealed a changing localization pattern of HBA-A1 protein in murine cumulus cells and oocytes following the ovulatory signal. Significantly, no positive staining for HBA-A1 protein was observed within in vitro-matured oocytes, but, if coincubated with ferro- or ferrihemoglobin, cytoplasmic HBA-A1 was observed, similar to in vivo-derived oocytes. Addition of ferro-, but not ferrihemoglobin, had a small, positive effect on blastocyst yield, but only under either 2% or 20% O2 gas atmosphere. The identification of hemoglobin within

  1. Analysis of accommodation coefficients of noble gases on aluminum surface with an experimental/computational method

    NASA Astrophysics Data System (ADS)

    Selden, Nathaniel; Gimelshein, Natalia; Gimelshein, Sergey; Ketsdever, Andrew

    2009-07-01

    A method that connects measurements of radiometric forces on a heated vane in the transitional flow regime with the kinetic modeling of the flow, and derives the accommodation coefficients through the successive analysis of measured and computed results, is proposed. The method utilizes the fact that radiometric forces exerted on heated objects immersed in rarefied gases are governed by the interaction of gas molecules with the surface. Experimental results on radiometric forces on a 0.11 m diameter circular vane are obtained on a nano-Newton thrust stand in a 3 m long vacuum chamber for pressures ranging from approximately 0.01 to 1 Pa. The vane was heated to 419 K on the hot side and 396 K on the cold side. The numerical modeling is conducted using a combined ellipsoidal statistical Bhatnagar-Gross-Krook/direct simulation Monte Carlo approach that allows accurate and time efficient analysis of radiometric forces on a vane in large vacuum chambers filled with rarefied gas. Accommodation coefficients for the Maxwell model are estimated for argon, xenon, and helium on a machined aluminum surface, and found to be 0.81, 0.86, and 0.53, respectively.

  2. Infrared Spectroscopy of Gas-Phase M(+)(CO2)n (M = Co, Rh, Ir) Ion-Molecule Complexes.

    PubMed

    Iskra, Andreas; Gentleman, Alexander S; Kartouzian, Aras; Kent, Michael J; Sharp, Alastair P; Mackenzie, Stuart R

    2017-01-12

    The structures of gas-phase M(+)(CO2)n (M = Co, Rh, Ir; n = 2-15) ion-molecule complexes have been investigated using a combination of infrared resonance-enhanced photodissociation (IR-REPD) spectroscopy and density functional theory. The results provide insight into fundamental metal ion-CO2 interactions, highlighting the trends with increasing ligand number and with different group 9 ions. Spectra have been recorded in the region of the CO2 asymmetric stretch around 2350 cm(-1) using the inert messenger technique and their interpretation has been aided by comparison with simulated infrared spectra of calculated low-energy isomeric structures. All vibrational bands in the smaller complexes are blue-shifted relative to the asymmetric stretch in free CO2, consistent with direct binding to the metal center dominated by charge-quadrupole interactions. For all three metal ions, a core [M(+)(CO2)2] structure is identified to which subsequent ligands are less strongly bound. No evidence is observed in this size regime for complete activation or insertion reactions.

  3. 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.

  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

    2016-06-15

    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.

  5. 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

  6. 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.

  7. Independent and reciprocal accommodation in anisometropic amblyopia

    PubMed Central

    Horwood, Anna M.; Riddell, Patricia M

    2015-01-01

    Accommodation is considered to be a symmetrical response, and to be driven by the least ametropic and nonamblyopic eye in anisometropia. We report a case of a 4-year-old child with anisometropic amblyopia who accommodates asymmetrically, reliably demonstrating normal accommodation in the nonamblyopic eye and anti-accommodation of the amblyopic eye to near targets. The abnormal accommodation of the amblyopic eye remained largely unchanged over seven subsequent testing sessions undertaken over the course of therapy. We suggest that a congenital dysinnervation syndrome may result in relaxation of accommodation in relation to near cues and might be a hitherto-unconsidered additional etiologic factor in anisometropic amblyopia. PMID:20863728

  8. Luminescence characteristics of Xe{sub 2}Cl excimer molecules under pumping the dense Xe-CCl{sub 4} gas mixtures with a pulsed electron beam

    SciTech Connect

    Mis'kevich, A I; Jinbo, Guo

    2013-05-31

    Temporal and spectral characteristics of the luminescence of dense Xe-CCl{sub 4} gas mixtures of different composition, excited by a 5-ns pulsed electron beam, were measured. The energy of the electrons amounted to 150 keV and the electron beam current pulse amplitude was 5 A. The gas mixtures were used containing Xe (38-700 Torr) and CCl{sub 4} (0.03-0.3 Torr). The studies were performed within the wavelength range 200-1200 nm using a MAYA-2000Pro diffraction grating spectrometer and a RIGOL DS 5022 ME fast digital oscilloscope. The luminescence lifetimes of the excimer molecules XeCl* (band with {lambda}{sub max} = 308 nm) and Xe{sub 2}Cl* (band with {lambda}{sub max} = 486 nm) were measured, as well as the constants of quenching by the components of the gas mixture for Xe{sub 2}Cl* molecules. A model of plasma-chemical processes for dense Xe-CCl{sub 4} gas mixtures with a very low content of the CCl{sub 4} donor is proposed. It is shown that in such 'poor' mixtures Xe{sub 2}Cl* molecules are mainly produced as a result of recombination of the Xe{sub 2}{sup +} and Cl{sup -} ions. (active media)

  9. Drag and energy accommodation coefficients during sunspot maximum

    NASA Astrophysics Data System (ADS)

    Pardini, Carmen; Anselmo, Luciano; Moe, Kenneth; Moe, Mildred M.

    A hundred years of laboratory measurements have shown that gas-surface interactions depend not only on the chemistry and energy of the incident particles but also on the degree of surface contamination. The conditions appropriate to gas-surface interaction in space have not been successfully duplicated in the laboratory. Consequently, knowledge of satellite drag coefficients has been dependent upon opportunities to compare theoretical models with observations of satellite decay. From such studies it is now known that the great majority of molecules which strike satellite surfaces are reemitted in a diffuse angular distribution with an energy loss given by the energy accommodation coefficient, α. Although a few measurements of α were made in the past, none was made near sunspot maximum. In the present study, we take advantage of the increasing data base to compare theoretical determinations of satellite drag coefficients with the history of satellite orbital decay during sunspot maximum. An example is the SNOE satellite which was in a circular orbit with an initial perigee altitude of 515 km during dates from October 1999 to December 2002. SNOE had a cylinder-like shape with a hexagonal cross section. It was attitude stabilized so that it maintained a constant aspect relative to the incident velocity vector, a feature which facilitated the computation of its drag coefficient as a function of α. The satellite drag coefficient was obtained by fitting, in a least squares sense, the semi-major axis decay inferred from the historical two-line elements acquired by the US Space Surveillance Network. All the principal orbital perturbations, namely geopotential harmonics up to the 16th degree and order, third body attraction of the Moon and the Sun, direct solar radiation pressure (with eclipses), and aerodynamic drag were included, using the Jacchia Bowman 2006 (JB2006) model to describe the atmospheric density. The average drag coefficient (fitted to JB2006), calculated

  10. Accommodative spasm in siblings: A unique finding

    PubMed Central

    Rutstein, Robert P

    2010-01-01

    Accommodative spasm is a rare condition occurring in children, adolescents, and young adults. A familial tendency for this binocular vision disorder has not been reported. I describe accommodative spasm occurring in a brother and sister. Both children presented on the same day with complaints of headaches and blurred vision. Treatment included cycloplegia drops and bifocals. Siblings of patients having accommodative spasm should receive a detailed eye exam with emphasis on recognition of accommodative spasm. PMID:20534925

  11. Telemedicine for AIDS patients accommodations.

    PubMed

    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.

  12. 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.

  13. 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 ...

  14. Procedural Guide to Accommodating Adults with Disabilities.

    ERIC Educational Resources Information Center

    Mellard, Daryl

    This guide is designed to provide a framework and sequence for working jointly with adult learners to confirm their disability, assess their functional needs, select appropriate accommodations, provide instruction for using accommodations, and monitor accommodation effectiveness. In addition to procedural information, the guide contains instructor…

  15. 22 CFR 142.12 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices § 142.12 Reasonable accommodation. (a) A recipient shall make reasonable accommodation to the known physical or mental limitations... the accommodation would impose an undue hardship on the operation of the program or activity....

  16. 22 CFR 217.12 - Reasonable accommodation.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices § 217.12 Reasonable accommodation. (a) A recipient shall make reasonable accommodation to the known physical or mental limitations... the accommodation would impose an undue hardship on the operation of its program or activity....

  17. 7 CFR 15b.13 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices § 15b.13 Reasonable accommodation. (a) A recipient shall make reasonable accommodation to the known physical or mental limitations of an... accommodation would impose an undue hardship on the operation of its program or activity. (b)...

  18. 22 CFR 142.12 - Reasonable accommodation.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices § 142.12 Reasonable accommodation. (a) A recipient shall make reasonable accommodation to the known physical or mental limitations... the accommodation would impose an undue hardship on the operation of the program or activity....

  19. 22 CFR 217.12 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices § 217.12 Reasonable accommodation. (a) A recipient shall make reasonable accommodation to the known physical or mental limitations... the accommodation would impose an undue hardship on the operation of its program or activity....

  20. 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... OF HANDICAP Employment Practices § 1251.201 Reasonable accommodation. (a) A recipient shall make reasonable accommodation to the known physical or mental limitations of an otherwise qualified...

  1. 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... ASSISTED PROGRAMS OR ACTIVITIES Employment Practices § 1170.22 Reasonable accommodation. (a) A recipient shall make reasonable accommodation to the known physical or mental limitations of an...

  2. 45 CFR 1151.32 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... operation of its program or activity. (b) Reasonable accommodation may include: (1) Making facilities used... 45 Public Welfare 3 2010-10-01 2010-10-01 false Reasonable accommodation. 1151.32 Section 1151.32... Prohibited Employment § 1151.32 Reasonable accommodation. (a) A recipient shall make reasonable...

  3. 46 CFR 169.317 - Accommodations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... separating accommodations from machinery spaces, paint lockers, storerooms, washrooms, and toilet facilities... 46 Shipping 7 2010-10-01 2010-10-01 false Accommodations. 169.317 Section 169.317 Shipping COAST... and Arrangement Living Spaces § 169.317 Accommodations. (a) Quarters must have sufficient fresh...

  4. 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.

  5. 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...

  6. 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...

  7. 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...

  8. 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...

  9. 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...

  10. Gas-phase infrared and ab initio study of the unstable CF3CNO molecule and its stable furoxan ring dimer.

    PubMed

    Havasi, Balázs; Pasinszki, Tibor; Westwood, Nicholas P C

    2005-05-05

    The unstable trifluoroacetonitrile N-oxide molecule, CF3CNO, has been generated in high yield in the gas phase from CF3BrC=NOH and studied for the first time by gas-phase mid-infrared spectroscopy. Cold trapping of this molecule followed by slow warming forms the stable ring dimer, bis(trifluoromethyl)furoxan, also investigated by gas-phase infrared spectroscopy. The spectroscopy provides an investigation into the vibrational character of the two molecules, the assignments supported by calculations of the harmonic vibrational frequencies using in the case of CF3CNO both ab initio (CCSD(T)) and density functional theory (B3LYP) and B3LYP for the ring dimer. The ground-state structures of both molecules were investigated at the B3LYP level of theory, with CF3CNO further investigated using coupled-cluster. The CCSD(T) method suggests a slightly bent (C(s)) structure for CF3CNO, while the B3LYP method (with basis sets ranging from 6-311G(d) to cc-pVTZ) suggests a close-to-linear or linear CCNO chain. The CCN bending potential in CF3CNO was explored at the CCSD(T)(fc)/cc-pVTZ level, with the results suggesting that CF3CNO exhibits strong quasi-symmetric top behavior with a barrier to linearity of 174 cm(-1). Since both isomerization and dimerization are feasible loss processes for this unstable molecule, the relative stability of CF3CNO with respect to the known cyanate (CF3OCN), isocyanate (CF3NCO), and fulminate (CF3ONC) isomers and the mechanism of the dimerization process to the ring furoxan and other isomers were studied with density functional theory.

  11. 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.

  12. Soyuz/ACRV accommodation study

    NASA Astrophysics Data System (ADS)

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

    1993-11-01

    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.

  13. Determination of local concentration of H2O molecules and gas temperature in the process of hydrogen - oxygen gas mixture heating by means of linear and nonlinear laser spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2013-01-01

    Employing the methods of linear absorption spectroscopy and nonlinear four-wave mixing spectroscopy using laserinduced gratings we have simultaneously measured the local concentrations of H2O molecules and the gas temperature in the process of the H2 - O2 mixture heating. During the measurements of the deactivation rates of pulsed-laser excited singlet oxygen O2 (b 1Σ+g) in collisions with H2 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, H2O molecules are formed by 'dark' reactions of H2 with O2 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 H2O concentration in the O2 laser excitation volume, if the gas temperature in this volume is known. When studying the collisional deactivation of O2 (b 1Σ+g) molecules, the necessary measurements of the local temperature can be implemented using laser-induced gratings, arising due to spatially periodic excitation of O2 (X3Σ-g) molecules to the b 1Σ+g state by radiation of the pump laser of the four-wave mixing spectrometer.

  14. 46 CFR 154.330 - Openings to accommodation, service, or control spaces.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... accommodation, service, and control spaces must have metal closures that pass a tightness test with a fire hose at not less than 207 kPa gauge (30 psig). (f) On liquefied toxic gas vessels, the closures...

  15. 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

  16. 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.

  17. 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.

  18. Kronecker-product periodic systems of small gas-phase molecules and the search for order in atomic ensembles of any phase.

    PubMed

    Hefferlin, Ray

    2008-11-01

    The periodic law, manifested in the chart of the elements, is so fundamental in chemistry and related areas of physics that the question arises "Might periodicity among molecules also be embodied in a periodic system?" This review paper details how a particular periodic system of gas-phase diatomic molecules, allowing for the forecasting of thousands of new data, was developed. It can include ionized and even quarked-nuclei molecules and it coincides with locality (averaging) and the additivity found in some data; it has interesting vector properties, and it may be related in challenging ways to partial order. The review then explains how periodic systems for triatomic and four-atomic species are evolving along a similar path. The systems rest largely upon exhaustive comparisons of tabulated data, relate to some extent to the octet rule, and include reducible representations of the dynamic group SO(4) in higher spaces. Finally, the paper shows how periodicity can be quantified in data for larger molecules. Data for properties of homologous or substituted molecules, in any phase, are quantified with a vector index, and the index for one set can be transformed into that for another set.

  19. Ab-initio investigation of adsorption of CO and CO2 molecules on graphene: Role of intrinsic defects on gas sensing

    NASA Astrophysics Data System (ADS)

    Tit, Nacir; Said, Khadija; Mahmoud, Nadin M.; Kouser, Summayya; Yamani, Zain H.

    2017-02-01

    We determine the chemical activity of (a) carbon site of pristine graphene (pG), (b) Stone-Wales (SW) defect site, and (c) Single-vacancy of graphene (vG) site towards the adsorption of CO and CO2 molecules, through comparative analysis based on first-principles density-functional calculations incorporating van der Waals (vdW) interactions, but excluding the heat effects (i.e., at T = 0 °K). The results show that the chemisorption of both latter molecules to possibly occur only on vG. The response (sensitivity) of vG towards detecting CO molecule was confirmed by the rise of conductance with the increasing CO gas dose. The selectivity was investigated by testing the response of vG towards detecting eight different gases (i.e., CO, CO2, N2, O2, H2O, H2S, H2, and NH3). Three gases are found to exhibit physisorption (namely: N2, H2O, and H2S) and the other five gases alter chemisorption (namely: CO, CO2, O2, H2, and NH3). The chemisorption of CO molecule is distinct by being direct and not involving dissociation. This fact made defected graphene have the highest sensitivity and selectivity towards the detection of CO molecules.

  20. Recent advances in experimental techniques to probe fast excited-state dynamics in biological molecules in the gas phase: dynamics in nucleotides, amino acids and beyond

    PubMed Central

    Staniforth, Michael; Stavros, Vasilios G.

    2013-01-01

    In many chemical reactions, an activation barrier must be overcome before a chemical transformation can occur. As such, understanding the behaviour of molecules in energetically excited states is critical to understanding the chemical changes that these molecules undergo. Among the most prominent reactions for mankind to understand are chemical changes that occur in our own biological molecules. A notable example is the focus towards understanding the interaction of DNA with ultraviolet radiation and the subsequent chemical changes. However, the interaction of radiation with large biological structures is highly complex, and thus the photochemistry of these systems as a whole is poorly understood. Studying the gas-phase spectroscopy and ultrafast dynamics of the building blocks of these more complex biomolecules offers the tantalizing prospect of providing a scientifically intuitive bottom-up approach, beginning with the study of the subunits of large polymeric biomolecules and monitoring the evolution in photochemistry as the complexity of the molecules is increased. While highly attractive, one of the main challenges of this approach is in transferring large, and in many cases, thermally labile molecules into vacuum. This review discusses the recent advances in cutting-edge experimental methodologies, emerging as excellent candidates for progressing this bottom-up approach. PMID:24204191

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

    NASA Astrophysics Data System (ADS)

    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.

  2. [Current progress of the artificial accommodation system].

    PubMed

    Bretthauer, G; Gengenbach, U; Nagel, J A; Beck, C; Fliedner, J; Koker, L; Krug, M; Martin, T; Stachs, O; Guthoff, R F

    2014-12-01

    In case of presbyopia or cataract the "artificial accommodation system" represents one future possibility to durably restore the ability to accommodate. The work presented describes recent progress in the development of the artificial accommodation system. Major advances were achieved in the fields of the actuator system for the active optics, the pupil near reflex sensor, the communication system, the power supply system as well as in system integration. Beside the technical advances, first trials were performed to implant the artificial accommodation system into animals. These trials showed that the new lens shaped design and the C-shaped haptics are beneficial for implantation and secure fixation of the implant inside the capsular bag.

  3. 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.

  4. 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.

  5. Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution.

    PubMed

    Santoro, Fabrizio; Lami, Alessandro; Improta, Roberto; Barone, Vincenzo

    2007-05-14

    The authors present a new method for the computation of vibrationally resolved optical spectra of large molecules, including the Duschinsky rotation of the normal modes and the effect of thermal excitation. The method automatically selects the relevant vibronic contributions to the spectrum, independently of their frequency, and it is able to provide fully converged spectra with moderate computational times, both in vacuo and in solution. By describing the electronic states in the frame of the density functional theory and its time-dependent extension, they computed the room temperature absorption spectra of coumarin C153 and trans-stilbene in cyclohexane and the phosphorescence spectrum of porphyrazine in gas phase, showing that the method is fast and efficient. The comparison with experiment for trans-stilbene and coumarin C153 is very satisfactory, confirming the progress made toward a reliable method for the computation and interpretation for the optical spectra of large molecules.

  6. Formation and Fragmentation of Protonated Molecules after Ionization of Amino Acid and Lactic Acid Clusters by Collision with Ions in the Gas Phase.

    PubMed

    Poully, Jean-Christophe; Vizcaino, Violaine; Schwob, Lucas; Delaunay, Rudy; Kocisek, Jaroslav; Eden, Samuel; Chesnel, Jean-Yves; Méry, Alain; Rangama, Jimmy; Adoui, Lamri; Huber, Bernd

    2015-08-03

    Collisions between O(3+) ions and neutral clusters of amino acids (alanine, valine and glycine) as well as lactic acid are performed in the gas phase, in order to investigate the effect of ionizing radiation on these biologically relevant molecular systems. All monomers and dimers are found to be predominantly protonated, and ab initio quantum-chemical calculations on model systems indicate that for amino acids, this is due to proton transfer within the clusters after ionization. For lactic acid, which has a lower proton affinity than amino acids, a significant non-negligible amount of the radical cation monomer is observed. New fragment-ion channels observed from clusters, as opposed to isolated molecules, are assigned to the statistical dissociation of protonated molecules formed upon ionization of the clusters. These new dissociation channels exhibit strong delayed fragmentation on the microsecond time scale, especially after multiple ionization.

  7. 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

  8. Accommodation coefficient of HOBr on deliquescent sodium bromide aerosol particles

    NASA Astrophysics Data System (ADS)

    Wachsmuth, M.; Gäggeler, H. W.; von Glasow, R.; Ammann, M.

    2002-06-01

    Uptake of HOBr on sea salt aerosol, sea salt brine or ice is believed to be a key process providing a source of photolabile bromine (Br2) and sustaining ozone depletion cycles in the Arctic troposphere. In the present study, uptake of HOBr on sodium bromide (NaBr) aerosol particles was investigated at an extremely low HOBr concentration of 300 cm-3 using the short-lived radioactive isotopes 83-86Br. Under these conditions, at maximum one HOBr molecule was taken up per particle. The rate of uptake was clearly limited by the mass accommodation coefficient, which was calculated to be 0.6 ± 0.2. This value is a factor of 10 larger than estimates used in earlier models. The atmospheric implications are discussed using the box model "MOCCA'', showing that the increase of the accommodation coefficient of HOBr by a factor of 10 only slightly affects net ozone loss, but significantly increases chlorine release.

  9. Towards reliable modelling of large clusters: on the overall accuracy of the diatomics-in-molecule method for rare gas cluster ions

    NASA Astrophysics Data System (ADS)

    Naumkin, Fedor Yu.; Knowles, Peter J.; Murrell, John N.

    1995-04-01

    The accuracy of the diatomics-in-molecules (DIM) method is examined for the case of rare gas ionic clusters through a series of careful calibration calculations. Ab initio potential energy functions for Rg 3+ and Rg 4+ (RgHe, Ne, Ar) are compared with the DIM model, taking diatomic potentials computed at exactly the same level of ab initio theory as input. For Ne n+, agreement is satisfactory (in most important regions within 0.05 eV), whereas for He n+, large deviations occur.

  10. Towards reliable modelling of large clusters: On the overall accuracy of the diatomics-in-molecule method for rare gas cluster ions

    NASA Astrophysics Data System (ADS)

    Naumkin, Fedor Yu.; Knowles, Peter J.; Murrell, John N.

    1995-04-01

    The accuracy of the diatomics-in-molecules (DIM) method is examined for the case of rare gas ionic clusters through a series of careful calibration calculations. Ab initio potential energy functions for Rg3(+) and Rg4(+) (Rg=He, Ne, Ar) are compared with the DIM model, taking diatomic potentials computed at exactly the same level of ab initio theory as input. For Ne(n)(+) and Ar(n)(+), agreement is satisfactory (in most important regions within 0.05 eV), whereas for He(n)(+), large deviations occur.

  11. 14 CFR 1251.201 - Reasonable accommodation.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... reasonable accommodation to the known physical or mental limitations of an otherwise qualified handicapped... hardship on the operation of its program or activity. (b) Reasonable accommodation may include: (1) Making... recipient's programor activity, factors to be considered include: (1) The overall size of the...

  12. 28 CFR 42.511 - Reasonable accommodation.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...; POLICIES AND PROCEDURES Nondiscrimination Based on Handicap in Federally Assisted Programs or Activities...) A recipient shall make reasonable accommodation to the known physical or mental limitations of an... the operation of its program or activity. (b) Reasonable accommodation may include making...

  13. 45 CFR 1232.10 - Reasonable accommodation.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... SERVICE NONDISCRIMINATION ON BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL... shall make reasonable accommodation to the known physical or mental limitations of an otherwise... accommodation would impose an undue hardship on the operation of its program or activity. (b)...

  14. 45 CFR 1232.10 - Reasonable accommodation.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... SERVICE NONDISCRIMINATION ON BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL... shall make reasonable accommodation to the known physical or mental limitations of an otherwise... accommodation would impose an undue hardship on the operation of its program or activity. (b)...

  15. 38 CFR 18.412 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... known physical or mental limitations of a handicapped applicant or employee if such accommodation would... that the accommodation would impose an undue hardship on the operation of its program or activity. (b... impose an undue hardship on the operation of a recipient's program or activity, factors to be...

  16. 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....

  17. 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...

  18. 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…

  19. 45 CFR 605.12 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 45 Public Welfare 3 2010-10-01 2010-10-01 false Reasonable accommodation. 605.12 Section 605.12 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION...; and (3) The nature and cost of the accommodation needed. (d) A recipient may not deny any...

  20. 45 CFR 605.12 - Reasonable accommodation.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 3 2011-10-01 2011-10-01 false Reasonable accommodation. 605.12 Section 605.12 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION...; and (3) The nature and cost of the accommodation needed. (d) A recipient may not deny any...

  1. 45 CFR 605.12 - Reasonable accommodation.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 45 Public Welfare 3 2012-10-01 2012-10-01 false Reasonable accommodation. 605.12 Section 605.12 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION...; and (3) The nature and cost of the accommodation needed. (d) A recipient may not deny any...

  2. 45 CFR 605.12 - Reasonable accommodation.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 45 Public Welfare 3 2013-10-01 2013-10-01 false Reasonable accommodation. 605.12 Section 605.12 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION...; and (3) The nature and cost of the accommodation needed. (d) A recipient may not deny any...

  3. 45 CFR 605.12 - Reasonable accommodation.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 3 2014-10-01 2014-10-01 false Reasonable accommodation. 605.12 Section 605.12 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION...; and (3) The nature and cost of the accommodation needed. (d) A recipient may not deny any...

  4. 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…

  5. Accommodations: Assisting Students with Disabilities. Third Edition

    ERIC Educational Resources Information Center

    Beech, Marty

    2010-01-01

    This document updates "Accommodations: Assisting Students with Disabilities. A Guide for Educators," published by the Florida Department of Education (FDOE) in 2003. This document is written to assist school district personnel and parents when making decisions about the use of accommodations by students with disabilities in instructional…

  6. Bearing-Mounting Concept Accommodates Thermal Expansion

    NASA Technical Reports Server (NTRS)

    Nespodzany, Robert; Davis, Toren S.

    1995-01-01

    Pins or splines allow radial expansion without slippage. Design concept for mounting rotary bearing accommodates differential thermal expansion between bearing and any structure(s) to which bearing connected. Prevents buildup of thermal stresses by allowing thermal expansion to occur freely but accommodating expansion in such way not to introduce looseness. Pin-in-slot configuration also maintains concentricity.

  7. 50 CFR 260.101 - Lavatory accommodations.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... facilities for cleaning and sanitizing utensils and hands, shall be provided. (a) Adequate lavatory and 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...

  8. 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

  9. Tuning the composition of guest molecules in clathrate hydrates: NMR identification and its significance to gas storage.

    PubMed

    Seo, Yutaek; Lee, Jong-Won; Kumar, Rajnish; Moudrakovski, Igor L; Lee, Huen; Ripmeester, John A

    2009-08-03

    Gas hydrates represent an attractive way of storing large quantities of gas such as methane and carbon dioxide, although to date there has been little effort to optimize the storage capacity and to understand the trade-offs between storage conditions and storage capacity. In this work, we present estimates for gas storage based on the ideal structures, and show how these must be modified given the little data available on hydrate composition. We then examine the hypothesis based on solid-solution theory for clathrate hydrates as to how storage capacity may be improved for structure II hydrates, and test the hypothesis for a structure II hydrate of THF and methane, paying special attention to the synthetic approach used. Phase equilibrium data are used to map the region of stability of the double hydrate in P-T space as a function of the concentration of THF. In situ high-pressure NMR experiments were used to measure the kinetics of reaction between frozen THF solutions and methane gas, and (13)C MAS NMR experiments were used to measure the distribution of the guests over the cage sites. As known from previous work, at high concentrations of THF, methane only occupies the small cages in structure II hydrate, and in accordance with the hypothesis posed, we confirm that methane can be introduced into the large cage of structure II hydrate by lowering the concentration of THF to below 1.0 mol %. We note that in some preparations the cage occupancies appear to fluctuate with time and are not necessarily homogeneous over the sample. Although the tuning mechanism is generally valid, the composition and homogeneity of the product vary with the details of the synthetic procedure. The best results, those obtained from the gas-liquid reaction, are in good agreement with thermodynamic predictions; those obtained for the gas-solid reaction do not agree nearly as well.

  10. Direct measurement of adsorbed gas redistribution in metal-organic frameworks.

    PubMed

    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.

  11. Improving Accommodations Outcomes: Monitoring Instructional and Assessment Accommodations for Students with Disabilities

    ERIC Educational Resources Information Center

    Christensen, Laurene L.; Thurlow, Martha L.; Wang, Ting

    2009-01-01

    This document presents a five-step process for schools, districts, and states to use in monitoring accommodations for instruction and assessment. This document was designed to be a companion to the "Council of Chief State School Officers' Accommodations Manual: How to Select, Administer, and Evaluate Use of Accommodations for Instruction and…

  12. Consequences of Using Testing Accommodations: Student, Teacher, and Parent Perceptions of and Reactions to Testing Accommodations

    ERIC Educational Resources Information Center

    Lang, Sylvia C.; Kumke, Patrick J.; Ray, Corey E.; Cowell, Erin L.; Elliott, Stephen N.; Kratochwill, Thomas R.; Bolt, Daniel M.

    2005-01-01

    This study examined student, parent, and teacher perceptions of the use of testing accommodations and the relationship between student perceptions of testing accommodations and their disability status and grade level. Students with and without disabilities completed math and reading achievement tests with and without accommodations. Students,…

  13. Production of hyperpolarized H_{2} molecules from H[over →] atoms in gas-storage cells.

    PubMed

    Engels, R; Gaißer, M; Gorski, R; Grigoryev, K; Mikirtychyants, M; Nass, A; Rathmann, F; Seyfarth, H; Ströher, H; Weiss, P; Kochenda, L; Kravtsov, P; Trofimov, V; Tschernov, N; Vasilyev, A; Vznuzdaev, M; Schieck, H Paetz Gen

    2015-09-11

    The preservation of the nuclear polarization of hydrogen atoms during the recombination to molecules was observed on different surface materials in the temperature range from 45 to 100 K and for magnetic fields up to 1 T. On a gold and a fused quartz surface, the expected molecular polarization of about 50% or lower of the atomic polarization was measured, while a surface layer of perfluoropolyether (Fomblin) shows a nearly complete preservation (at least 97%) of the atomic polarization during the recombination process. Further experiments have the possibility of storing polarized deuterium molecules and to use them in nuclear-fusion installations. Another application might be the production of polarized substances for enhanced NMR techniques.

  14. 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}.

  15. Effect of Phenylephrine on the Accommodative System

    PubMed Central

    Del Águila-Carrasco, Antonio J.; Bernal-Molina, Paula; Ferrer-Blasco, Teresa; López-Gil, Norberto; Montés-Micó, Robert

    2016-01-01

    Accommodation is controlled by the action of the ciliary muscle and mediated primarily by parasympathetic input through postganglionic fibers that originate from neurons in the ciliary and pterygopalatine ganglia. During accommodation the pupil constricts to increase the depth of focus of the eye and improve retinal image quality. Researchers have traditionally faced the challenge of measuring the accommodative properties of the eye through a small pupil and thus have relied on pharmacological agents to dilate the pupil. Achieving pupil dilation (mydriasis) without affecting the accommodative ability of the eye (cycloplegia) could be useful in many clinical and research contexts. Phenylephrine hydrochloride (PHCl) is a sympathomimetic agent that is used clinically to dilate the pupil. Nevertheless, first investigations suggested some loss of functional accommodation in the human eye after PHCl instillation. Subsequent studies, based on different measurement procedures, obtained contradictory conclusions, causing therefore an unexpected controversy that has been spread almost to the present days. This manuscript reviews and summarizes the main research studies that have been performed to analyze the effect of PHCl on the accommodative system and provides clear conclusions that could help clinicians know the real effects of PHCl on the accommodative system of the human eye. PMID:28053778

  16. [Techniques for measuring phakic and pseudophakic accommodation. Methodology for distinguishing between neurological and mechanical accommodative insufficiency].

    PubMed

    Roche, O; Roumes, C; Parsa, C

    2007-11-01

    The methods available for studying accommodation are evaluated: Donder's "push-up" method, dynamic retinoscopy, infrared optometry using the Scheiner principle, and wavefront analysis are each discussed with their inherent advantages and limitations. Based on the methodology described, one can also distinguish between causes of accommodative insufficiency. Dioptric insufficiency (accommodative lag) that remains equal at various testing distances from the subject indicates a sensory/neurologic (afferent), defect, whereas accommodative insufficiency changing with distance indicates a mechanical/restrictive (efferent) defect, such as in presbyopia. Determining accommodative insufficiency and the cause can be particularly useful when examining patients with a variety of diseases associated with reduced accommodative ability (e.g., Down syndrome and cerebral palsy) as well as in evaluating the effectiveness of various potentially accommodating intraocular lens designs.

  17. 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.

  18. Periodic DFT study of acidic trace atmospheric gas molecule adsorption on Ca- and Fe-doped MgO(001) surface basic sites.

    PubMed

    Baltrusaitis, Jonas; Hatch, Courtney; Orlando, Roberto

    2012-08-02

    The electronic properties of undoped and Ca- or Fe-doped MgO(001) surfaces, as well as their propensity toward atmospheric acidic gas (CO2, SO2, and NO2) uptake was investigated with an emphasis on gas adsorption on the basic MgO oxygen surface sites, O(surf), using periodic density functional theory (DFT) calculations. Adsorption energy calculations show that MgO doping will provide stronger interactions of the adsorbate with the O(surf) sites than the undoped MgO for a given adsorbate molecule. Charge transfer from the iron atom in Fe-doped MgO(001) to NO2 was shown to increase the binding interaction between adsorbate by an order of magnitude, when compared to that of undoped and Ca-doped MgO(001) surfaces. Secondary binding interactions of adsorbate oxygen atoms were observed with surface magnesium sites at distances close to those of the Mg-O bond within the crystal. These interactions may serve as a preliminary step for adsorption and facilitate further adsorbate transformations into other binding configurations. Impacts on global atmospheric chemistry are discussed as these adsorption phenomena can affect atmospheric gas budgets via altered partitioning and retention on mineral aerosol surfaces.

  19. 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.

  20. 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.

  1. 10 CFR 1040.67 - Reasonable accommodation.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... DEPARTMENT OF ENERGY (GENERAL PROVISIONS) NONDISCRIMINATION IN FEDERALLY ASSISTED PROGRAMS OR ACTIVITIES... known physical or mental limitations of an otherwise qualified handicapped applicant or employee unless... of its program or activity. (b) Reasonable accommodation may include: (1) Making facilities used...

  2. 45 CFR 84.12 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... BASIS OF HANDICAP IN PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices... physical or mental limitations of an otherwise qualified handicapped applicant or employee unless the... program or activity. (b) Reasonable accommodation may include: (1) Making facilities used by...

  3. Accommodation of workers with chronic neurologic disorders.

    PubMed

    Bleecker, Margit L; Barnes, Sheryl K

    2015-01-01

    The ability to work is important to those with chronic neurologic disorders (CND) and to the aging workforce. Many signs and symptoms are similar in those with CND and normal aging, but may interfere with the ability to work if not appropriately accommodated. This requires the healthcare provider to recognize the specific features of the CND that interferes with work and how it can be accommodated. Review of the American with Disabilities Act and the subsequent amendment informs the healthcare provider as to what is covered under the law and how the disability can be accommodated. Overall employers want to retain qualified employees and therefore accommodating workers is beneficial to both the employee with CND and the employer.

  4. 50 CFR 260.101 - Lavatory accommodations.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... Fishery Products for Human Consumption Requirements for Plants Operating Under Continuous Inspection on A... water, soap, and single service towels, shall be provided. Such accommodations shall be in or...

  5. 50 CFR 260.101 - Lavatory accommodations.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... Fishery Products for Human Consumption Requirements for Plants Operating Under Continuous Inspection on A... water, soap, and single service towels, shall be provided. Such accommodations shall be in or...

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

    NASA Astrophysics Data System (ADS)

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

    2014-07-01

    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.

  7. Controlled growth of conical nickel oxide nanocrystals and their high performance gas sensing devices for ammonia molecule detection.

    PubMed

    Wang, Jian; Yang, Fan; Wei, Xiaowei; Zhang, Yafei; Wei, Liangming; Zhang, Jianjun; Tang, Qifeng; Guo, Biao; Xu, Lei

    2014-08-21

    NiO nanocones with good symmetry and highly ordered structure on NiO foil substrate have been successfully fabricated via a facile wet chemical approach combined with subsequent high temperature oxidation. These organized conical superstructures grow only along a certain direction and be controlled via the self-assembly and oriented attachment of a nucleus, which mainly rely on the similar surface energies and the extent of lattice matching of the oriented attached surfaces. During high temperature oxidation, the electric field created via the Ni(2+) and O(2-) facilitates Ni(2+) diffusion outward along the grain boundaries and O(2-) diffusion inward toward to meet the Ni(2+) ions, forming NiO. The as-grown NiO nanocones are 50-350 nm in diameter and 50-400 nm in height. The tip diameter of the nanocone is about 30 nm and the apex angle of the nanocone is about 40°. Meanwhile, we systematically investigated the gas sensing properties of the sensors based on the as-fabricated NiO foil covered with nanocone arrays for ammonia detection at room temperature. The results show that the gas sensing devices have outstanding sensitivity, reproducibility and selectivity, which are mainly because of the excellent connection between the NiO sensing materials and the Au electrodes, the strong electron donating ability of ammonia and the large active surface of selective physisorption for ammonia.

  8. Coherent Rayleigh-Brillouin scattering for in situ detection of nanoparticles and large molecules in gas and plasma

    NASA Astrophysics Data System (ADS)

    Gerakis, A.; Shneider, M. N.; Stratton, B. C.; Santra, B.; Car, R.; Raitses, Y.

    2016-09-01

    Laser-based diagnostics methods, such as Spontaneous and Coherent Rayleigh and Rayleigh-Brillouin scattering (SRBS and CRBS), can be used for in-situ detection and characterization of nanoparticle shape and size as well as their concentration in an inert gas atmosphere. We recently developed and tested this advanced diagnostic at PPPL. It was shown that the signal intensity of the CRBS signal depends on the gas-nanoparticle mixture composition, density and the polarizabilities of the mixture components. The measured results agree well with theoretical predictions of Refs. In this work, we report the application of this diagnostic to monitor nucleation and growth of nanoparticles in a carbon arc discharge. In support of these measurements, A time-dependent density functional theory was used to compute the frequency-dependent polarizabilities of various nanostructures in order to predict the corresponding Rayleigh scattering intensities as well as light depolarization. Preliminary results of measurements demonstrate that CRBS is capable to detect nanoparticles in volume. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.

  9. Accommodation dynamics in aging rhesus monkeys.

    PubMed

    Croft, M A; Kaufman, P L; Crawford, K S; Neider, M W; Glasser, A; Bito, L Z

    1998-12-01

    Accommodation, the mechanism by which the eye focuses on near objects, is lost with increasing age in humans and monkeys. This pathophysiology, called presbyopia, is poorly understood. We studied aging-related changes in the dynamics of accommodation in rhesus monkeys aged 4-24 yr after total iridectomy and midbrain implantation of an electrode to permit visualization and stimulation, respectively, of the eye's accommodative apparatus. Real-time video techniques were used to capture and quantify images of the ciliary body and lens. During accommodation in youth, ciliary body movement was biphasic, lens movement was monophasic, and both slowed as the structures approached their new steady-state positions. Disaccommodation occurred more rapidly for both ciliary body and lens, but with longer latent period, and slowed near the end point. With increasing age, the amplitude of lens and ciliary body movement during accommodation declined, as did their velocities. The latent period of lens and ciliary body movements increased, and ciliary body movement became monophasic. The latent period of lens and ciliary body movement during disaccommodation was not significantly correlated with age, but their velocity declined significantly. The age-dependent decline in amplitude and velocity of ciliary body movements during accommodation suggests that ciliary body dysfunction plays a role in presbyopia. The age changes in lens movement could be a consequence of increasing inelasticity or hardening of the lens, or of age changes in ciliary body motility.

  10. Modified method of accommodative facility evaluation

    NASA Astrophysics Data System (ADS)

    Kedzia, Boleslaw; Pieczyrak, Danuta; Tondel, Grazyna; Maples, Willis C.

    1998-10-01

    Background: Accommodative facility testing is a common test performed by optometrist to investigate an individuals skill at focusing objects at near and at far. The traditional test however harbors possible confounding variables including individual variance in reaction time, visual acuity, verbal skills and oculomotor function. We have designed a test procedure to control these variables. Methods: Children were evaluated with a traditional accommodative facility test, a test which evaluated reaction time and language skill but without accommodative (plano lenses) and a test which evaluated reaction time, language skill and accommodative facility (+/- 2.00 D lenses). Results: Speed of reaction time was 2.9 sec/cycle for the plano lenses (for dominant eye). Speed of reaction with +/- 2.00 D lenses was 6.6 sec/cycle for dominant eye and the monocular speed of accommodations was calculated to average 3.7 sec/cycle. Normative data reported in the literature was calculated to be 5.5 sec/cycle. Discussion: We found that both our method which controls for confounding variables the traditional method reveal similar findings but that individual subjects would pass one method and fail the other. This is attributed to variation in the reaction time and digit naming skill. Conclusions: Although both methods reap similar results, both methods should be employed to discover, in those who score below the expected finding, to tease out whether or not the fault falls within the reaction time/language area or whether it is a true accommodative facility dysfunction.

  11. 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

  12. Interactions of neutral and singly charged keV atomic particles with gas-phase adenine molecules

    SciTech Connect

    Alvarado, Fresia; Bari, Sadia; Hoekstra, Ronnie; Schlathoelter, Thomas

    2007-07-21

    KeV atomic particles traversing biological matter are subject to charge exchange and screening effects which dynamically change this particle's effective charge. The understanding of the collision cascade along the track thus requires a detailed knowledge of the interaction dynamics of radiobiologically relevant molecules, such as DNA building blocks or water, not only with ionic but also with neutral species. We have studied collisions of keV H{sup +}, He{sup +}, and C{sup +} ions and H{sup 0}, He{sup 0}, and C{sup 0} atoms with the DNA base adenine by means of high resolution time-of-flight spectrometry. For H{sup 0} and H{sup +} we find qualitatively very similar fragmentation patterns, while for carbon, strong differences are observed when comparing C{sup 0} and C{sup +} impact. For collisions with He{sup 0} and He{sup +} projectiles, a pronounced delayed fragmentation channel is observed, which has not been reported before.

  13. Hydrogen gas acts as a novel bioactive molecule in enhancing plant tolerance to paraquat-induced oxidative stress via the modulation of heme oxygenase-1 signalling system.

    PubMed

    Jin, Qijiang; Zhu, Kaikai; Cui, Weiti; Xie, Yanjie; Han, Bin; Shen, Wenbiao

    2013-05-01

    Hydrogen gas (H2) was recently proposed as a novel antioxidant and signalling molecule in animals. However, the physiological roles of H2 in plants are less clear. Here, we showed that exposure of alfalfa seedlings to paraquat stress increased endogenous H2 production. When supplied with exogenous H2 or the heme oxygenase-1 (HO-1)-inducer hemin, alfalfa plants displayed enhanced tolerance to oxidative stress induced by paraquat. This was evidenced by alleviation of the inhibition of root growth, reduced lipid peroxidation and the decreased hydrogen peroxide and superoxide anion radical levels. The activities and transcripts of representative antioxidant enzymes were induced after exposure to either H2 or hemin. Further results showed that H2 pretreatment could dramatically increase levels of the MsHO-1 transcript, levels of the protein it encodes and HO-1 activity. The previously mentioned H2-mediated responses were specific for HO-1, given that the potent HO-1-inhibitor counteracted the effects of H2. The effects of H2 were reversed after the addition of an aqueous solution of 50% carbon monoxide (CO). We also discovered enhanced tolerance of multiple environmental stresses after plants were pretreated with H2 . Together, these results suggested that H2 might function as an important gaseous molecule that alleviates oxidative stress via HO-1 signalling.

  14. Mechanism for the atomic layer deposition of copper using diethylzinc as the reducing agent: a density functional theory study using gas-phase molecules as a model.

    PubMed

    Dey, Gangotri; Elliott, Simon D

    2012-09-06

    We present theoretical studies based on first-principles density functional theory calculations for the possible gas-phase mechanism of the atomic layer deposition (ALD) of copper by transmetalation from common precursors such as Cu(acac)(2), Cu(hfac)(2), Cu(PyrIm(R))(2) with R = (i)Pr and Et, Cu(dmap)(2), and CuCl(2) where diethylzinc acts as the reducing agent. An effect on the geometry and reactivity of the precursors due to differences in electronegativity, steric hindrance, and conjugation present in the ligands was observed. Three reaction types, namely, disproportionation, ligand exchange, and reductive elimination, were considered that together comprise the mechanism for the formation of copper in its metallic state starting from the precursors. A parallel pathway for the formation of zinc in its metallic form was also considered. The model Cu(I) molecule Cu(2)L(2) was studied, as Cu(I) intermediates at the surface play an important role in copper deposition. Through our study, we found that accumulation of an LZnEt intermediate results in zinc contamination by the formation of either Zn(2)L(2) or metallic zinc. Ligand exchange between Cu(II) and Zn(II) should proceed through a Cu(I) intermediate, as otherwise, it would lead to a stable copper molecule rather than copper metal. Volatile ZnL(2) favors the ALD reaction, as it carries the reaction forward.

  15. A theoretical study of the XP and NEXAFS spectra of alanine: gas phase molecule, crystal, and adsorbate at the ZnO(10 ̅10) surface.

    PubMed

    Gao, You Kun; Traeger, Franziska; Kotsis, Konstantinos; Staemmler, Volker

    2011-06-14

    The adsorption of alanine on the mixed-terminated ZnO(10 ̅10) surface is studied by means of quantum-chemical ab initio calculations. Using a finite cluster model and the adsorption geometry as obtained both by periodic CPMD and embedded cluster calculations, the C1s, N1s and O1s X-ray photoelectron spectra (XPS) and near-edge X-ray absorption fine structure (NEXAFS) spectra are calculated for single alanine molecules on ZnO(10 ̅10). These spectra are compared with the spectra calculated for alanine in the gas phase and in its crystalline form and with experimental XPS and NEXAFS data for the isolated alanine molecule and for alanine adsorbed on ZnO(10 ̅10) at multilayer and monolayer coverage. The excellent agreement between the experimental and calculated XP and NEXAFS spectra confirms the calculated adsorption geometry: A single alanine molecule is bound to ZnO(10 ̅10) in a dissociated bidentate form with the two O atoms of the acid group bound to two Zn atoms of the surface and the proton transferred to one O atom of the surface. Other possible structures, such as adsorption of alanine in one of its neutral or zwitterionic forms in which the proton of the -COOH group remains at this group or is transferred to the amino group, can be excluded since they would give rise to quite different XP spectra. In the multilayer coverage regime, on the other hand, alanine is in its crystalline form as is also shown by the analysis of the XP spectra.

  16. [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.

  17. 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.

  18. 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)

  19. Bio-inspired accommodating fluidic intraocular lens.

    PubMed

    Qiao, Wen; Johnson, Daniel; Tsai, Frank S; Cho, Sung Hwan; Lo, Yu-Hwa

    2009-10-15

    The invention of intraocular lens (IOL), a substitute for crystalline lens, represents a major advancement in cataract surgery. After about sixty years of IOL development, one key remaining problem is its limited accommodation range compared with natural eyes. To overcome this performance limit, we explore bio-inspired fluidic IOL. By mimicking the working principle of natural eyes, a fluidic intraocular lens can achieve an exceedingly large accommodation range. An experiment on fluidic IOL demonstrated a very high tuning range of 12 D. This accommodation range was achieved with a modest amount of force (0.06 N) and equatorial radius change (0.286 mm), in conditions matching well with the characteristics of aged eyes.

  20. 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.

  1. Experimental investigations of pupil accommodation factors.

    PubMed

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

    2011-08-17

    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.

  2. 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.

  3. 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.

  4. Refinements in the Semi-Empirical Accommodation Coefficient Model for Satellites

    NASA Astrophysics Data System (ADS)

    Pilinski, Marcin; Argrow, Brian; Palo, Scott

    Aerodynamic drag is often the most significant perturbation in low Earth orbit (LEO) and the prediction of this force and its variability is crucial to orbit determination and prediction as well as to the measurement of atmospheric density via satellite drag. The most uncertain parameter in determining aerodynamic forces on satellites is the drag coefficient which is a function of atmospheric properties, satellite velocity, and the nature of gas-surface interactions. The last category is often summarized by the energy accommodation coefficient which is a measure of the energy lost at the surface by incoming gas particles and ranges from 0 (no energy loss) to 1 (particle reflects with the energy of the surface). This is a very important variable as the satellite drag coefficient could vary as much as 30% depending on the accommodation coefficient values. To facilitate the computation of accurate satellite drag, we present an accommodation coefficient model that is an improvement over interpolation of tabulated values. A previous model, which is based on the idea of atomic oxygen adsorption on satellite surfaces in circular LEO, is elaborated to achieve a wider range of applicability and to improve accuracy. First, the relationship between adsorption and accommodation is refined using a weighted average of accommodation behavior in previously studied gas-surface regimes. Next, we explore the effects of multi-layer adsorption on the agreement between model and tabulated values. The model is also extended to highly elliptical orbits by including the effect of kinetic energy on the sticking coefficient of atomic oxygen. This last improvement is a result of accommodation measurements made using Air Force Space Command observations of rocket bodies in highly eccentric orbits. Finally, a comparison of the accommodation coefficient model with existing data is presented along with estimates of its accuracy.

  5. 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.

  6. 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

  7. 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... 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, 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...

  9. 46 CFR 72.20-20 - Sleeping accommodations.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 3 2011-10-01 2011-10-01 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...

  10. 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... 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...

  11. 28 CFR 36.310 - Transportation provided by public accommodations.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... accommodations. 36.310 Section 36.310 Judicial Administration DEPARTMENT OF JUSTICE NONDISCRIMINATION ON THE 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...

  12. 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...

  13. 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...

  14. 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...

  15. 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...

  16. 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...

  17. 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...

  18. 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...

  19. 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...

  20. 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...

  1. 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...

  2. 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...

  3. 15 CFR 8b.12 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... physical or metal limitations of an otherwise qualified handicapped applicant or employee unless the... program or activity. (b) Reasonable accommodation may include: (1) Making the facilities used by the employees in the area where the program or activity is conducted, including common areas used by...

  4. Payload accommodations: Avionics payload support architecture

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Technology issues/trade studies; candidate programs; key contacts/facilities: milestones; accomplishments; and major objectives of the payload accommodation are outlined. Topics covered include: avionics payload support architecture; satellite serving; P/L deploy systems and advanced manipulators; advanced telemetry systems; and on-board abort planning. This presentation is represented by viewgraphs only.

  5. 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)

  6. 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.

  7. 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...

  8. 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…

  9. 24 CFR 8.11 - Reasonable accommodation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 24 Housing and Urban Development 1 2010-04-01 2010-04-01 false Reasonable accommodation. 8.11 Section 8.11 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NONDISCRIMINATION BASED ON HANDICAP IN FEDERALLY ASSISTED PROGRAMS AND ACTIVITIES OF...

  10. 24 CFR 8.11 - Reasonable accommodation.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 24 Housing and Urban Development 1 2011-04-01 2011-04-01 false Reasonable accommodation. 8.11 Section 8.11 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NONDISCRIMINATION BASED ON HANDICAP IN FEDERALLY ASSISTED PROGRAMS AND ACTIVITIES OF...

  11. 24 CFR 8.11 - Reasonable accommodation.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 24 Housing and Urban Development 1 2014-04-01 2014-04-01 false Reasonable accommodation. 8.11 Section 8.11 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NONDISCRIMINATION BASED ON HANDICAP IN FEDERALLY ASSISTED PROGRAMS AND ACTIVITIES OF...

  12. 24 CFR 8.11 - Reasonable accommodation.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 24 Housing and Urban Development 1 2012-04-01 2012-04-01 false Reasonable accommodation. 8.11 Section 8.11 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NONDISCRIMINATION BASED ON HANDICAP IN FEDERALLY ASSISTED PROGRAMS AND ACTIVITIES OF...

  13. 22 CFR 217.12 - Reasonable accommodation.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 22 Foreign Relations 1 2014-04-01 2014-04-01 false Reasonable accommodation. 217.12 Section 217.12 Foreign Relations AGENCY FOR INTERNATIONAL DEVELOPMENT NONDISCRIMINATION ON THE BASIS OF HANDICAP IN..., acquisition or modification of equipment or devices, the provision of readers or interpreters, and...

  14. 24 CFR 8.11 - Reasonable accommodation.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 24 Housing and Urban Development 1 2013-04-01 2013-04-01 false Reasonable accommodation. 8.11 Section 8.11 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NONDISCRIMINATION BASED ON HANDICAP IN FEDERALLY ASSISTED PROGRAMS AND ACTIVITIES OF...

  15. 22 CFR 217.12 - Reasonable accommodation.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 22 Foreign Relations 1 2013-04-01 2013-04-01 false Reasonable accommodation. 217.12 Section 217.12 Foreign Relations AGENCY FOR INTERNATIONAL DEVELOPMENT NONDISCRIMINATION ON THE BASIS OF HANDICAP IN..., acquisition or modification of equipment or devices, the provision of readers or interpreters, and...

  16. 22 CFR 217.12 - Reasonable accommodation.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 22 Foreign Relations 1 2012-04-01 2012-04-01 false Reasonable accommodation. 217.12 Section 217.12 Foreign Relations AGENCY FOR INTERNATIONAL DEVELOPMENT NONDISCRIMINATION ON THE BASIS OF HANDICAP IN..., acquisition or modification of equipment or devices, the provision of readers or interpreters, and...

  17. ISS truss attached payload accommodations overview

    NASA Astrophysics Data System (ADS)

    Youmans, Janella S.; Olson, Michael F.; Foster, Mark A.; Watkins, Barbara S.

    1999-01-01

    One of the defining features of the International Space Station (ISS) is its capacity to accommodate long-term science in the external environment of space. The large truss structure spanning the vehicle is designed to support core system equipment such as solar arrays, thermal radiators, and the pressurized module structures. In addition to supporting core systems, the truss structure also accommodates four attached payload facilities and two logistics carriers. This paper focuses on the capabilities of the ISS in accommodating externally attached science payloads, defines the locations where experiments can be conducted, explains the environment wherein typical experiments will be performed, and identifies the payload interfaces and access to resources such as power and data. The paper will also summarize the robotic accommodations which will support attached payloads and describes typical procedures for installation of the payloads onto the sites. Finally, the paper will provide a summary description of the attach sites on the NASDA Exposed Facility and the potential for use of alternative attach sites on the ISS.

  18. College Students' Preferences for Test Accommodations

    ERIC Educational Resources Information Center

    Lewandowski, Lawrence; Lambert, Tonya L.; Lovett, Benjamin J.; Panahon, Carlos J.; Sytsma, Marcia R.

    2014-01-01

    College students with (n = 137) and without disabilities (n = 475) were surveyed about their perceptions of using various types of test accommodations. Results indicated that extended time was perceived as having a positive effect by the most students (>87% of both groups), followed by separate room testing and extra breaks (>60% of both…

  19. 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 noise. (d) Each person on board must have a separate berth which is of sufficient size...

  20. 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 noise. (d) Each person on board must have a separate berth which is of sufficient size...

  1. 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 noise. (d) Each person on board must have a separate berth which is of sufficient size...

  2. 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 noise. (d) Each person on board must have a separate berth which is of sufficient size...

  3. 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…

  4. 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…

  5. 10 CFR 4.123 - Reasonable accommodation.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 1 2013-01-01 2013-01-01 false Reasonable accommodation. 4.123 Section 4.123 Energy NUCLEAR REGULATORY COMMISSION NONDISCRIMINATION IN FEDERALLY ASSISTED PROGRAMS OR ACTIVITIES RECEIVING... composition and structure of the recipient's workforce; and (3) The nature and cost of the...

  6. 50 CFR 260.101 - Lavatory accommodations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 50 Wildlife and Fisheries 7 2010-10-01 2010-10-01 false Lavatory accommodations. 260.101 Section 260.101 Wildlife and Fisheries NATIONAL MARINE FISHERIES SERVICE, NATIONAL OCEANIC AND ATMOSPHERIC... Fishery Products for Human Consumption Requirements for Plants Operating Under Continuous Inspection on...

  7. 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…

  8. 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…

  9. 9 CFR 354.225 - Lavatory accommodations.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... for cleaning utensils and hands shall be provided. (a) Adequate lavatory and toilet accommodations, including, but not being limited to, running hot water and cold water, soap, and towels, shall be provided... water for washing hands. (d) Durable signs shall be posted conspicuously in each toilet room and...

  10. 9 CFR 354.225 - Lavatory accommodations.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... for cleaning utensils and hands shall be provided. (a) Adequate lavatory and toilet accommodations, including, but not being limited to, running hot water and cold water, soap, and towels, shall be provided... water for washing hands. (d) Durable signs shall be posted conspicuously in each toilet room and...

  11. 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…

  12. 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,"…

  13. 29 CFR 32.13 - Reasonable accommodation.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... RECEIVING FEDERAL FINANCIAL ASSISTANCE Employment Practices and Employment Related Training Participation... physical or mental limitations of an otherwise qualified handicapped applicant, employee or participant... workforce, and duration and type of training; and (3) The nature and cost of the accommodation needed. (c)...

  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. 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.

  16. 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.

  17. Convoluted accommodation structures in folded rocks

    NASA Astrophysics Data System (ADS)

    Dodwell, T. J.; Hunt, G. W.

    2012-10-01

    A simplified variational model for the formation of convoluted accommodation structures, as seen in the hinge zones of larger-scale geological folds, is presented. The model encapsulates some important and intriguing nonlinear features, notably: infinite critical loads, formation of plastic hinges, and buckling on different length-scales. An inextensible elastic beam is forced by uniform overburden pressure and axial load into a V-shaped geometry dictated by formation of a plastic hinge. Using variational methods developed by Dodwell et al., upon which this paper leans heavily, energy minimisation leads to representation as a fourth-order nonlinear differential equation with free boundary conditions. Equilibrium solutions are found using numerical shooting techniques. Under the Maxwell stability criterion, it is recognised that global energy minimisers can exist with convoluted physical shapes. For such solutions, parallels can be drawn with some of the accommodation structures seen in exposed escarpments of real geological folds.

  18. Shear accommodation in dirty grain boundaries

    NASA Astrophysics Data System (ADS)

    Wang, C.; Upmanyu, M.

    2014-04-01

    The effect of solutes (dirt) on the mechanics of crystalline interfaces remains unexplored. Here, we perform atomic-scale simulations to study the effect of carbon segregation on the shear accommodation at select grain boundaries in the classical α-Fe/C system. For shear velocities larger than the solute diffusion rate, we observe a transition from coupled motion to sliding. Below a critical solute excess, the boundaries break away from the solute cloud and exhibit in a coupled motion. At smaller shear velocities, the extrinsic coupled motion is jerky, occurs at relatively small shear stresses, and is aided by fast convective solute diffusion along the boundary. Our studies underscore the combined effect of energetics and kinetics of solutes in modifying the bicrystallography, temperature and rate dependence of shear accommodation at grain boundaries.

  19. 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

  20. Design principles to accommodate older adults.

    PubMed

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

    2012-02-29

    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.

  1. Optical method for measuring thermal accommodation coefficients using a whispering-gallery microresonator

    NASA Astrophysics Data System (ADS)

    Ganta, D.; Dale, E. B.; Rezac, J. P.; Rosenberger, A. T.

    2011-08-01

    A novel optical method has been developed for the measurement of thermal accommodation coefficients in the temperature-jump regime. The temperature dependence of the resonant frequency of a fused-silica microresonator's whispering-gallery mode is used to measure the rate at which the microresonator comes into thermal equilibrium with the ambient gas. The thermal relaxation time is related to the thermal conductivity of the gas under some simplifying assumptions and measuring this time as a function of gas pressure determines the thermal accommodation coefficient. Using a low-power tunable diode laser of wavelength around 1570 nm to probe a microsphere's whispering-gallery mode through tapered-fiber coupling, we have measured the accommodation coefficients of air, helium, and nitrogen on fused silica at room temperature. In addition, by applying thin-film coatings to the microsphere's surface, we have demonstrated that accommodation coefficients can be measured for various gases on a wide range of modified surfaces using this method.

  2. Estimation of tangential momentum accommodation coefficient using molecular dynamics simulation

    NASA Astrophysics Data System (ADS)

    Finger, George Wayne

    The Tangential Momentum Accommodation Coefficient (TMAC) is used to improve the accuracy of fluid flow calculations in the slip flow regime. Under such conditions the continuum assumption that a fluid velocity at a solid surface is equal to the surface velocity is inaccurate because relatively significant fluid "slip" occurs at the surface. In this work, Molecular Dynamics techniques are used to study the impacts of individual gas atoms upon solid surfaces to understand how approach velocity, crystal geometry and interatomic forces affect the scattering of the gas atoms, specifically from the perspective of tangential momentum. The gas - solid impacts were modeled using Lennard Jones potentials. Solid surfaces were modeled with approximately 3 atoms wide by 3 atoms deep by 40 or more atoms long. The crystal surface was modeled as a Face Centered Cubic (100). The gas was modeled as individual free gas atoms. Gas approach angles were varied from 10° to 70° from normal. Gas speed was either specified directly or by way of a ratio relationship with the Lennard-Jones energy potential (Energy Ratio). For each impact the initial and final tangential momenta were determined and after a series of many impacts, a value of TMAC was calculated for those conditions. The modeling was validated with available experimental data for He gas atoms at 1770 m/s impacting Cu over angles ranging from 10° to 70°. The model agreed within 3% of the experimental values and correctly predicted that the coefficient changes with angle of approach. Molecular Dynamics results estimate TMAC values from a high of 1.2 to a low of 0.25, generally estimating a higher coefficient at the smaller angles. TMAC values above 1.0 indicate backscattering, which has been experimentally observed in numerous instances. Increasing the Energy Ratio above a value of 5 tends to decrease the coefficient at all angles. Adsorbed layers atop a surface influence the coefficient similar to their Energy Ratio. The

  3. 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.

  4. 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 Astrophysics Data System (ADS)

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

    1993-03-01

    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°N and 50°S; and, SAGE II continues to make measurements since its launch in October 1984. For both 30°N and 50°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.

  5. 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.

  6. 28 CFR 36.310 - Transportation provided by public accommodations.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... public accommodation, customer shuttle bus services operated by private companies and shopping centers, student transportation systems, and transportation provided within recreational facilities such as... readily achievable. (c) Requirements for vehicles and systems. A public accommodation subject to...

  7. 28 CFR 36.310 - Transportation provided by public accommodations.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... public accommodation, customer shuttle bus services operated by private companies and shopping centers, student transportation systems, and transportation provided within recreational facilities such as... readily achievable. (c) Requirements for vehicles and systems. A public accommodation subject to...

  8. 28 CFR 36.310 - Transportation provided by public accommodations.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... public accommodation, customer shuttle bus services operated by private companies and shopping centers, student transportation systems, and transportation provided within recreational facilities such as... readily achievable. (c) Requirements for vehicles and systems. A public accommodation subject to...

  9. Thermal accommodation coefficient of helium and argon on an amorphous SiO/sub 2/ surface

    SciTech Connect

    McFall, A.

    1980-01-01

    The thermal accommodation coefficient was determined for the interaction of two inert gases, helium and argon, on a surface composed of thermally grown amorphous silicon dioxide. The surface was processed as an integrated circuit chip and utilized components capable of generating heat and measuring temperature. The accommodation coefficient of helium on clean SiO/sub 2/ was found to be 0.198, while that for argon was 0.421. Both one-dimensional and three-dimensional continuum theory models of the accommodation coefficient were used for comparison with the experimental data. Correlation for helium is good when the well depth and range parameter of the Morse interacting gas potential are chosen to be: a = 1.67 A/sup -1/ and D = 550 cal/mole. The Debye temperature was computed from elastic constants to be 498/sup 0/K.

  10. Misfit accommodation mechanism at the heterointerface between diamond and cubic boron nitride

    PubMed Central

    Chen, Chunlin; Wang, Zhongchang; Kato, Takeharu; Shibata, Naoya; Taniguchi, Takashi; Ikuhara, Yuichi

    2015-01-01

    Diamond and cubic boron nitride (c-BN) are the top two hardest materials on the Earth. Clarifying how the two seemingly incompressible materials can actually join represents one of the most challenging issues in materials science. Here we apply the temperature gradient method to grow the c-BN single crystals on diamond and report a successful epitaxial growth. By transmission electron microscopy, we reveal a novel misfit accommodation mechanism for a {111} diamond/c-BN heterointerface, that is, lattice misfit can be accommodated by continuous stacking fault networks, which are connected by periodically arranged hexagonal dislocation loops. The loops are found to comprise six 60° Shockley partial dislocations. Atomically, the carbon in diamond bonds directly to boron in c-BN at the interface, which electronically induces a two-dimensional electron gas and a quasi-1D electrical conductivity. Our findings point to the existence of a novel misfit accommodation mechanism associated with the superhard materials. PMID:25687399

  11. Misfit accommodation mechanism at the heterointerface between diamond and cubic boron nitride.

    PubMed

    Chen, Chunlin; Wang, Zhongchang; Kato, Takeharu; Shibata, Naoya; Taniguchi, Takashi; Ikuhara, Yuichi

    2015-02-17

    Diamond and cubic boron nitride (c-BN) are the top two hardest materials on the Earth. Clarifying how the two seemingly incompressible materials can actually join represents one of the most challenging issues in materials science. Here we apply the temperature gradient method to grow the c-BN single crystals on diamond and report a successful epitaxial growth. By transmission electron microscopy, we reveal a novel misfit accommodation mechanism for a {111} diamond/c-BN heterointerface, that is, lattice misfit can be accommodated by continuous stacking fault networks, which are connected by periodically arranged hexagonal dislocation loops. The loops are found to comprise six 60° Shockley partial dislocations. Atomically, the carbon in diamond bonds directly to boron in c-BN at the interface, which electronically induces a two-dimensional electron gas and a quasi-1D electrical conductivity. Our findings point to the existence of a novel misfit accommodation mechanism associated with the superhard materials.

  12. Crystalline lens MTF measurement during simulated accommodation

    NASA Astrophysics Data System (ADS)

    Borja, David; Takeuchi, Gaku; Ziebarth, Noel; Acosta, Ana C.; Manns, Fabrice; Parel, Jean-Marie

    2005-04-01

    Purpose: To design and test an optical system to measure the optical quality of post mortem lenses during simulated accommodation. Methods: An optical bench top system was designed to measure the point spread function and calculate the modulation transfer function (MTF) of monkey and human ex-vivo crystalline lenses. The system consists of a super luminescent diode emitting at 850nm, collimated into a 3mm beam which is focused by the ex-vivo lens under test. The intensity distribution at the focus (point spread function) is re-imaged and magnified onto a beam profiler CCD camera. The optical quality in terms of spatial frequency response (modulation transfer function) is calculated by Fourier transform of the point spread function. The system was used on ex-vivo lenses with attached zonules, ciliary body and sclera. The sclera was glued to 8 separate PMMA segments and stretched radial by 5mm on an accommodation simulating lens stretching device. The point spread function was measured for each lens in the relaxed and stretched state for 5 human (ages 38-86 years) and 5 cynomolgus monkey (ages 53 - 67 months) fresh post mortem crystalline lenses. Results: Stretching induced measurable changes in the MTF. The cutoff frequency increased from 54.4+/-13.6 lp/mm unstretched to 59.5+/-21.4 lp/mm stretched in the post-presbyopic human and from 51.9+/-24.7 lp/mm unstretched to 57.7+/-18.5 lp/mm stretched cynomolgus monkey lenses. Conclusion: The results demonstrate the feasibility of measuring the optical quality of ex-vivo human and cynomolgus monkey lenses during simulated accommodation. Additional experiments are underway to quantify changes in optical quality induced by stretching.

  13. Skylab Workshop experience in experiment accommodation

    NASA Technical Reports Server (NTRS)

    Hanlon, W. H.; Hassel, R. R.

    1974-01-01

    This paper examines the experiment support facilities available from the Orbital Workshop (OWS) module of the Skylab. Experiments and associated support provisions have been selected and described to illustrate the various accommodations and degree of complexities involved in the integration of these experiments into the Workshop. The interfaces described start with the simple and proceed to the complex. On the basis of the experience gained in integrating the experiments into the Workshop, conclusions are drawn and suggestions are made on ways to facilitate future experiment operations and at the same time simplify and reduce the cost of integration efforts.

  14. Strain accommodation in inelastic deformation of glasses

    SciTech Connect

    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.

  15. Evolution of a polyphenism by genetic accommodation.

    PubMed

    Suzuki, Yuichiro; Nijhout, H Frederik

    2006-02-03

    Polyphenisms are adaptations in which a genome is associated with discrete alternative phenotypes in different environments. Little is known about the mechanism by which polyphenisms originate. We show that a mutation in the juvenile hormone-regulatory pathway in Manduca sexta enables heat stress to reveal a hidden reaction norm of larval coloration. Selection for increased color change in response to heat stress resulted in the evolution of a larval color polyphenism and a corresponding change in hormonal titers through genetic accommodation. Evidently, mechanisms that regulate developmental hormones can mask genetic variation and act as evolutionary capacitors, facilitating the origin of novel adaptive phenotypes.

  16. 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.

  17. 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...

  18. 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...

  19. 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...

  20. 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...

  1. 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...

  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 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...

  4. 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...

  5. 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…

  6. 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…

  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 108.197 - 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...

  9. 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...

  10. 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...

  11. 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...

  12. 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...

  13. Free molecular collision cross section calculation methods for nanoparticles and complex ions with energy accommodation

    SciTech Connect

    Larriba, Carlos Hogan, Christopher J.

    2013-10-15

    The structures of nanoparticles, macromolecules, and molecular clusters in gas phase environments are often studied via measurement of collision cross sections. To directly compare structure models to measurements, it is hence necessary to have computational techniques available to calculate the collision cross sections of structural models under conditions matching measurements. However, presently available collision cross section methods contain the underlying assumption that collision between gas molecules and structures are completely elastic (gas molecule translational energy conserving) and specular, while experimental evidence suggests that in the most commonly used background gases for measurements, air and molecular nitrogen, gas molecule reemission is largely inelastic (with exchange of energy between vibrational, rotational, and translational modes) and should be treated as diffuse in computations with fixed structural models. In this work, we describe computational techniques to predict the free molecular collision cross sections for fixed structural models of gas phase entities where inelastic and non-specular gas molecule reemission rules can be invoked, and the long range ion-induced dipole (polarization) potential between gas molecules and a charged entity can be considered. Specifically, two calculation procedures are described detail: a diffuse hard sphere scattering (DHSS) method, in which structures are modeled as hard spheres and collision cross sections are calculated for rectilinear trajectories of gas molecules, and a diffuse trajectory method (DTM), in which the assumption of rectilinear trajectories is relaxed and the ion-induced dipole potential is considered. Collision cross section calculations using the DHSS and DTM methods are performed on spheres, models of quasifractal aggregates of varying fractal dimension, and fullerene like structures. Techniques to accelerate DTM calculations by assessing the contribution of grazing gas

  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. [Dissociated near reflex and accommodative convergence excess].

    PubMed

    Gräf, M; Becker, R; Kloss, S

    2004-10-01

    We report on an 8-year-old boy whose near reflex could be elicited exclusively when the left eye was fixing (LF) but not when the right eye was fixing (RF). With RE +1.25/-1.25/169 degrees and LE +1.0/-0.75/24 degrees, the visual acuity was 1.0 OU at 5 m and RE 0.5, LE 1.0 at 0.3 m improving to 1.0 OU by a near addition of 3.0 D. Stereopsis was 100 degrees (Titmus test). The prism and cover test revealed an esophoria of 4 degrees at 5 m. At 3 m there was an esophoria of 6 degrees (RF) and an esotropia of 28 degrees (LF), compensating to an esophoria of 3 degrees (RF/LF) with a near addition of 3.0 D. Accommodation and the pupillary near reaction (OU) were hardly elicitable during RF. During LF, retinoscopy revealed an accommodation of 8 D (OU) and the pupils constricted normally. Correction by bifocal glasses yielded orthotropia with random dot stereopsis at near.

  16. 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.

  17. 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.

  18. 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.

  19. Failure Accommodation Tested in Magnetic Suspension Systems for Rotating Machinery

    NASA Technical Reports Server (NTRS)

    Provenza, Andy J.

    2000-01-01

    The NASA Glenn Research Center at Lewis Field and Texas A&M University are developing techniques for accommodating certain types of failures in magnetic suspension systems used in rotating machinery. In recent years, magnetic bearings have become a viable alternative to rolling element bearings for many applications. For example, industrial machinery such as machine tool spindles and turbomolecular pumps can today be bought off the shelf with magnetically supported rotating components. Nova Gas Transmission Ltd. has large gas compressors in Canada that have been running flawlessly for years on magnetic bearings. To help mature this technology and quiet concerns over the reliability of magnetic bearings, NASA researchers have been investigating ways of making the bearing system tolerant to faults. Since the potential benefits from an oil-free, actively controlled bearing system are so attractive, research that is focused on assuring system reliability and safety is justifiable. With support from the Fast Quiet Engine program, Glenn's Structural Mechanics and Dynamics Branch is working to demonstrate fault-tolerant magnetic suspension systems targeted for aerospace engine applications. The Flywheel Energy Storage Program is also helping to fund this research.

  20. Accommodative lag and fluctuations when optical aberrations are manipulated.

    PubMed

    Gambra, Enrique; Sawides, Lucie; Dorronsoro, Carlos; Marcos, Susana

    2009-06-09

    We evaluated the accommodative response to a stimulus moving from 0 to 6 D following a staircase function under natural, corrected, and induced optical aberrations, using an adaptive-optics (AO) electromagnetic deformable mirror. The accommodative response of the eye (through the mirror) and the change of aberrations were measured on 5 subjects using a Hartmann-Shack wavefront sensor operating at 12.8 Hz. Five conditions were tested: (1) natural aberrations, (2) AO correction of the unaccommodated state and induction (over 6-mm pupils) of (3) +1 microm and (4) -1 microm of spherical aberration and (5) -2 microm of vertical coma. Four subjects showed a better accommodative response with AO correction than with their natural aberrations. The induction of negative spherical aberration also produced a better accommodative response in the same subjects. Accommodative lag increased in all subjects when positive spherical aberration and coma were induced. Fluctuations of the accommodative response (computed during each 1-D period of steady accommodation) increased with accommodative response when high-order aberrations were induced. The largest fluctuations occurred for induced negative spherical aberration and the smallest for natural and corrected aberrations. The study demonstrates that aberrations influence accommodative lag and fluctuations of accommodation and that correcting aberrations improves rather than compromises the accommodative response.

  1. ADAPT: Attention Deficit Accommodation Plan for Teaching. Teacher Accommodation Planbook [and] Student Planbook.

    ERIC Educational Resources Information Center

    Parker, Harvey C.

    This student workbook and accompanying teacher's guide are designed to help children with attention deficit disorders (ADD). The Attention Deficit Accommodation Plan for Teaching (ADAPT) teacher planbook guides the teacher in evaluating the students' areas of difficulty. This evaluation is the basis for the design and implementation of classroom…

  2. Accommodating Your Data: The Use and Misuse of Accommodation Theory in Sociolinguistics.

    ERIC Educational Resources Information Center

    Meyerhoff, Miriam

    1998-01-01

    Argues for a more rigorous application of accommodation theory in sociolinguistics, presenting an example of how such rigor might be pursued in an analysis of conversational Bislama, a creole spoken in the Republic of Vanuatu. Focus is on the link between speakers' identities and their linguistic behavior. (MSE)

  3. 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…

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. The effects of Qi-Qong ocular exercise on accommodation.

    PubMed

    Shih, Y F; Lin, L L; Hwang, C Y; Huang, J K; Hung, P T; Hou, P K

    1995-01-01

    Visual-training methods in management of myopia are suggested as possibly leading to normal vision or an improvement in the refractive state. The purpose of this work was to investigate the hypothesis that a Qi-Qong ocular exercise improves visual function by training the accommodation bias. Variations of pupil size, accommodative amplitude, latency and speed of accommodative response and accommodative adaptation were evaluated objectively. The accommodative state was monitored with an objective infrared refractometer (Nidek AA-2000). Subjects were divided into two groups: experimental (n = 9), and control (n = 8). Subjects of the experimental group undertook the Qi-Qong ocular exercise for at least three years, and were able to perform the exercise smoothly and gently. Subjects of the control group had no knowledge of the Qi-Qong ocular exercise, but were given the same testing procedures as the experimental group. Results showed that Qi-Qong ocular exercise can improve the accommodative amplitude and accelerate the accommodative response slightly, but there was no effect on the latency of accommodative response. Furthermore, the level of accommodative adaptation was elevated, and the pupil became slight miotic. Therefore, the mechanism of visual improvement may undergo a great accommodative adaptation and produce a pinhole effect by miosis of the pupil. Methods of visual training can produce a false image of visual improvement from an enhanced parasympathetic response to a task, but this effect may be a factor that induces progression of myopia.

  9. Regional Sign Language Varieties in Contact: Investigating Patterns of Accommodation.

    PubMed

    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, Manchester, and Newcastle and paired with the same conversational partner. Participants completed a "spot-the-difference" task which elicited a considerable amount of contrasting regionally specific sign data in the participant-confederate dyads. Accommodation was observed during the task with younger signers accommodating more than older signers. The results are interpreted with reference to the relationship between language contact and lexical accommodation in BSL, and address how further studies could help us better understand how contact and accommodation contribute to language change more generally.

  10. Dynamics of Activated Molecules

    SciTech Connect

    Mullin, Amy S.

    2016-11-16

    Experimental studies have been performed to investigate the collisional energy transfer processes of gas-phase molecules that contain large amounts of internal energy. Such molecules are prototypes for molecules under high temperature conditions relevant in combustion and information about their energy transfer mechanisms is needed for a detailed understanding and modeling of the chemistry. We use high resolution transient IR absorption spectroscopy to measure the full, nascent product distributions for collisions of small bath molecules that relax highly vibrationally excited pyrazine molecules with E=38000 cm-1 of vibrational energy. To perform these studies, we developed new instrumentation based on modern IR light sources to expand our experimental capabilities to investigate new molecules as collision partners. This final report describes our research in four areas: the characterization of a new transient absorption spectrometer and the results of state-resolved collision studies of pyrazine(E) with HCl, methane and ammonia. Through this research we have gained fundamental new insights into the microscopic details of relatively large complex molecules at high energy as they undergo quenching collisions and redistribute their energy.

  11. 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)

  12. 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

  13. 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

    SciTech Connect

    Makarov, G N; Petin, A N

    2016-03-31

    We report the results of studies on the isotope-selective infrared multiphoton dissociation (IR MFD) of SF{sub 6} and CF{sub 3}I 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 SF{sub 6} 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. (laser separation of isotopes)

  14. 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.

  15. 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.

  16. Lattice Boltzmann simulation of rarefied gas flows in microchannels

    NASA Astrophysics Data System (ADS)

    Zhang, Yonghao; Qin, Rongshan; Emerson, David R.

    2005-04-01

    For gas flows in microchannels, slip motion at the solid surface can occur even if the Mach number is negligibly small. Since the Knudsen number of the gas flow in a long microchannel can vary widely and the Navier-Stokes equations are not valid for Knudsen numbers beyond 0.1, an alternative method that can be applicable to continuum, slip and transition flow regimes is highly desirable. The lattice Boltzmann equation (LBE) approach has recently been expected to have such potential. However, some hurdles need to be overcome before it can be applied to simulate rarefied gas flows. The first major hurdle is to accurately model the gas molecule and wall surface interactions. In addition, the Knudsen number needs to be clearly defined in terms of LBE properties to ensure that the LBE simulation results can be checked against experimental measurements and other simulation results. In this paper, the Maxwellian scattering kernel is adopted to address the gas molecule and surface interactions with an accommodation coefficient (in addition to the Knudsen number) controlling the amount of slip motion. The Knudsen number is derived consistently with the macroscopic property based definition. The simulation results of the present LBE model are in quantitative agreement with the established theory in the slip flow regime. In the transition flow regime, the model captures the Knudsen minimum phenomenon qualitatively. Therefore, the LBE can be a competitive method for simulation of rarefied gas flows in microdevices.

  17. Effect of Vision Therapy on Accommodation in Myopic Chinese Children

    PubMed Central

    Ma, Martin Ming-Leung; Scheiman, Mitchell; Su, Cuiyun

    2016-01-01

    Introduction. We evaluated the effectiveness of office-based accommodative/vergence therapy (OBAVT) with home reinforcement to improve accommodative function in myopic children with poor accommodative response. Methods. This was a prospective unmasked pilot study. 14 Chinese myopic children aged 8 to 12 years with at least 1 D of lag of accommodation were enrolled. All subjects received 12 weeks of 60-minute office-based accommodative/vergence therapy (OBAVT) with home reinforcement. Primary outcome measure was the change in monocular lag of accommodation from baseline visit to 12-week visit measured by Shinnipon open-field autorefractor. Secondary outcome measures were the changes in accommodative amplitude and monocular accommodative facility. Results. All participants completed the study. The lag of accommodation at baseline visit was 1.29 ± 0.21 D and it was reduced to 0.84 ± 0.19 D at 12-week visit. This difference (−0.46 ± 0.22 D; 95% confidence interval: −0.33 to −0.58 D) is statistically significant (p < 0.0001). OBAVT also increased the amplitude and facility by 3.66 ± 3.36 D (p = 0.0013; 95% confidence interval: 1.72 to 5.60 D) and 10.9 ± 4.8 cpm (p < 0.0001; 95% confidence interval: 8.1 to 13.6 cpm), respectively. Conclusion. Standardized 12 weeks of OBAVT with home reinforcement is able to significantly reduce monocular lag of accommodation and increase monocular accommodative amplitude and facility. A randomized clinical trial designed to investigate the effect of vision therapy on myopia progression is warranted. PMID:28097018

  18. 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)

  19. 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.

  20. Mobius Molecules

    ERIC Educational Resources Information Center

    Eckert, J. M.

    1973-01-01

    Discusses formation of chemical molecules via Mobius strip intermediates, and concludes that many special physics-chemical properties of the fully closed circular form (1) of polyoma DNA are explainable by this topological feature. (CC)

  1. 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

  2. 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.

  3. ATHENA: system studies and optics accommodation

    NASA Astrophysics Data System (ADS)

    Ayre, M.; Bavdaz, M.; Ferreira, I.; Wille, E.; Fransen, S.; Stefanescu, A.; Linder, M.

    2016-07-01

    ATHENA is currently in Phase A, with a view to adoption upon a successful Mission Adoption Review in 2019/2020. After a brief presentation of the reference spacecraft (SC) design, this paper will focus on the functional and environmental requirements, the thermo-mechanical design and the Assembly, Integration, Verification & Test (AIVT) considerations related to housing the Silicon Pore Optics (SPO) Mirror Modules (MM) in the very large Mirror Assembly Module (MAM). Initially functional requirements on the MM accommodation are presented, with the Effective Area and Half Energy Width (HEW) requirements leading to a MAM comprising (depending on final mirror size selected) between 700-1000 MMs, co-aligned with exquisite accuracy to provide a common focus. A preliminary HEW budget allocated across the main error-contributors is presented, and this is then used as a reference to derive subsequent requirements and engineering considerations, including: The procedures and technologies for MM-integration into the Mirror Structure (MS) to achieve the required alignment accuracies in a timely manner; stiffness requirements and handling scheme required to constrain deformation under gravity during x-ray testing; temperature control to constrain thermo-elastic deformation during flight; and the role of the Instrument Switching Mechanism (ISM) in constraining HEW and Effective Area errors. Next, we present the key environmental requirements of the MMs, and the need to minimise shock-loading of the MMs is stressed. Methods to achieve this Ø are presented, including: Selection of a large clamp-band launch vehicle interface (LV I/F); lengthening of the shock-path from the LV I/F to the MAM I/F; modal-tuning of the MAM to act as a low-pass filter during launch shock events; use of low-shock HDRMs for the MAM; and the possibility to deploy a passive vibration solution at the LV I/F to reduce loads.

  4. Accommodation to an Unlikely Episodic State

    PubMed Central

    Clifton, Charles; Frazier, Lyn

    2015-01-01

    Mini-discourses like (ia) seem slightly odd compared to their counterparts containing a conjunction (ib). (i) a. Speaker A: John or Bill left. Speaker B: Sam did too. b. Speaker A: John and Bill left. Speaker B: Sam did too. One possibility is that or in Speaker A's utterance in (ia) raises the potential Question Under Discussion (QUD) whether it was John or Bill who left and Speaker B's reply fails to address this QUD. A different possibility is that the epistemic state of the speaker of (ia) is somewhat unlikely or uneven: the speaker knows that someone left, and that it was John or Bill, but doesn't know which one. The results of four acceptability judgment studies confirmed that (ia) is less good or coherent than (ib) (Experiment 1), but not due to failure to address the QUD implicitly introduced by the disjunction because the penalty for disjunction persisted even in the presence of a different overt QUD (Experiment 2) and even when there was no reply to Speaker A (Experiment 3). The hypothesis that accommodating an unusual epistemic state might underlie the lower acceptability of disjunction was supported by the fact that the disjunction penalty is larger in past tense discourses than in future discourses, where partial knowledge of events is the norm (Experiment 4). The results of an eye tracking study revealed a penalty for disjunction relative to conjunction that was significantly smaller when a lead in (I wonder if it was…) explicitly introduced the disjunction. This interaction (connective X lead in) appeared in early measures on the disjunctive phrase itself, suggesting that the input is related to an inferred epistemic state of the speaker in a rapid and ongoing fashion. PMID:26568651

  5. 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)...

  6. 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... 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 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...

  8. 36 CFR 910.34 - Accommodations for the physically handicapped.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Accommodations for the... § 910.34 Accommodations for the physically handicapped. (a) Every development shall incorporate features... Standard Specifications for Making Buildings and Facilities Accessible to, and Usable by the...

  9. 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…

  10. 46 CFR 127.260 - Ventilation for accommodations.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 4 2014-10-01 2014-10-01 false Ventilation for accommodations. 127.260 Section 127.260... ARRANGEMENTS Particular Construction and Arrangements § 127.260 Ventilation for accommodations. (a) Each... vessel of 100 or more gross tons must be provided with a mechanical ventilation system unless...

  11. 46 CFR 127.260 - Ventilation for accommodations.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 4 2013-10-01 2013-10-01 false Ventilation for accommodations. 127.260 Section 127.260... ARRANGEMENTS Particular Construction and Arrangements § 127.260 Ventilation for accommodations. (a) Each... vessel of 100 or more gross tons must be provided with a mechanical ventilation system unless...

  12. 46 CFR 127.260 - Ventilation for accommodations.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 4 2011-10-01 2011-10-01 false Ventilation for accommodations. 127.260 Section 127.260... ARRANGEMENTS Particular Construction and Arrangements § 127.260 Ventilation for accommodations. (a) Each... vessel of 100 or more gross tons must be provided with a mechanical ventilation system unless...

  13. 46 CFR 127.270 - Location of accommodations and pilothouse.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... accommodations and chain lockers, cargo spaces, or machinery spaces. (f) No sounding tubes, or vents from fuel-oil or cargo-oil tanks may open into accommodations for crew members or offshore workers, except that sounding tubes may open into passageways. (g) No access openings from fuel-oil or cargo-oil tanks may...

  14. 46 CFR 127.270 - Location of accommodations and pilothouse.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... accommodations and chain lockers, cargo spaces, or machinery spaces. (f) No sounding tubes, or vents from fuel-oil or cargo-oil tanks may open into accommodations for crew members or offshore workers, except that sounding tubes may open into passageways. (g) No access openings from fuel-oil or cargo-oil tanks may...

  15. 46 CFR 127.270 - Location of accommodations and pilothouse.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... accommodations and chain lockers, cargo spaces, or machinery spaces. (f) No sounding tubes, or vents from fuel-oil or cargo-oil tanks may open into accommodations for crew members or offshore workers, except that sounding tubes may open into passageways. (g) No access openings from fuel-oil or cargo-oil tanks may...

  16. 46 CFR 127.270 - Location of accommodations and pilothouse.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... accommodations and chain lockers, cargo spaces, or machinery spaces. (f) No sounding tubes, or vents from fuel-oil or cargo-oil tanks may open into accommodations for crew members or offshore workers, except that sounding tubes may open into passageways. (g) No access openings from fuel-oil or cargo-oil tanks may...

  17. 46 CFR 154.325 - Accommodation, service, and control spaces.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 5 2012-10-01 2012-10-01 false Accommodation, service, and control spaces. 154.325 Section 154.325 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS... system, required by this part to have a secondary barrier, is separated from any accommodation,...

  18. Evaluating Computer-Based Test Accommodations for English Learners

    ERIC Educational Resources Information Center

    Roohr, Katrina Crotts; Sireci, Stephen G.

    2017-01-01

    Test accommodations for English learners (ELs) are intended to reduce the language barrier and level the playing field, allowing ELs to better demonstrate their true proficiencies. Computer-based accommodations for ELs show promising results for leveling that field while also providing us with additional data to more closely investigate the…

  19. 46 CFR 127.270 - Location of accommodations and pilothouse.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... Section 127.270 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OFFSHORE SUPPLY VESSELS... waterline. (d) No hawse pipe or chain pipe may pass through accommodations for crew members or offshore... accommodations and chain lockers, cargo spaces, or machinery spaces. (f) No sounding tubes, or vents from...

  20. 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...

  1. 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…

  2. 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...

  3. 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...

  4. 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...

  5. 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,…

  6. Accommodating World Englishes in Developing EFL Learners' Oral Communication

    ERIC Educational Resources Information Center

    Mukminatien, Nur

    2012-01-01

    This article aims to discuss issues of World Englishes (WEs) and the implications in ELT. It explores the extent to which WEs are taken into account as emerging English varieties different from inner circle varieties, how WEs should be accommodated by English teachers, and which standard to adopt to accommodate learner's linguistic needs for…

  7. School Boarding Accommodation. A Design Guide. Building Bulletin 84.

    ERIC Educational Resources Information Center

    Wilson, Jeremy; Lloyd-Jones, Liz; Carden, Tom; Daniels, Richard; Fitzgerald, Brian; Maddick, Jenny

    This bulletin contains on-statutory guidance describing good practice and its implications for boarding accommodation to assist those responsible for briefing and designing boarding accommodations across all school sectors. It offers practical advice and illustrates examples that reflect changes in provision which are thought to be acceptable and…

  8. 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…

  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. 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…

  11. 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…

  12. Impact of Workstation Accommodation on Fatigue and Performance

    DTIC Science & Technology

    2006-12-01

    this study. The present research focuses on the biodynamic impact of anthropometric accommodation of a dual- monitor computer workstation on an...Biometric Response Cognitive Response Good Anthropometric Accommodation Sustainable & Optimal Muscular...Activity, Low Levels of Subjective Discomfort Sustainable & Optimal Levels of Cerebral Oxygenation & Cognitive Performance Poor Anthropometric

  13. 14 CFR 1204.1510 - Efforts to accommodate intergovernmental concerns.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Efforts to accommodate intergovernmental concerns. 1204.1510 Section 1204.1510 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION... Programs and Activities § 1204.1510 Efforts to accommodate intergovernmental concerns. (a) If a...

  14. 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.…

  15. 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...

  16. 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...

  17. 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...

  18. 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...

  19. 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.

  20. High resolution UV resonance enhanced two-photon ionization spectroscopy with mass selection of biologically relevant molecules in the gas phase

    NASA Astrophysics Data System (ADS)

    Chervenkov, S.; Wang, P. Q.; Karaminkov, R.; Chakraborty, T.; Braun, Juergen E.; Neusser, Hans J.

    2005-04-01

    The high resolution Doppler-free resonance-enhanced two-photon ionization (R2PI) spectroscopy with mass selection of jet-cooled (2-12 K) molecular species is a powerful experimental method providing comprehensive information on both isolated molecules and molecular clusters. We have demonstrated for the first time that this technique can be applied to large molecules and provides detailed information on their conformational structure. It allows rotationally resolved (FWHM = 70 MHz) spectra of the vibronic bands of the S1<--S0 electronic transition of the studied molecular systems to be measured. A specially designed computer-assisted fitting routine based on genetic algorithms is used to determine their rotational constants in the ground and excited electronic states, respectively, and the transition moment ratio. To interpret the experimental information and to discriminate and unambiguously assign the observed approach to the study of the neurotransmitter molecule, ephedrine. The results elucidate the role of the intramolecular hydrogen bonds stabilizing the respective conformations and affecting their intrinsic properties.

  1. 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

  2. Accommodating electric propulsion on SMART-1

    NASA Astrophysics Data System (ADS)

    Kugelberg, Joakim; Bodin, Per; Persson, Staffan; Rathsman, Peter

    2004-07-01

    how the problems related to the accommodation of electric propulsion have been solved during design and planning of the project.

  3. Critical lines for an unequal size of molecules in a binary gas-liquid mixture around the van Laar point using the combination of the Tompa model and the van der Waals equation.

    PubMed

    Gençaslan, Mustafa; Keskin, Mustafa

    2012-02-14

    We combine the modified Tompa model with the van der Waals equation to study critical lines for an unequal size of molecules in a binary gas-liquid mixture around the van Laar point. The van Laar point is coined by Meijer and it is the only point at which the mathematical double point curve is stable. It is the intersection of the tricritical point and the double critical end point. We calculate the critical lines as a function of χ(1) and χ(2), the density of type I molecules and the density of type II molecules for various values of the system parameters; hence the global phase diagrams are presented and discussed in the density-density plane. We also investigate the connectivity of critical lines at the van Laar point and its vicinity and discuss these connections according to the Scott and van Konynenburg classifications. It is also found that the critical lines and phase behavior are extremely sensitive to small modifications in the system parameters.

  4. Gas sensing at the nanoscale: engineering SWCNT-ITO nano-heterojunctions for the selective detection of NH3 and NO2 target molecules

    NASA Astrophysics Data System (ADS)

    Rigoni, F.; Drera, G.; Pagliara, S.; Perghem, E.; Pintossi, C.; Goldoni, A.; Sangaletti, L.

    2017-01-01

    The gas response of single-wall carbon nanotubes (SWCNT) functionalized with indium tin oxide (ITO) nanoparticles (NP) has been studied at room temperature and an enhanced sensitivity to ammonia and nitrogen dioxide is demonstrated. The higher sensitivity in the functionalized sample is related to the creation of nano-heterojunctions at the interface between SWCNT bundles and ITO NP. Furthermore, the different response of the two devices upon NO2 exposure provides a way to enhance also the selectivity. This behavior is rationalized by considering a gas sensing mechanism based on the build-up of space-charge layers at the junctions. Finally, full recovery of the signal after exposure to NO2 is achieved by UV irradiation for the functionalized sample, where the ITO NP can play a role to hinder the poisoning effects on SWCNT due to NO2 chemisorption.

  5. Gas sensing at the nanoscale: engineering SWCNT-ITO nano-heterojunctions for the selective detection of NH3 and NO2 target molecules.

    PubMed

    Rigoni, F; Drera, G; Pagliara, S; Perghem, E; Pintossi, C; Goldoni, A; Sangaletti, L

    2017-01-20

    The gas response of single-wall carbon nanotubes (SWCNT) functionalized with indium tin oxide (ITO) nanoparticles (NP) has been studied at room temperature and an enhanced sensitivity to ammonia and nitrogen dioxide is demonstrated. The higher sensitivity in the functionalized sample is related to the creation of nano-heterojunctions at the interface between SWCNT bundles and ITO NP. Furthermore, the different response of the two devices upon NO2 exposure provides a way to enhance also the selectivity. This behavior is rationalized by considering a gas sensing mechanism based on the build-up of space-charge layers at the junctions. Finally, full recovery of the signal after exposure to NO2 is achieved by UV irradiation for the functionalized sample, where the ITO NP can play a role to hinder the poisoning effects on SWCNT due to NO2 chemisorption.

  6. Search for evidence of life in space: analysis of enantiomeric organic molecules by N,N-dimethylformamide dimethylacetal derivative dependant Gas Chromatography-Mass Spectrometry.

    PubMed

    Freissinet, C; Buch, A; Sternberg, R; Szopa, C; Geffroy-Rodier, C; Jelinek, C; Stambouli, M

    2010-01-29

    Within the context of the future space missions to Mars (MSL 2011 and Exomars 2016), which aim at searching for traces of life at the surface, the detection and quantitation of enantiomeric organic molecules is of major importance. In this work, we have developed and optimized a method to derivatize and analyze chiral organic molecules suitable for space experiments, using N,N-dimethylformamide dimethylacetal (DMF-DMA) as the derivatization agent. The temperature, duration of the derivatization reaction, and chromatographic separation parameters have been optimized to meet instrument design constraints imposed upon space experiment devices. This work demonstrates that, in addition to its intrinsic qualities, such as production of light-weight derivatives and a great resistance to drastic operating conditions, DMF-DMA facilitates simple and fast derivatization of organic compounds (three minutes at 140 degrees C in a single-step) that is suitable for an in situ analysis in space. By using DMF-DMA as the derivatization agent, we have successfully identified 19 of the 20 proteinic amino acids and been able to enantiomerically separate ten of the potential 19 (glycine being non-chiral). Additionally, we have minimized the percentage of racemized amino acid compounds produced by optimizing the conditions of the derivatization reaction itself. Quantitative linearity studies and the determination of the limit of detection show that the proposed method is also suitable for the quantitative determination of both enantiomeric forms of most of the tested amino acids, as limits of detection obtained are lower than the ppb level of organic molecules already detected in Martian meteorites.

  7. 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.

  8. 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.

  9. 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.

  10. Broadband Microwave Spectroscopy as a Tool to Study the Structures of Odorant Molecules and Weakly Bound Complexes in the Gas Phase

    NASA Astrophysics Data System (ADS)

    Zinn, Sabrina; Betz, Thomas; Medcraft, Chris; Schnell, Melanie

    2015-06-01

    The rotational spectrum of trans-cinnamaldehyde ((2E)-3-phenylprop-2-enal) has been obtained with chirped-pulse microwave spectroscopy in the frequency range of 2 - 8.5 GHz. The odorant molecule is the essential component in cinnamon oil and causes the characteristic smell. In the measured high-resolution spectrum, we were able to assign the rotational spectra of two conformers of trans-cinnamaldehyde as well as all singly 13C-substituted species of the lowest-energy conformer in natural abundance. Two different methods were used to determine the structure from the rotational constants, which will be compared within this contribution. In addition, the current progress of studying ether-alcohol complexes, aiming at an improved understanding of the interplay between hydrogen bonding and dispersion interaction, will be reported. Here, a special focus is placed on the complexes of diphenylether with small aliphatic alcohols.

  11. The relationship between instructional and assessment accommodations in an inclusive state accountability system.

    PubMed

    Ysseldyke, J; Thurlow, M; Bielinski, J; House, A; Moody, M; Haigh, J

    2001-01-01

    We investigated the kinds of instructional and assessment accommodations students with disabilities receive, and the extent to which instructional accommodations match assessment accommodations. Most students who had IEPs in specific content areas received instructional accommodations in those areas, and there were no differences by disability type. We provide data on the specific types of accommodations used. Overall, students' assessment accommodations matched their instructional accommodations, though many students received testing accommodations that had not been received in instruction. Implications are discussed for IEP teams who make decisions about instructional and assessment accommodations.

  12. Electron-induced damage of biotin studied in the gas phase and in the condensed phase at a single-molecule level

    NASA Astrophysics Data System (ADS)

    Keller, Adrian; Kopyra, Janina; Gothelf, Kurt V.; Bald, Ilko

    2013-08-01

    Biotin is an essential vitamin that is, on the one hand, relevant for the metabolism, gene expression and in the cellular response to DNA damage and, on the other hand, finds numerous applications in biotechnology. The functionality of biotin is due to two particular sub-structures, the ring structure and the side chain with carboxyl group. The heterocyclic ring structure results in the capability of biotin to form strong intermolecular hydrogen and van der Waals bonds with proteins such as streptavidin, whereas the carboxyl group can be employed to covalently bind biotin to other complex molecules. Dissociative electron attachment (DEA) to biotin results in a decomposition of the ring structure and the carboxyl group, respectively, within resonant features in the energy range 0-12 eV, thereby preventing the capability of biotin for intermolecular binding and covalent coupling to other molecules. Specifically, the fragment anions (M-H)-, (M-O)-, C3N2O-, CH2O2-, OCN-, CN-, OH- and O- are observed, and exemplarily the DEA cross section of OCN- formation is determined to be 3 × 10-19 cm2. To study the response of biotin to electrons within a complex condensed environment, we use the DNA origami technique and determine a dissociation yield of (1.1 ± 0.2) × 10-14 cm2 at 18 eV electron energy, which represents the most relevant energy for biomolecular damage induced by secondary electrons. The present results thus have important implications for the use of biotin as a label in radiation experiments.

  13. Low symmetry in molecules with heavy peripheral atoms. The gas-phase structure of perfluoro(methylcyclohexane), C6F11CF3.

    PubMed

    Kafka, Graeme R; Masters, Sarah L; Wann, Derek A; Robertson, Heather E; Rankin, David W H

    2010-10-21

    When refining structures using gas electron diffraction (GED) data, assumptions are often made in order to reduce the number of required geometrical parameters. Where these relate to light, peripheral atoms there is little effect on the refined heavy-atom structure, which is well defined by the GED data. However, this is not the case when heavier atoms are involved. We have determined the gas-phase structure of perfluoro(methylcyclohexane), C(6)F(11)CF(3), using three different refinement methods and have shown that our new method, which makes use of both MP2 and molecular mechanics (MM) calculations to restrain the peripheral-atom geometry, gives a realistic structure without the need for damaging constraints. Only the conformer with the CF(3) group in an equatorial position was considered, as ab initio calculations showed this to be 25 kJ mol(-1) lower in energy than the axial conformer. Refinements combining both high-level and low-level calculations to give constraints were superior both to those based only on molecular mechanics and to those in which assumptions about the geometry were imposed.

  14. Visual Accommodation, the Mandelbaum Effect, and Apparent Size.

    DTIC Science & Technology

    1979-11-01

    monkeys were awakened, accommodation immediately went to a far distance, followed by accurate accommodation to the - ambient stimuli. Similarly... ambient stimulation is present. Morgan (1957) proposes - two possible conditions in which visual stimuli are reduced to the minimum--in complete darkness...oj Physiology, 1941, 12, 720-733. Otero, J. M. and Duran, Continuacion del estudio de la miopia nocturna. Anales de i y Quimica , 1942, 38, 236-248

  15. Caffeine intake is associated with pupil dilation and enhanced accommodation.

    PubMed

    Abokyi, S; Owusu-Mensah, J; Osei, K A

    2017-04-01

    PurposeIt is purported that caffeine, an autonomic stimulant, affects visual performance. This study sought to assess whether caffeine intake was associated with changes in pupil size and/or amplitude of accommodation.Patients and methodsA double-masked, crossover study was conducted in 50 healthy subjects of age range 19 to 25 years. Subjects were randomized to treatments such that subjects consumed either 250 mg caffeine drink or vehicle on separate days. Amplitude of accommodation was measured by the push-up technique, and pupil size using a millimeter ruler fixed to a slit lamp biomicroscope in dim illumination (5 lux). Amplitude of accommodation and pupil size were taken at baseline, and at 30, 60 and 90 min time points post treatment. Repeated measures one-way ANOVA and paired t-test were used in analyzing data.ResultsAmplitude of accommodation and pupil size after caffeine intake were significantly greater than vehicle (P<0.001) at each time point. Consumption of the caffeine beverage was associated with significant increases in amplitude of accommodation and pupil size with time (P<0.001). Amplitude of accommodation rose from 12.4 (±2.2 D) at baseline to 15.8(±2.6 D) at 90 min. Similarly, pupil size increased from 3.4 (±0.4 mm) at baseline to 4.5 (±0.72 mm) at 90 min. Consumption of vehicle was not associated with increase in amplitude of accommodation or pupil size with time.ConclusionPupil size and accommodation are affected after ingestion of caffeine. This study suggests caffeine may have some influence on visual functions.

  16. Thermophoresis of a Small Evaporating Particle in a High-Temperature Diatomic Gas

    PubMed

    Chen

    1997-07-15

    Kinetic-theory analytical results are presented concerning the effect of intense evaporation on the thermophoretic force acting on a spherical particle suspended in a high-temperature diatomic gas for the case of free-molecule regime. Molecule dissociation and atom recombination are included in the analysis. It has been shown that evaporation may substantially enhance the thermophoretic force acting on a particle, especially for the case of the particle materials with low evaporation latent heat and small molecular weight and at high gas temperatures. The values of the effective atomic and molecular thermal-accommodation factors do not affect the thermophoretic force acting on a nonevaporating particle, but they affect significantly the evaporation-added thermophoretic force. It has been shown that the recombination fraction of atoms at the particle surface does not influence the thermophoresis.

  17. Accommodation of Symptoms in Anorexia Nervosa: A Qualitative Study.

    PubMed

    Fox, John R E; Whittlesea, Anna

    2016-06-17

    Anorexia nervosa (AN) continues to remain poorly understood within eating disorders. Recent research and theory have moved away from understanding its aetiological causes, addressing instead potential maintaining factors. This study is focused on interpersonal maintenance factors: the response of close others. Relatives of those with AN typically carry the main burden of care, and research has found high levels of carer distress and unmet needs. Recent theories have proposed this emotional impact to contribute to expressed emotion and other unhelpful caregiver interactions which inadvertently maintain AN. One such understudied response is accommodation, described as a 'process' whereby caregivers 'assist or participate' in symptomatic behaviours of the cared for individual. There is a dearth of research relating to accommodation within eating disorders, particularly qualitative accounts. This study utilized a grounded theory methodology to explore caregivers' responses to managing AN, focusing particularly on carers' experience of accommodation. Eight participants with experience of caring for an individual diagnosed with AN were interviewed. Participants were recruited from a national eating disorder charity and regional eating disorder service. A number of themes emerged, including the importance of caregivers' emotional resources in mediating accommodation responses. Low-perceived efficacy over AN contributed to caregiver burnout. Decreased emotional resources influenced a shift in caregiving aims conducive with accommodation. Nevertheless, carers perceived accommodation as counterproductive to recovery and consequently experienced internal conflict (cognitive dissonance). Dissonance was reduced using a number of cognitive and behavioural strategies. The implications of these findings are discussed with reference to existing literature. Copyright © 2016 John Wiley & Sons, Ltd.

  18. Development of seating accommodation models for soldiers in vehicles.

    PubMed

    Zerehsaz, Yaser; Jin, Jionghua Judy; Ebert, Sheila M; Reed, Matthew P

    2017-04-01

    Data from a previous study of soldier driving postures and seating positions were analysed to develop statistical models for defining accommodation of driver seating positions in military vehicles. Regression models were created for seating accommodation applicable to driver positions with a fixed heel point and a range of steering wheel locations in typical tactical vehicles. The models predict the driver-selected seat position as a function of population anthropometry and vehicle layout. These models are the first driver accommodation models considering the effects of body armor and body-borne gear. The obtained results can benefit the design of military vehicles, and the methods can also be extended to be utilised in the development of seating accommodation models for other driving environments where protective equipment affects driver seating posture, such as vehicles used by law-enforcement officers and firefighters. Practitioner Summary: A large-scale laboratory study of soldier driving posture and seating position was designed to focus on tactical vehicle (truck) designs. Regression techniques are utilised to develop accommodation models suitable for tactical vehicles. These are the first seating accommodation models based on soldier data to consider the effects of personal protective equipment and body-borne gear.

  19. Experimental study of shock-wave reflection from a thermally accommodating wall.

    NASA Technical Reports Server (NTRS)

    Hanson, R. K.

    1973-01-01

    Shock-tube experiments have been conducted to study the nonequilibrium gas-surface interaction which occurs when a thick shock wave in argon reflects from a coplanar, heat-conducting wall. Fast-response instrumentation was used to monitor variations in temperature and normal stress on the surface of the shock-tube end wall during and immediately following reflection of the incident shock wave. The laboratory observations are compared with computer predictions obtained by Deiwert using the direct-simulation Monte Carlo method, and excellent agreement is obtained when a suitable average thermal accommodation coefficient is chosen for the wall surface.

  20. In situ analysis of martian regolith with the SAM experiment during the first mars year of the MSL mission: Identification of organic molecules by gas chromatography from laboratory measurements

    NASA Astrophysics Data System (ADS)

    Millan, M.; Szopa, C.; Buch, A.; Coll, P.; Glavin, D. P.; Freissinet, C.; Navarro-Gonzalez, R.; François, P.; Coscia, D.; Bonnet, J. Y.; Teinturier, S.; Cabane, M.; Mahaffy, P. R.

    2016-09-01

    The Sample Analysis at Mars (SAM) instrument onboard the Curiosity rover, is specifically designed for in situ molecular and isotopic analyses of martian surface materials and atmosphere. It contributes to the Mars Science Laboratory (MSL) missions primary scientific goal to characterize the potential past, present or future habitability of Mars. In all of the analyses of solid samples delivered to SAM so far, chlorinated organic compounds have been detected above instrument background levels and identified by gas chromatography coupled to mass spectrometry (GC-MS) (Freissinet et al., 2015; Glavin et al., 2013). While some of these may originate from reactions between oxychlorines and terrestrial organic carbon present in the instrument background (Glavin et al., 2013), others have been demonstrated to originate from indigenous organic carbon present in samples (Freissinet et al., 2015). We present here laboratory calibrations that focused on the analyses performed with the MXT-CLP GC column (SAM GC-5 channel) used for nearly all of the GC-MS analyses of the martian soil samples carried out with SAM to date. Complementary to the mass spectrometric data, gas chromatography allows us to separate and identify the species analyzable in a nominal SAM-GC run time of about 21 min. To characterize the analytical capabilities of this channel within the SAM Flight Model (FM) operating conditions on Mars, and their implications on the detection of organic matter, it is required to perform laboratory experimental tests and calibrations on spare model components. This work assesses the SAM flight GC-5 column efficiency, confirms the identification of the molecules based on their retention time, and enables a better understanding of the behavior of the SAM injection trap (IT) and its release of organic molecules. This work will enable further optimization of the SAM-GC runs for additional samples to be analyzed during the MSL mission.

  1. Fission gas in thoria

    NASA Astrophysics Data System (ADS)

    Kuganathan, Navaratnarajah; Ghosh, Partha S.; Galvin, Conor O. T.; Arya, Ashok K.; Dutta, Bijon K.; Dey, Gautam K.; Grimes, Robin W.

    2017-03-01

    The fission gases Xe and Kr, formed during normal reactor operation, are known to degrade fuel performance, particularly at high burn-up. Using first-principles density functional theory together with a dispersion correction (DFT + D), in ThO2 we calculate the energetics of neutral and charged point defects, the di-vacancy (DV), different neutral tri-vacancies (NTV), the charged tetravacancy (CTV) defect cluster geometries and their interaction with Xe and Kr. The most favourable incorporation point defect site for Xe or Kr in defective ThO2 is the fully charged thorium vacancy. The lowest energy NTV in larger supercells of ThO2 is NTV3, however, a single Xe atom is most stable when accommodated within a NTV1. The di-vacancy (DV) is a significantly less favoured incorporation site than the NTV1 but the CTV offers about the same incorporation energy. Incorporation of a second gas atom in a NTV is a high energy process and more unfavourable than accommodation within an existing Th vacancy. The bi-NTV (BNTV) cluster geometry studied will accommodate one or two gas atoms with low incorporation energies but the addition of a third gas atom incurs a high energy penalty. The tri-NTV cluster (TNTV) forms a larger space which accommodates three gas atoms but again there is a penalty to accommodate a fourth gas atom. By considering the energy to form the defect sites, solution energies were generated showing that in ThO2-x the most favourable solution equilibrium site is the NTV1 while in ThO2 it is the DV.

  2. 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.

  3. A selected ion flow tube study of the reactions of NO + and O + 2 ions with some organic molecules: The potential for trace gas analysis of air

    NASA Astrophysics Data System (ADS)

    Španěl, Patrik; Smith, David

    1996-02-01

    A study has been carried out using our selected ion flow tube apparatus of the reactions of NO+ and O+2 ions in their vibronic ground states with ten organic species: the hydrocarbons, benzene, toluene, isoprene, cyclopropane, and n-pentane; the oxygen-containing organics, methanol, ethanol, acetaldehyde, acetone, and diethyl ether. The major objectives of this work are, on the one hand, to fully understand the processes involved in these reactions and, on the other hand, to explore the potential of NO+ and O+2 as chemical ionization agents for the analysis of trace gases in air and on human breath. Amongst the NO+ reactions, charge transfer, hydride-ion transfer, and termolecular association occur, and the measured rate coefficients, k, for the reactions vary from immeasurably small to the maximum value, collisional rate coefficient, kc. The O+2 reactions are all fast, in each case the k being equal to or an appreciable fraction of kc, and charge transfer producing the parent organic ion or dissociative charge transfer resulting in two or three fragments of the parent ion are the reaction processes that occur. We conclude from these studies, and from previous studies, that NO+ ions and O+2 ions can be used to great effect as chemical ionization agents for trace gas analysis, especially in combination with H3O+ ions which we now routinely use for this purpose.

  4. Gas-Sensing Devices Based on Zn-Doped NiO Two-Dimensional Grainy Films with Fast Response and Recovery for Ammonia Molecule Detection.

    PubMed

    Wang, Jian; Wei, Xiaowei; Wangyang, Peihua

    2015-12-01

    Zn-doped NiO two-dimensional grainy films on glass substrates are shown to be an ammonia-sensing material with excellent comprehensive performance, which could real-time detect and monitor ammonia (NH3) in the surrounding environment. The morphology and structure analysis indicated that the as-fabricated semiconductor films were composed of particles with diameters ranging from 80 to 160 nm, and each particle was composed of small crystalline grain with a narrow size about 20 nm, which was the face-centered cubic single crystal structure. X-ray diffraction peaks shifted toward lower angle, and the size of the lattice increased compared with undoped NiO, which demonstrated that zinc ions have been successfully doped into the NiO host structure. Simultaneously, we systematically investigated the gas-sensing properties of the Zn-doped NiO sensors for NH3 detection at room temperature. The sensor based on doped NiO sensing films gave four to nine times faster response and four to six times faster recovery speeds than those of sensor with undoped NiO films, which is important for the NiO sensor practical applications. Moreover, we found that the doped NiO sensors owned outstanding selectivity toward ammonia.

  5. First application of mass spectrometry and gas chromatography in investigation of α-cellulose hydrolysates: the influence of climate changes on glucose molecules in pine tree-rings.

    PubMed

    Sensuła, Barbara M; Pazdur, Anna; Marais, Marie-France

    2011-02-28

    We present the first results of the quantitative and qualitative gas chromatographic and isotope ratio mass spectrometric analysis of monosaccharides derived from acid hydrolysis of α-cellulose extracted from annual pine tree-rings. The conifers investigated in this study grew in the Niepolomice Forest in Poland, and the annual rings covered the time span from 1940 to 2000 AD. The main components of the α-cellulose samples were two saccharides: glucose and mannose. The amount of glucose in the annual rings varied between 17 and 44%. The δ(13)C of glucose was found to be less negative than that of α-cellulose and the δ(18)O values in glucose were less positive than those in α-cellulose. The content of monosaccharides in the α-cellulose samples has an influence on the isotope fractionation factors. The values of the carbon isotope fractionation factor increase with an increase in the monosaccharides concentration in α-cellulose, while the values of the oxygen isotope fractionation factor decrease with an increase in monosaccharides concentration in α-cellulose. The challenge is to establish, with respect to climate changes and environmental conditions, the significance of the interannual variations in the observed monosaccharide concentration.

  6. Explicit solvent simulations of the aqueous oxidation potential and reorganization energy for neutral molecules: gas phase, linear solvent response, and non-linear response contributions.

    PubMed

    Guerard, Jennifer J; Tentscher, Peter R; Seijo, Marianne; Samuel Arey, J

    2015-06-14

    First principles simulations were used to predict aqueous one-electron oxidation potentials (Eox) and associated half-cell reorganization energies (λaq) for aniline, phenol, methoxybenzene, imidazole, and dimethylsulfide. We employed quantum mechanical/molecular mechanical (QM/MM) molecular dynamics (MD) simulations of the oxidized and reduced species in an explicit aqueous solvent, followed by EOM-IP-CCSD computations with effective fragment potentials for diabatic energy gaps of solvated clusters, and finally thermodynamic integration of the non-linear solvent response contribution using classical MD. A priori predicted Eox and λaq values exhibit mean absolute errors of 0.17 V and 0.06 eV, respectively, compared to experiment. We also disaggregate Eox into several well-defined free energy properties, including the gas phase adiabatic free energy of ionization (7.73 to 8.82 eV), the solvent-induced shift in the free energy of ionization due to linear solvent response (-2.01 to -2.73 eV), and the contribution from non-linear solvent response (-0.07 to -0.14 eV). The linear solvent response component is further apportioned into contributions from the solvent-induced shift in vertical ionization energy of the reduced species (ΔVIEaq) and the solvent-induced shift in negative vertical electron affinity of the ionized species (ΔNVEAaq). The simulated ΔVIEaq and ΔNVEAaq are found to contribute the principal sources of uncertainty in computational estimates of Eox and λaq. Trends in the magnitudes of disaggregated solvation properties are found to correlate with trends in structural and electronic features of the solute. Finally, conflicting approaches for evaluating the aqueous reorganization energy are contrasted and discussed, and concluding recommendations are given.

  7. Vibrational wave packets: Molecular state reconstruction in the gas phase and mixed quantum/semiclassical descriptions of small-molecule dynamics in low-temperature solid media

    NASA Astrophysics Data System (ADS)

    Chapman, Craig Thomas

    We explore the reconstruction of B-state vibrational wave packets in I2 from simulated two-color nonlinear wave packet interferometry data. As a simplification of earlier proposals, we make use of different vibrational energy ranges in the B-state---rather than different electronic potential surfaces---for the short-pulse preparation and propagation of both target and reference wave packets. Numerical results from noisy interferograms indicate that experimental reconstruction should be possible with high fidelity (>0.99). Time-resolved coherent nonlinear optical experiments on small molecules in low-temperature host crystals are exposing valuable information on quantum mechanical dynamics in condensed media. We make use of generic features of these systems to frame two simple, comprehensive theories that will enable the efficient calculation of their ultrafast spectroscopic signals and support their interpretation in terms of the underlying chemical dynamics. Both treatments rely on the identification of normal coordinates to unambiguously partition the well-structured guest-host complex into a system and a bath and expand the overall wave function as a sum of product states between fully anharmonic vibrational basis states for the system and approximate Gaussian wave packets for the bath degrees of freedom. The theories exploit the fact that ultrafast experiments typically drive large-amplitude motion in a few intramolecular degrees of freedom of higher frequency than the crystal phonons, while these intramolecular vibrations indirectly induce smaller-amplitude---but still perhaps coherent---motion among the lattice modes. The equations of motion for the time-dependent parameters of the bath wave packets are fairly compact in a fixed vibrational basis/Gaussian bath (FVB/GB) approach. An alternative adiabatic vibrational basis/Gaussian bath (AVB/GB) treatment leads to more complicated equations of motion involving adiabatic and nonadiabatic vector potentials

  8. Polyport atmospheric gas sampler

    DOEpatents

    Guggenheim, S. Frederic

    1995-01-01

    An atmospheric gas sampler with a multi-port valve which allows for multi, sequential sampling of air through a plurality of gas sampling tubes mounted in corresponding gas inlet ports. The gas sampler comprises a flow-through housing which defines a sampling chamber and includes a gas outlet port to accommodate a flow of gases through the housing. An apertured sample support plate defining the inlet ports extends across and encloses the sampling chamber and supports gas sampling tubes which depend into the sampling chamber and are secured across each of the inlet ports of the sample support plate in a flow-through relation to the flow of gases through the housing during sampling operations. A normally closed stopper means mounted on the sample support plate and operatively associated with each of the inlet ports blocks the flow of gases through the respective gas sampling tubes. A camming mechanism mounted on the sample support plate is adapted to rotate under and selectively lift open the stopper spring to accommodate a predetermined flow of gas through the respective gas sampling tubes when air is drawn from the housing through the outlet port.

  9. Accommodation and pupil responses to random-dot stereograms.

    PubMed

    Suryakumar, Rajaraman; Allison, Robert

    2016-01-01

    We investigated the dynamics of accommodative and pupillary responses to random-dot stereograms presented in crossed and uncrossed disparity in six visually normal young adult subjects (mean age=25.8±3.1 years). Accommodation and pupil measures were monitored monocularly with a custom built photorefraction system while subjects fixated at the center of a random-dot stereogram. On each trial, the stereogram initially depicted a flat plane and then changed to depict a sinusoidal corrugation in depth while fixation remained constant. Increase in disparity specified depth resulted in pupil constriction during both crossed and uncrossed disparity presentations. The change in pupil size between crossed and uncrossed disparity conditions was not significantly different (p>0.05). The change in pupil size was also accompanied by a small concomitant increase in accommodation. In addition, the dynamic properties of pupil responses varied as a function of their initial (starting) diameter. The finding that accommodation and pupil responses increased with disparity regardless of the sign of retinal disparity suggests that these responses were driven by apparent depth rather than shifts in mean simulated distance of the stimulus. Presumably the need for the increased depth of focus when viewing stimuli extended in depth results in pupil constriction which also results in a concomitant change in accommodation. Starting position effects in pupil response confirm the non-linearity in the operating range of the pupil.

  10. Short-term induction of assimilation and accommodation.

    PubMed

    Leipold, Bernhard; Bermeitinger, Christina; Greve, Werner; Meyer, Birgit; Arnold, Manuel; Pielniok, Marianna

    2014-01-01

    The dual-process model of developmental regulation distinguishes two processes of self-regulation (assimilation = tenacious goal pursuit, and accommodation = flexible goal adjustment) that depend on differing conditions, but both contribute to successful development. Four experiments were conducted to investigate whether assimilation and accommodation can be induced or at least shifted by sensorimotor and cognitive manipulations. Experiment 1 investigated the relation between body manipulation and self-regulation. It was shown that assimilation could be triggered when participants were asked to hold on to golf balls as compared to being asked to drop them. Experiment 2 showed that a semantic priming of "let go" or "hold on" via instructions influenced the processes of self-regulation. Experiment 3 and Experiment 4 investigated the role of cognitive sets (divergent thinking) and motivational processes (thinking about one's action resources) in enhancing accommodation or assimilation. As expected, accommodation was triggered by an intervention activating divergent thought, and participants were more assimilative when they thought about their action resources. In sum, the results indicate that assimilation and accommodation can be induced experimentally; they were systematically dependent on physical, cognitive, and motivational states. The implications of the findings were discussed in the light of the dual-process model.

  11. Wall boundary equations with slip and catalysis for multicomponent, nonequilibrium gas flows

    NASA Technical Reports Server (NTRS)

    Scott, C. D.

    1973-01-01

    Boundary equations obtained for a low Reynolds number, high enthalpy gas flow in regions of velocity slip and temperature jump are presented. The formulation treats, through a first-order distribution function used to include multicomponent diffusion, a multicomponent gas mixture that may be in nonequilibrium with finite-rate catalytic recombination occurring on the wall. In the boundary equations, which are obtained for use in flow-field calculations applicable to low-density flow regimes, a simplified gas/wall interaction is assumed wherein individual atoms or molecules either reflect specularly off the wall or stick and are fully accommodated. Fluxes in terms of evaluated integrals over the distribution function and integrals necessary for determining fluxes are given.

  12. [Difficult Diagnosis of Non-strabismic Binocular and Accommodative Disorders].

    PubMed

    Kříž, P

    2016-01-01

    The aim of the paper is to inform about the current approach to the diagnosis of non-strabismic binocular and accommodative disorders. A large number of studies quote high occurrence of them in both clinical and nonclinical populations. They also point out the presence of a diagnosis deficiency or insufficient diagnosis within the optometric and ophthalmological practice. The representation in population depends not only on race and age, but also on the methodology of diagnostic tests, and the chosen diagnostic criteria in particular. For the purpose of division of binocular and accommodative disorders there are several classification systems. The widespread classification facilitates a better understanding of a great spectrum of symptoms, assignment of the characteristic signs, and decision about appropriateness and choice of treatment types.Key words: heteroforie, binocular disorders, accommodative disorders, fusional vergence, convergence insufficiency, convergence excess.

  13. Magnitude of visual accommodation to a head-up display

    NASA Technical Reports Server (NTRS)

    Leitner, E. F.; Haines, R. F.

    1981-01-01

    The virtual image symbology of head-up displays (HUDs) is presented at optical infinity to the pilot. This design feature is intended to help pilots maintain visual focus distance at optical infinity. However, the accommodation response could be nearer than optical infinity, due to an individual's dark focus response. Accommodation responses were measured of two age groups of airline pilots to: (1) static symbology on a HUD; (2) a landing site background at optical infinity; (3) the combination of the HUD symbology and the landing site background; and (4) complete darkness. Results indicate that magnitude of accommodation to HUD symbology, with and without the background, is not significantly different from an infinity focus response for either age group. The dark focus response is significantly closer than optical infinity for the younger pilots, but not the older pilots, a finding consistent with previous research.

  14. Accommodative response and cortical activity during sustained attention.

    PubMed

    Poltavski, Dmitri V; Biberdorf, David; Petros, Thomas V

    2012-06-15

    Greater accommodative lag and vergence deficits have been linked to attentional deficits similar to those observed in Attention Deficit Hyperactivity Disorder (ADHD). The purpose of the present study was to assess the effect of accommodative-vergence stress on a measure of sustained attention (Conners CPT) used in the diagnosis of ADHD. Twenty-seven normal non-ADHD adults completed the Conners CPT twice: wearing -2.00 D lenses and normally (without the -2.00 D lenses) in a counterbalanced order with at least 24 h between the sessions. Simultaneous recording of participants' dynamic accommodative responses was performed from the right eye using the Grand Seiko WAM-5500 auto-refractor and electroencephalographic activity (EEG) in the left prefrontal region using the Neurosky Mindset headset. The results demonstrated a significantly greater accommodative lag in the -2.00 D stress condition and a significantly poorer performance on the Conners CPT as indexed by slower reaction time, greater standard error of hit reaction time, grater response variability, poorer stimulus detectability and a greater number of perseverations. No differences were observed on measures of EEG in the theta (4-7 Hz), alpha (8-12 Hz), and beta (12-20 Hz) bands. Moreover, when directly juxtaposed with each EEG band in multiple linear regression analyses, greater accommodative lag in the stress condition was significantly associated with a greater probability of clinical classification on the Conners CPT, and was also marginally predictive of the number of omissions recorded in the stress condition. The results demonstrated that sustained attention can be influenced by such factors as accommodative-vergence stress and suggest that bottom-up processes can contribute to and potentially exacerbate attentional problems in individuals with ADHD. The study also showed that cortical dysfunction (while sufficient) may not be a necessary condition for attentional deficits.

  15. Immunity-Based Accommodation of Aircraft Subsystem Failures

    NASA Astrophysics Data System (ADS)

    Togayev, Adil

    This thesis presents the design, development, and flight-simulation testing of an artificial immune system (AIS) based approach for accommodation of different aircraft subsystem failures. Failure accommodation is considered as part of a complex integrated AIS scheme that contains four major components: failure detection, identification, evaluation, and accommodation. The accommodation part consists of providing compensatory commands to the aircraft under specific abnormal conditions based on previous experience. In this research effort, the possibility of building an AIS allowing the extraction of pilot commands is investigated. The proposed approach is based on structuring the self (nominal conditions) and the non-self (abnormal conditions) within the AIS paradigm, as sets of artificial memory cells (mimicking behavior of T-cells, B-cells, and antibodies) consisting of measurement strings, over pre-defined time windows. Each string is a set of features values at each sample time of the flight including pilot inputs, system states, and other variables. The accommodation algorithm relies on identifying the memory cell that is the most similar to the in-coming measurements. Once the best match is found, control commands corresponding to this match will be extracted from the memory and used for control purposes. The proposed methodology is illustrated through simulation of simple maneuvers at nominal flight conditions, different actuators, and sensor failure conditions. Data for development and demonstration have been collected from West Virginia University 6-degrees-of-freedom motion-based flight simulator. The aircraft model used for this research represents a supersonic fighter which includes model following adaptive control laws based on non-linear dynamic inversion and artificial neural network augmentation. The simulation results demonstrate the possibility of extracting pilot compensatory commands from the self/non-self structure and the capability of the AIS

  16. Space Station accommodation engineering for Life Sciences Research Facilities

    NASA Technical Reports Server (NTRS)

    Hilchey, J.; Gustan, E.; Rudiger, C. E.

    1984-01-01

    Exploratory studies conducted by NASA Marshall Space Flight Center and several contractors in connection with defining the design requirements, parameters, and tradeoffs of the Life Sciences Research Facilities for nonhuman test subjects aboard the Space Station are reviewed. The major system discriminators which determine the size of the accommodation system are identified, along with a number of mission options. Moreover, characteristics of several vivarium concepts are summarized, focusing on the cost, size, variable-g capability, and the number of specimens accommodated. Finally, the objectives of the phase B studies of the Space Station Laboratory, which are planned for FY85, are described.

  17. Analysis on the accommodation of renewable energy in northeast China

    NASA Astrophysics Data System (ADS)

    Liu, Jun; Zhang, Jinfang; Tian, Feng; Mi, Zhe

    2017-01-01

    The accommodation and curtailment of renewable energy in northeast China have attracted much attention with the rapid growth of wind and solar power generation. Large amount of wind power has been curtailed or abandoned in northeast China due to several reasons, such as, the redundancy of power supplies, inadequate power demands, imperfect power structure with less flexibility and limited cross-regional transmission capacity. In this paper, we use multi-area production simulation to analyse the accommodation of renewable energy in northeast China by 2020. Furthermore, we suggest the measures that could be adopted in generation, grid and load side to reduce curtailment of renewables.

  18. Pupil movements to light and accommodative stimulation - A comparative study.

    NASA Technical Reports Server (NTRS)

    Semmlow, J.; Stark, L.

    1973-01-01

    Isolation and definition of specific response components in pupil reflexes through comparison of the dynamic features of light-induced and accommodation-induced pupil movements. A quantitative analysis of the behavior of the complex nonlinear pupil responses reveals the presence of two independent nonlinear characteristics: a range-dependent gain and a direction dependence or movement asymmetry. These nonlinear properties are attributed to motor processes because they are observable in pupil responses to both light and accommodation stimuli. The possible mechanisms and consequences of these pupil response characteristics are quantitatively defined and discussed.

  19. Adapting your teaching to accommodate the net generation of learners.

    PubMed

    Skiba, Diane J; Barton, Amy J

    2006-05-31

    Educators are faced with the challenge of adapting their teaching styles to accommodate a new generation of learners. The Net Generation or Millennials, who are now entering colleges and universities, have learning expectations, styles, and needs different from past students. This article assists educators in teaching the Net Generation by highlighting the characteristics of the Net Generation and providing examples of how to adapt teaching strategies to accommodate the Net Generation, in light of their preferences for digital literacy, experiential learning, interactivity, and immediacy.

  20. Mind Molecules

    PubMed Central

    Snyder, Solomon H.

    2011-01-01

    Scientific styles vary tremendously. For me, research is largely about the unfettered pursuit of novel ideas and experiments that can test multiple ideas in a day, not a year, an approach that I learned from my mentor Julius “Julie” Axelrod. This focus on creative conceptualizations has been my métier since working in the summers during medical school at the National Institutes of Health, during my two years in the Axelrod laboratory, and throughout my forty-five years at Johns Hopkins University School of Medicine. Equally important has been the “high” that emerges from brainstorming with my students. Nothing can compare with the eureka moments when, together, we sense new insights and, better yet, when high-risk, high-payoff experiments succeed. Although I have studied many different questions over the years, a common theme emerges: simple biochemical approaches to understanding molecular messengers, usually small molecules. Equally important has been identifying, purifying, and cloning the messengers' relevant biosynthetic, degradative, or target proteins, at all times seeking potential therapeutic relevance in the form of drugs. In the interests of brevity, this Reflections article is highly selective, and, with a few exceptions, literature citations are only of findings of our laboratory that illustrate notable themes. PMID:21543333

  1. Against the accommodation of subjective healthcare provider beliefs in medicine: counteracting supporters of conscientious objector accommodation arguments.

    PubMed

    Smalling, Ricardo; Schuklenk, Udo

    2017-04-01

    We respond in this paper to various counter arguments advanced against our stance on conscientious objection accommodation. Contra Maclure and Dumont, we show that it is impossible to develop reliable tests for conscientious objectors' claims with regard to the reasonableness of the ideological basis of their convictions, and, indeed, with regard to whether they actually hold they views they claim to hold. We demonstrate furthermore that, within the Canadian legal context, the refusal to accommodate conscientious objectors would not constitute undue hardship for such objectors. We reject concerns that refusing to accommodate conscientious objectors would limit the equality of opportunity for budding professionals holding particular ideological positions. We also clarify various misrepresentations of our views by respondents Symons, Glick and Jotkowitz, and Lyus.

  2. Leading the Way to Appropriate Selection, Implementation, and Evaluation of the Read-Aloud Accommodation

    ERIC Educational Resources Information Center

    Thurlow, Martha L.; Lazarus, Sheryl S.; Hodgson, Jennifer R.

    2012-01-01

    The read-aloud accommodation is one of the most frequently used accommodations. Many educators need training to more confidently select, implement, and evaluate the use of the read-aloud accommodation. Planning by special education leaders can help ensure that test day goes smoothly for students who need the read-aloud accommodation.

  3. Success in baccalaureate nursing programs: a matter of accommodation?

    PubMed

    Haislett, J; Hughes, R B; Atkinson, G; Williams, C L

    1993-02-01

    This article explores student learning styles as an important variable in four-year baccalaureate nursing programs. Student learning styles were assessed by Kolb's Learning Style Inventory-1985 (LSI-1985), which identifies the accommodator, diverger, assimilator, and converger learning styles. The authors examined the relationship between learning style and academic performance as measured by grade-point ratio (GPR) and studied behaviors and attitudes as measured by Brown and Holtzman's (1964) Survey of Study Habits and Attitudes. Analysis indicated that this sample (N = 100) included mainly assimilators and divergers, making reflective observation the most common mode of learning. Compared to the accommodator/converger group, the assimilator/diverger group earned a significantly higher GPR, significantly better scores on the study habits variable of Work Methods (WM), and moderately better scores on the study attitude variable of Educational Acceptance (EA). Accommodators were identified as the most at-risk learning style group, and specific interventions were suggested to assist accommodators in adapting to the academic rigors of a nursing curriculum.

  4. The accommodative ciliary muscle function is preserved in older humans

    PubMed Central

    Tabernero, Juan; Chirre, Emmanuel; Hervella, Lucia; Prieto, Pedro; Artal, Pablo

    2016-01-01

    Presbyopia, the loss of the eye’s accommodation capability, affects all humans aged above 45–50 years old. The two main reasons for this to happen are a hardening of the crystalline lens and a reduction of the ciliary muscle functionality with age. While there seems to be at least some partial accommodating functionality of the ciliary muscle at early presbyopic ages, it is not yet clear whether the muscle is still active at more advanced ages. Previous techniques used to visualize the accommodation mechanism of the ciliary muscle are complicated to apply in the older subjects, as they typically require fixation stability during long measurement times and/or to have an ultrasound probe directly in contact with the eye. Instead, we used our own developed method based on high-speed recording of lens wobbling to study the ciliary muscle activity in a small group of pseudophakic subjects (around 80 years old). There was a significant activity of the muscle, clearly able to contract under binocular stimulation of accommodation. This supports a purely lenticular-based theory of presbyopia and it might stimulate the search for new solutions to presbyopia by making use of the remaining contraction force still presented in the aging eye. PMID:27151778

  5. View north of inside machine shop 36; shop floor accommodates ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    View north of inside machine shop 36; shop floor accommodates lathes capable of machining a cylinder 60 inches in diameter and 75 feet long; other equipment includes horizontal and vertical jig borders, hydraulic tube straighteners and other equipment for precision machining of large ship components. - Naval Base Philadelphia-Philadelphia Naval Shipyard, Structure Shop, League Island, Philadelphia, Philadelphia County, PA

  6. Student Accommodation Projects: A Guide to PFI Contracts. Good Practice.

    ERIC Educational Resources Information Center

    Curtis, Pinsent

    This guide is intended for higher education institutions in England that are about to embark on student residential accommodation projects. It focuses on procurements under the Private Financial Initiative (PFI), a form of Public Private Partnership in the United Kingdom, but other approaches are considered. The guide draws on good practices from…

  7. The accommodative ciliary muscle function is preserved in older humans

    NASA Astrophysics Data System (ADS)

    Tabernero, Juan; Chirre, Emmanuel; Hervella, Lucia; Prieto, Pedro; Artal, Pablo

    2016-05-01

    Presbyopia, the loss of the eye’s accommodation capability, affects all humans aged above 45–50 years old. The two main reasons for this to happen are a hardening of the crystalline lens and a reduction of the ciliary muscle functionality with age. While there seems to be at least some partial accommodating functionality of the ciliary muscle at early presbyopic ages, it is not yet clear whether the muscle is still active at more advanced ages. Previous techniques used to visualize the accommodation mechanism of the ciliary muscle are complicated to apply in the older subjects, as they typically require fixation stability during long measurement times and/or to have an ultrasound probe directly in contact with the eye. Instead, we used our own developed method based on high-speed recording of lens wobbling to study the ciliary muscle activity in a small group of pseudophakic subjects (around 80 years old). There was a significant activity of the muscle, clearly able to contract under binocular stimulation of accommodation. This supports a purely lenticular-based theory of presbyopia and it might stimulate the search for new solutions to presbyopia by making use of the remaining contraction force still presented in the aging eye.

  8. Accommodating Students' Sensory Learning Modalities in Online Formats

    ERIC Educational Resources Information Center

    Allison, Barbara N.; Rehm, Marsha L.

    2016-01-01

    Online classes have become a popular and viable method of educating students in both K-12 settings and higher education, including in family and consumer sciences (FCS) programs. Online learning dramatically affects the way students learn. This article addresses how online learning can accommodate the sensory learning modalities (sight, hearing,…

  9. Mechanically implementable accommodation matrices for passive force control

    SciTech Connect

    Goswami, A.; Peshkin, M.

    1999-08-01

    Robot force control implemented by means of passive mechanical devices has inherent advantages over active implementations with regard to stability, response rapidity, and physical robustness. The class of devices considered in this paper consists of a Stewart platform-type mechanism interconnected with a network of adjustable mechanical elements such as springs and dampers. The control law repertoire of such a device, imagined as a robot wrist, is given by the range of admittance matrices that it may be programmed to possess. This paper focuses on wrists incorporating damper networks for which the admittance matrices reduce to accommodation or inverse-damping matrices. The authors show that a hydraulic network of fully adjustable damper elements may attain any diagonally dominant accommodation matrix. They describe the technique of selecting the individual damping coefficients to design a desired matrix. They identify the set of dominant matrices as a polyhedral convex cone in the space of matrix entries, and show that each dominant matrix can be composed of a positive linear combination of a fixed set of basis matrices. The overall wrist-accommodation matrix is obtained by projecting the accommodation matrix of the damper network through the wrist kinematics. The linear combination of the dominant basis matrices projected through the wrist kinematics generates the entire space of mechanically implementable force-control laws. The authors quantify the versatility of mechanically implementable force-control laws by comparing this space to the space of all matrices.

  10. The Effect of Intensified Language Exposure on Accommodating Talker Variability

    ERIC Educational Resources Information Center

    Antoniou, Mark; Wong, Patrick C. M.; Wang, Suiping

    2015-01-01

    Purpose: This study systematically examined the role of intensified exposure to a second language on accommodating talker variability. Method: English native listeners (n = 37) were compared with Mandarin listeners who had either lived in the United States for an extended period of time (n = 33) or had lived only in China (n = 44). Listeners…

  11. Understanding and Accommodating Students with Depression in the Classroom

    ERIC Educational Resources Information Center

    Crundwell, R. Marc; Killu, Kim

    2007-01-01

    Depression and mood disorders present a significant challenge in the classroom; resulting symptoms can impact memory, recall, motivation, problem solving, task completion, physical and motor skills, and social interactions. Little information is available on practical instructional accommodations and modifications for use by the classroom teacher.…

  12. Manifold gasket accommodating differential movement of fuel cell stack

    DOEpatents

    Kelley, Dana A.; Farooque, Mohammad

    2007-11-13

    A gasket for use in a fuel cell system having at least one externally manifolded fuel cell stack, for sealing the manifold edge and the stack face. In accordance with the present invention, the gasket accommodates differential movement between the stack and manifold by promoting slippage at interfaces between the gasket and the dielectric and between the gasket and the stack face.

  13. Disability Accommodations in Online Courses: The Graduate Student Experience

    ERIC Educational Resources Information Center

    Terras, Katherine; Leggio, Joseph; Phillips, Amy

    2015-01-01

    Research is beginning to demonstrate that online learning may afford students with disabilities enhanced opportunities for academic success. In this study, the authors interviewed 11 graduate students to determine their experiences with disability accommodations in online courses and their perceptions of the relationship between those…

  14. Promoting Independence for Wheelchair Users: The Role of Home Accommodations

    ERIC Educational Resources Information Center

    Allen, Susan; Resnik, Linda; Roy, Jason

    2006-01-01

    Purpose: The objective of this research is to investigate whether home accommodations influence the amount of human help provided to a nationally representative sample of adults who use wheelchairs. Design and Methods: We analyzed data from the Adult Disability Follow-back Survey (DFS), Phase II, of the Disability Supplement to the 1994-1995…

  15. Accommodating College Students with Learning Disabilities: ADD, ADHD, and Dyslexia

    ERIC Educational Resources Information Center

    Vickers, Melana Zyla

    2010-01-01

    Universities are providing extra time on tests, quiet exam rooms, in-class note-takers, and other assistance to college students with modest learning disabilities. But these policies are shrouded in secrecy. This paper, "Accommodating College Students with Learning Disabilities: ADD, ADHD, and Dyslexia," by Melana Zyla Vickers, examines…

  16. Language Shift and Language Accommodation across Family Generations in Taiwan

    ERIC Educational Resources Information Center

    Sandel, Todd L.; Chao, Wen-Yu; Liang, Chung-Hui

    2006-01-01

    This study explored language shift and accommodation among bilingual Mandarin and Tai-gi (also called Hokkien, Holo, Tai-gu, Taiwan Min, Taiwanese) families in Taiwan. From the 1940s until the 1980s the Chinese Nationalist Party (KMT) on Taiwan promoted Mandarin Chinese. Recent years have witnessed a shift in policy: since 2001 elementary schools…

  17. Coworker Informal Work Accommodations to Family: Scale Development and Validation

    ERIC Educational Resources Information Center

    Mesmer-Magnus, Jessica; Murase, Toshio; DeChurch, Leslie A.; Jimenez, Miliani

    2010-01-01

    Drawing on research regarding the utility of coworker support in mitigating work/family conflict, the authors developed a scale to measure Coworker-enacted Informal Work Accommodations to Family (C-IWAF). C-IWAF differs from coworker support in that it describes actual behaviors coworkers engage in to help one another deal with incompatible work…

  18. View of button board which accommodates the 1200 button switches ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    View of button board which accommodates the 1200 button switches which manually control the indicating pilot lights on the model board. Not all switches are active, some switches were installed for a planned, but never constructed, system expansion. - Thirtieth Street Station, Load Dispatch Center, Thirtieth & Market Streets, Railroad Station, Amtrak (formerly Pennsylvania Railroad Station), Philadelphia, Philadelphia County, PA

  19. 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...

  20. Accommodating Students with Disabilities: A Practical Guide for the Faculty.

    ERIC Educational Resources Information Center

    Chang, Moon K.; And Others

    This guide is designed to assist university professors in making decisions on their instructional planning and delivery by expanding and refining their repertoire of accommodations for their students with visual and hearing impairments, physical disabilities, and learning disabilities. Part 1 suggests a five-step procedure for making decisions on…