Science.gov

Sample records for accurate column densities

  1. Accurate measurement of the H I column density from H I 21 cm absorption-emission spectroscopy

    NASA Astrophysics Data System (ADS)

    Chengalur, Jayaram N.; Kanekar, Nissim; Roy, Nirupam

    2013-07-01

    We present a detailed study of an estimator of the H I column density, based on a combination of H I 21 cm absorption and H I 21cm emission spectroscopy. This `isothermal' estimate is given by NHI, ISO = 1.823 × 1018 ∫ [τtot × TB / [ 1 - e-τtot]dV, where τtot is the total H I 21cm optical depth along the sightline and TB is the measured brightness temperature. We have used a Monte Carlo simulation to quantify the accuracy of the isothermal estimate by comparing the derived NHI, ISO with the true H I column density NHI. The simulation was carried out for a wide range of sightlines, including gas in different temperature phases and random locations along the path. We find that the results are statistically insensitive to the assumed gas temperature distribution and the positions of different phases along the line of sight. The median value of the ratio of the true H I column density to the isothermal estimate, NHI/NHI, ISO, is within a factor of 2 of unity while the 68.2 per cent confidence intervals are within a factor of ≈3 of unity, out to high H I column densities, ≤5 × 1023 cm-2 per 1 km s-1 channel, and high total optical depths, ≤1000. The isothermal estimator thus provides a significantly better measure of the H I column density than other methods, within a factor of a few of the true value even at the highest columns, and should allow us to directly probe the existence of high H I column density gas in the Milky Way.

  2. Density Gradient Columns for Chemical Displays.

    ERIC Educational Resources Information Center

    Guenther, William B.

    1986-01-01

    Procedures for preparing density gradient columns for chemical displays are presented. They include displays illustrating acid-base reactions, metal ion equilibria, and liquid density. The lifetime of these metastable displays is surprising, some lasting for months in display cabinets. (JN)

  3. Accurate density functional thermochemistry for larger molecules.

    SciTech Connect

    Raghavachari, K.; Stefanov, B. B.; Curtiss, L. A.; Lucent Tech.

    1997-06-20

    Density functional methods are combined with isodesmic bond separation reaction energies to yield accurate thermochemistry for larger molecules. Seven different density functionals are assessed for the evaluation of heats of formation, Delta H 0 (298 K), for a test set of 40 molecules composed of H, C, O and N. The use of bond separation energies results in a dramatic improvement in the accuracy of all the density functionals. The B3-LYP functional has the smallest mean absolute deviation from experiment (1.5 kcal mol/f).

  4. ON THE ORIGIN OF THE HIGH COLUMN DENSITY TURNOVER IN THE H I COLUMN DENSITY DISTRIBUTION

    SciTech Connect

    Erkal, Denis; Gnedin, Nickolay Y.; Kravtsov, Andrey V.

    2012-12-10

    We study the high column density regime of the H I column density distribution function and argue that there are two distinct features: a turnover at N{sub H{sub I}} Almost-Equal-To 10{sup 21} cm{sup -2}, which is present at both z = 0 and z Almost-Equal-To 3, and a lack of systems above N{sub H{sub I}} Almost-Equal-To 10{sup 22} cm{sup -2} at z = 0. Using observations of the column density distribution, we argue that the H I-H{sub 2} transition does not cause the turnover at N{sub H{sub I}} Almost-Equal-To 10{sup 21} cm{sup -2} but can plausibly explain the turnover at N{sub H{sub I}} {approx}> 10{sup 22} cm{sup -2}. We compute the H I column density distribution of individual galaxies in the THINGS sample and show that the turnover column density depends only weakly on metallicity. Furthermore, we show that the column density distribution of galaxies, corrected for inclination, is insensitive to the resolution of the H I map or to averaging in radial shells. Our results indicate that the similarity of H I column density distributions at z = 3 and 0 is due to the similarity of the maximum H I surface densities of high-z and low-z disks, set presumably by universal processes that shape properties of the gaseous disks of galaxies. Using fully cosmological simulations, we explore other candidate physical mechanisms that could produce a turnover in the column density distribution. We show that while turbulence within giant molecular clouds cannot affect the damped Ly{alpha} column density distribution, stellar feedback can affect it significantly if the feedback is sufficiently effective in removing gas from the central 2-3 kpc of high-redshift galaxies. Finally, we argue that it is meaningful to compare column densities averaged over {approx} kpc scales with those estimated from quasar spectra that probe sub-pc scales due to the steep power spectrum of H I column density fluctuations observed in nearby galaxies.

  5. Column density profiles of multiphase gaseous haloes

    NASA Astrophysics Data System (ADS)

    Liang, Cameron J.; Kravtsov, Andrey V.; Agertz, Oscar

    2016-05-01

    We analyse circumgalactic medium (CGM) in a suite of high-resolution cosmological re-simulations of a Milky Way size galaxy and show that CGM properties are quite sensitive to details of star formation-feedback loop modelling. The simulation that produces a realistic late-type galaxy, fails to reproduce existing observations of the CGM. In contrast, simulation that does not produce a realistic galaxy has the predicted CGM in better agreement with observations. This illustrates that properties of galaxies and properties of their CGM provide strong complementary constraints on the processes governing galaxy formation. Our simulations predict that column density profiles of ions are well described by an exponential function of projected distance d: N ∝ e^{-d/h_s}. Simulations thus indicate that the sharp drop in absorber detections at larger distances in observations does not correspond to a `boundary' of an ion, but reflects the underlying steep exponential column density profile. Furthermore, we find that ionization energy of ions is tightly correlated with the scaleheight hs: h_s ∝ E_ion^{0.74}. At z ≈ 0, warm gas traced by low-ionization species (e.g. Mg II and C IV) has hs ≈ 0.03 - 0.07Rvir, while higher ionization species (O VI and Ne VIII) have hs ≈ 0.32 - 0.45Rvir. Finally, the scaleheights of ions in our simulations evolve slower than the virial radius for z ≤ 2, but similarly to the halo scale radius, rs. Thus, we suggest that the column density profiles of galaxies at different redshifts should be scaled by rs rather than the halo virial radius.

  6. Evolution of column density distributions within Orion A⋆

    NASA Astrophysics Data System (ADS)

    Stutz, A. M.; Kainulainen, J.

    2015-05-01

    We compare the structure of star-forming molecular clouds in different regions of Orion A to determine how the column density probability distribution function (N-PDF) varies with environmental conditions such as the fraction of young protostars. A correlation between the N-PDF slope and Class 0 protostar fraction has been previously observed in a low-mass star-formation region (Perseus); here we test whether a similar correlation is observed in a high-mass star-forming region. We used Herschel PACS and SPIRE cold dust emission observations to derive a column density map of Orion A. We used the Herschel Orion Protostar Survey catalog to accurately identify and classify the Orion A young stellar object content, including the cold and relatively short-lived Class 0 protostars (with a lifetime of ~0.14 Myr). We divided Orion A into eight independent regions of 0.25 square degrees (13.5 pc2); in each region we fit the N-PDF distribution with a power law, and we measured the fraction of Class 0 protostars. We used a maximum-likelihood method to measure the N-PDF power-law index without binning the column density data. We find that the Class 0 fraction is higher in regions with flatter column density distributions. We tested the effects of incompleteness, extinction-driven misclassification of Class 0 sources, resolution, and adopted pixel-scales. We show that these effects cannot account for the observed trend. Our observations demonstrate an association between the slope of the power-law N-PDF and the Class 0 fractions within Orion A. Various interpretations are discussed, including timescales based on the Class 0 protostar fraction assuming a constant star-formation rate. The observed relation suggests that the N-PDF can be related to an evolutionary state of the gas. If universal, such a relation permits evaluating the evolutionary state from the N-PDF power-law index at much greater distances than those accessible with protostar counts. Appendices are available in

  7. Precise and Accurate Density Determination of Explosives Using Hydrostatic Weighing

    SciTech Connect

    B. Olinger

    2005-07-01

    Precise and accurate density determination requires weight measurements in air and water using sufficiently precise analytical balances, knowledge of the densities of air and water, knowledge of thermal expansions, availability of a density standard, and a method to estimate the time to achieve thermal equilibrium with water. Density distributions in pressed explosives are inferred from the densities of elements from a central slice.

  8. Hounsfield unit density accurately predicts ESWL success.

    PubMed

    Magnuson, William J; Tomera, Kevin M; Lance, Raymond S

    2005-01-01

    Extracorporeal shockwave lithotripsy (ESWL) is a commonly used non-invasive treatment for urolithiasis. Helical CT scans provide much better and detailed imaging of the patient with urolithiasis including the ability to measure density of urinary stones. In this study we tested the hypothesis that density of urinary calculi as measured by CT can predict successful ESWL treatment. 198 patients were treated at Alaska Urological Associates with ESWL between January 2002 and April 2004. Of these 101 met study inclusion with accessible CT scans and stones ranging from 5-15 mm. Follow-up imaging demonstrated stone freedom in 74.2%. The overall mean Houndsfield density value for stone-free compared to residual stone groups were significantly different ( 93.61 vs 122.80 p < 0.0001). We determined by receiver operator curve (ROC) that HDV of 93 or less carries a 90% or better chance of stone freedom following ESWL for upper tract calculi between 5-15mm.

  9. Accurate Measurement of Bone Density with QCT

    NASA Technical Reports Server (NTRS)

    Cleek, Tammy M.; Beaupre, Gary S.; Matsubara, Miki; Whalen, Robert T.; Dalton, Bonnie P. (Technical Monitor)

    2002-01-01

    The objective of this study was to determine the accuracy of bone density measurement with a new OCT technology. A phantom was fabricated using two materials, a water-equivalent compound and hydroxyapatite (HA), combined in precise proportions (QRM GrnbH, Germany). The phantom was designed to have the approximate physical size and range in bone density as a human calcaneus, with regions of 0, 50, 100, 200, 400, and 800 mg/cc HA. The phantom was scanned at 80, 120 and 140 KVp with a GE CT/i HiSpeed Advantage scanner. A ring of highly attenuating material (polyvinyl chloride or teflon) was slipped over the phantom to alter the image by introducing non-axi-symmetric beam hardening. Images were corrected with a new OCT technology using an estimate of the effective X-ray beam spectrum to eliminate beam hardening artifacts. The algorithm computes the volume fraction of HA and water-equivalent matrix in each voxel. We found excellent agreement between expected and computed HA volume fractions. Results were insensitive to beam hardening ring material, HA concentration, and scan voltage settings. Data from all 3 voltages with a best fit linear regression are displays.

  10. Fractionating Polymer Microspheres as Highly Accurate Density Standards.

    PubMed

    Bloxham, William H; Hennek, Jonathan W; Kumar, Ashok A; Whitesides, George M

    2015-07-21

    This paper describes a method of isolating small, highly accurate density-standard beads and characterizing their densities using accurate and experimentally traceable techniques. Density standards have a variety of applications, including the characterization of density gradients, which are used to separate objects in a variety of fields. Glass density-standard beads can be very accurate (±0.0001 g cm(-3)) but are too large (3-7 mm in diameter) for many applications. When smaller density standards are needed, commercial polymer microspheres are often used. These microspheres have standard deviations in density ranging from 0.006 to 0.021 g cm(-3); these distributions in density make these microspheres impractical for applications demanding small steps in density. In this paper, commercial microspheres are fractionated using aqueous multiphase systems (AMPS), aqueous mixture of polymers and salts that spontaneously separate into phases having molecularly sharp steps in density, to isolate microspheres having much narrower distributions in density (standard deviations from 0.0003 to 0.0008 g cm(-3)) than the original microspheres. By reducing the heterogeneity in densities, this method reduces the uncertainty in the density of any specific bead and, therefore, improves the accuracy within the limits of the calibration standards used to characterize the distributions in density.

  11. Group-delay diagnostic for measuring vapor column density

    SciTech Connect

    Crane, J.K.; Presta, R.W.; Christensen, J.J.; Cooke, J.D.; Shaw, M.J.; Johnson, M.A.; Paisner, J.A. )

    1991-10-20

    We describe a technique for determining {ital Nfl} by measuring the group-velocity delay of a probe laser beam propagating through a vapor. This diagnostic has wide dynamic range, is simple to implement, and can be used as a high-bandwidth vapor rate monitor. In addition, it can be used to measure column density, {ital Nl}, number density, {ital N}, oscillator strengths, {ital f}, or absorption cross sections, collisional line broadening, and vapor group-velocity delay.

  12. Inverse estimation of parameters for multidomain flow models in soil columns with different macropore densities.

    PubMed

    Arora, Bhavna; Mohanty, Binayak P; McGuire, Jennifer T

    2011-04-01

    Soil and crop management practices have been found to modify soil structure and alter macropore densities. An ability to accurately determine soil hydraulic parameters and their variation with changes in macropore density is crucial for assessing potential contamination from agricultural chemicals. This study investigates the consequences of using consistent matrix and macropore parameters in simulating preferential flow and bromide transport in soil columns with different macropore densities (no macropore, single macropore, and multiple macropores). As used herein, the term"macropore density" is intended to refer to the number of macropores per unit area. A comparison between continuum-scale models including single-porosity model (SPM), mobile-immobile model (MIM), and dual-permeability model (DPM) that employed these parameters is also conducted. Domain-specific parameters are obtained from inverse modeling of homogeneous (no macropore) and central macropore columns in a deterministic framework and are validated using forward modeling of both low-density (3 macropores) and high-density (19 macropores) multiple-macropore columns. Results indicate that these inversely modeled parameters are successful in describing preferential flow but not tracer transport in both multiple-macropore columns. We believe that lateral exchange between matrix and macropore domains needs better accounting to efficiently simulate preferential transport in the case of dense, closely spaced macropores. Increasing model complexity from SPM to MIM to DPM also improved predictions of preferential flow in the multiple-macropore columns but not in the single-macropore column. This suggests that the use of a more complex model with resolved domain-specific parameters is recommended with an increase in macropore density to generate forecasts with higher accuracy. PMID:24511165

  13. Inverse estimation of parameters for multidomain flow models in soil columns with different macropore densities

    PubMed Central

    Arora, Bhavna; Mohanty, Binayak P.; McGuire, Jennifer T.

    2013-01-01

    Soil and crop management practices have been found to modify soil structure and alter macropore densities. An ability to accurately determine soil hydraulic parameters and their variation with changes in macropore density is crucial for assessing potential contamination from agricultural chemicals. This study investigates the consequences of using consistent matrix and macropore parameters in simulating preferential flow and bromide transport in soil columns with different macropore densities (no macropore, single macropore, and multiple macropores). As used herein, the term“macropore density” is intended to refer to the number of macropores per unit area. A comparison between continuum-scale models including single-porosity model (SPM), mobile-immobile model (MIM), and dual-permeability model (DPM) that employed these parameters is also conducted. Domain-specific parameters are obtained from inverse modeling of homogeneous (no macropore) and central macropore columns in a deterministic framework and are validated using forward modeling of both low-density (3 macropores) and high-density (19 macropores) multiple-macropore columns. Results indicate that these inversely modeled parameters are successful in describing preferential flow but not tracer transport in both multiple-macropore columns. We believe that lateral exchange between matrix and macropore domains needs better accounting to efficiently simulate preferential transport in the case of dense, closely spaced macropores. Increasing model complexity from SPM to MIM to DPM also improved predictions of preferential flow in the multiple-macropore columns but not in the single-macropore column. This suggests that the use of a more complex model with resolved domain-specific parameters is recommended with an increase in macropore density to generate forecasts with higher accuracy. PMID:24511165

  14. THE COLUMN DENSITY VARIANCE-M{sub s} RELATIONSHIP

    SciTech Connect

    Burkhart, Blakesley; Lazarian, A.

    2012-08-10

    Although there is a wealth of column density tracers for both the molecular and diffuse interstellar medium, there are few observational studies investigating the relationship between the density variance ({sigma}{sup 2}) and the sonic Mach number (M{sub s}). This is in part due to the fact that the {sigma}{sup 2}-M{sub s} relationship is derived, via MHD simulations, for the three-dimensional (3D) density variance only, which is not a direct observable. We investigate the utility of a 2D column density {sigma}{sub {Sigma}/{Sigma}0}{sup 2}-M{sub s} relationship using solenoidally driven isothermal MHD simulations and find that the best fit follows closely the form of the 3D density {sigma}{sub {rho}/{rho}0}{sup 2}-M{sub s} trend but includes a scaling parameter A such that {sigma}{sub ln({Sigma}/{Sigma}o)} = A x ln(1+b{sup 2} M{sub s}{sup 2}), where A = 0.11 and b = 1/3. This relation is consistent with the observational data reported for the Taurus and IC 5146 molecular clouds with b = 0.5 and A = 0.16, and b = 0.5 and A = 0.12, respectively. These results open up the possibility of using the 2D column density values of {sigma}{sup 2} for investigations of the relation between the sonic Mach number and the probability distribution function (PDF) variance in addition to existing PDF sonic Mach number relations.

  15. AN ACCURATE FLUX DENSITY SCALE FROM 1 TO 50 GHz

    SciTech Connect

    Perley, R. A.; Butler, B. J. E-mail: BButler@nrao.edu

    2013-02-15

    We develop an absolute flux density scale for centimeter-wavelength astronomy by combining accurate flux density ratios determined by the Very Large Array between the planet Mars and a set of potential calibrators with the Rudy thermophysical emission model of Mars, adjusted to the absolute scale established by the Wilkinson Microwave Anisotropy Probe. The radio sources 3C123, 3C196, 3C286, and 3C295 are found to be varying at a level of less than {approx}5% per century at all frequencies between 1 and 50 GHz, and hence are suitable as flux density standards. We present polynomial expressions for their spectral flux densities, valid from 1 to 50 GHz, with absolute accuracy estimated at 1%-3% depending on frequency. Of the four sources, 3C286 is the most compact and has the flattest spectral index, making it the most suitable object on which to establish the spectral flux density scale. The sources 3C48, 3C138, 3C147, NGC 7027, NGC 6542, and MWC 349 show significant variability on various timescales. Polynomial coefficients for the spectral flux density are developed for 3C48, 3C138, and 3C147 for each of the 17 observation dates, spanning 1983-2012. The planets Venus, Uranus, and Neptune are included in our observations, and we derive their brightness temperatures over the same frequency range.

  16. Estimated global nitrogen deposition using NO2 column density

    USGS Publications Warehouse

    Lu, Xuehe; Jiang, Hong; Zhang, Xiuying; Liu, Jinxun; Zhang, Zhen; Jin, Jiaxin; Wang, Ying; Xu, Jianhui; Cheng, Miaomiao

    2013-01-01

    Global nitrogen deposition has increased over the past 100 years. Monitoring and simulation studies of nitrogen deposition have evaluated nitrogen deposition at both the global and regional scale. With the development of remote-sensing instruments, tropospheric NO2 column density retrieved from Global Ozone Monitoring Experiment (GOME) and Scanning Imaging Absorption Spectrometer for Atmospheric Chartography (SCIAMACHY) sensors now provides us with a new opportunity to understand changes in reactive nitrogen in the atmosphere. The concentration of NO2 in the atmosphere has a significant effect on atmospheric nitrogen deposition. According to the general nitrogen deposition calculation method, we use the principal component regression method to evaluate global nitrogen deposition based on global NO2 column density and meteorological data. From the accuracy of the simulation, about 70% of the land area of the Earth passed a significance test of regression. In addition, NO2 column density has a significant influence on regression results over 44% of global land. The simulated results show that global average nitrogen deposition was 0.34 g m−2 yr−1 from 1996 to 2009 and is increasing at about 1% per year. Our simulated results show that China, Europe, and the USA are the three hotspots of nitrogen deposition according to previous research findings. In this study, Southern Asia was found to be another hotspot of nitrogen deposition (about 1.58 g m−2 yr−1 and maintaining a high growth rate). As nitrogen deposition increases, the number of regions threatened by high nitrogen deposits is also increasing. With N emissions continuing to increase in the future, areas whose ecosystem is affected by high level nitrogen deposition will increase.

  17. Topology in Synthetic Column Density Maps for Interstellar Turbulence

    NASA Astrophysics Data System (ADS)

    Putko, Joseph; Burkhart, B. K.; Lazarian, A.

    2013-01-01

    We show how the topology tool known as the genus statistic can be utilized to characterize magnetohydrodyanmic (MHD) turbulence in the ISM. The genus is measured with respect to a given density threshold and varying the threshold produces a genus curve, which can suggest an overall ‘‘meatball,’’ neutral, or ‘‘Swiss cheese’’ topology through its integral. We use synthetic column density maps made from three-dimensional 5123 compressible MHD isothermal simulations performed for different sonic and Alfvénic Mach numbers (Ms and MA respectively). We study eight different Ms values each with one sub- and one super-Alfvénic counterpart. We consider sight-lines both parallel (x) and perpendicular (y and z) to the mean magnetic field. We find that the genus integral shows a dependence on both Mach numbers, and this is still the case even after adding beam smoothing and Gaussian noise to the maps to mimic observational data. The genus integral increases with higher Ms values (but saturates after about Ms = 4) for all lines of sight. This is consistent with greater values of Ms resulting in stronger shocks, which results in a clumpier topology. We observe a larger genus integral for the sub-Alfvénic cases along the perpendicular lines of sight due to increased compression from the field lines and enhanced anisotropy. Application of the genus integral to column density maps should allow astronomers to infer the Mach numbers and thus learn about the environments of interstellar turbulence. This work was supported by the National Science Foundation’s REU program through NSF Award AST-1004881.

  18. Accurate photometric redshift probability density estimation - method comparison and application

    NASA Astrophysics Data System (ADS)

    Rau, Markus Michael; Seitz, Stella; Brimioulle, Fabrice; Frank, Eibe; Friedrich, Oliver; Gruen, Daniel; Hoyle, Ben

    2015-10-01

    We introduce an ordinal classification algorithm for photometric redshift estimation, which significantly improves the reconstruction of photometric redshift probability density functions (PDFs) for individual galaxies and galaxy samples. As a use case we apply our method to CFHTLS galaxies. The ordinal classification algorithm treats distinct redshift bins as ordered values, which improves the quality of photometric redshift PDFs, compared with non-ordinal classification architectures. We also propose a new single value point estimate of the galaxy redshift, which can be used to estimate the full redshift PDF of a galaxy sample. This method is competitive in terms of accuracy with contemporary algorithms, which stack the full redshift PDFs of all galaxies in the sample, but requires orders of magnitude less storage space. The methods described in this paper greatly improve the log-likelihood of individual object redshift PDFs, when compared with a popular neural network code (ANNZ). In our use case, this improvement reaches 50 per cent for high-redshift objects (z ≥ 0.75). We show that using these more accurate photometric redshift PDFs will lead to a reduction in the systematic biases by up to a factor of 4, when compared with less accurate PDFs obtained from commonly used methods. The cosmological analyses we examine and find improvement upon are the following: gravitational lensing cluster mass estimates, modelling of angular correlation functions and modelling of cosmic shear correlation functions.

  19. Accurate ionization potential of semiconductors from efficient density functional calculations

    NASA Astrophysics Data System (ADS)

    Ye, Lin-Hui

    2016-07-01

    Despite its huge successes in total-energy-related applications, the Kohn-Sham scheme of density functional theory cannot get reliable single-particle excitation energies for solids. In particular, it has not been able to calculate the ionization potential (IP), one of the most important material parameters, for semiconductors. We illustrate that an approximate exact-exchange optimized effective potential (EXX-OEP), the Becke-Johnson exchange, can be used to largely solve this long-standing problem. For a group of 17 semiconductors, we have obtained the IPs to an accuracy similar to that of the much more sophisticated G W approximation (GWA), with the computational cost of only local-density approximation/generalized gradient approximation. The EXX-OEP, therefore, is likely as useful for solids as for finite systems. For solid surfaces, the asymptotic behavior of the vx c has effects similar to those of finite systems which, when neglected, typically cause the semiconductor IPs to be underestimated. This may partially explain why standard GWA systematically underestimates the IPs and why using the same GWA procedures has not been able to get an accurate IP and band gap at the same time.

  20. EVIDENCE OF CONTRIBUTION OF INTERVENING CLOUDS TO GAMMA-RAY BURST'S X-RAY COLUMN DENSITY

    SciTech Connect

    Wang, J.

    2013-10-20

    The origin of excess of X-ray column density with respect to optical extinction in gamma-ray bursts (GRBs) is still a puzzle. A proposed explanation of the excess is the photoelectric absorption due to the intervening clouds along a GRB's line of sight. Here, we test this scenario by using the intervening Mg II absorption as a tracer of the neutral hydrogen column density of the intervening clouds. We identify a connection between the large X-ray column density (and large column density ratio of log (N{sub H,X}/N{sub H{sub I}})∼0.5) and large neutral hydrogen column density probed by the Mg II doublet ratio (DR). In addition, GRBs with large X-ray column density (and large ratio of log (N{sub H,X}/N{sub H{sub I}})>0) tend to have multiple saturated intervening absorbers with DR < 1.2. These results therefore indicate an additional contribution from the intervening system to the observed X-ray column density in some GRBs, although the contribution from the host galaxy alone cannot be excluded based on this study.

  1. The Bane of Column Density Analysis and What Good It Can Do for Us

    NASA Astrophysics Data System (ADS)

    How-Huan Chen, Hope; Goodman, Alyssa A.; Burkhart, Blakesley K.; Myers, Philip C.; Collins, David C.; Meisner, Aaron M.; Lee, Katherine I.

    2016-01-01

    Despite the fact that astronomers are inclined to apply statistical tools, from least-square fitting to machine learning, on the big, high-dimensional data, not enough care is often spent on examining the biases that could be introduced by sample selection and observation. The talk focuses on investigating arguably one of the most often applied statistical analyses in clouds and filaments recently--the probability distribution function (PDF) analysis of column density. We look at the correlation between column density PDF and various physical processes including turbulence and star formation as traced by young stellar objects and star forming cores, in both observation and simulation; as well as potential problems in statistically consistent fitting of column density distribution, validating correlation, biased sample selection, and projection effects. Our results show that 1) even though on large scale, the "width" of the column density PDF seems to correlate with turbulence, no clear correlation is found between column density PDF and turbulence in both simulation and observation, and 2) even previous works show that the index of the "power-law tail" correlates with the star formation activity, there is statistical ambiguity in the sampling of column density structures and associating point sources with any of these structures. We further analyze the hierachical structures of column density in molecular clouds and filaments, using the structure extraction algorithm, the dendrogram.

  2. Radiation Damped Profiles of Extremely High Column Density Neutral Hydrogen : Implications of Cosmic Reionization

    NASA Astrophysics Data System (ADS)

    Bach, Kiehunn

    2016-09-01

    Incorporating the time-dependent second-order perturbation theory for the Lyman scattering cross-section, we investigate the intergalactic absorption profiles of extremely high column density systems near the end of cosmic reionization. Assuming a representative set of the redshift distribution of neutral hydrogen, we quantitatively examined the impact of inhomogeneous density on the intrinsic absorption profiles. The cumulative absorption by neutral patches in the line-of-sight mainly affects the far off-center region of the red damping wing, but the effect is not significant. The shape of the line-center can be modified by the near-zone distribution due to high opacities of the near-resonance scattering. On the other hand, the HWHM (half width at half maximum) as an effective line-width is relatively less sensitive to the local inhomogeneity. Specifically, when the two local damping wings of Lyα and Lyβ are close in spectra of the strongly damped systems, accurate profiles of both lines are required. In the case of N HI ≲ 1021 cm-2, the two-level approximation is marginally applicable for the damping wing fit within 5 - 7% errors. However, as the local column density reaches N HI ˜ 1022.3 cm-2, this classical approximation yields a relative error of a 10% overestimation in the red wing and a 20% underestimation in the blue wing of Lyα. If severe extinction by the Lyα forests is carefully subtracted, the intrinsic absorption profile will provide a better constraint on the local ionized states. For practical applications, an analytic fitting function for the Lyβ scattering is derived.

  3. Isoelectric focusing of red blood cells in a density gradient stabilized column

    NASA Technical Reports Server (NTRS)

    Smolka, A. J. K.; Miller, T. Y.

    1980-01-01

    The effects of Ficoll and cell application pH on red blood cell electrophoretic mobility and focusing pH were investigated by focusing cells in a density gradient stabilized column. Sample loading, cell dispersion, column conductivity, resolution of separation, and the effect of Ampholines were examined.

  4. Dependence of interstellar depletion on hydrogen column density - Possibilities and implications

    NASA Technical Reports Server (NTRS)

    Tarafdar, S. P.; Prasad, S. S.; Huntress, W. T., Jr.

    1983-01-01

    A reexamination of the observed column densities of various elements in diffuse clouds suggests that almost all elements including oxygen, nitrogen, sulfur, and argon may be depleted with respect to hydrogen in interstellar clouds with large hydrogen column density. The amount of depletion varies from element to element and increases with increasing column density of hydrogen nuclei. This result is in qualitative agreement with the depletion of oxygen and sulfur independently inferred from the gas phase chemistry of sulfur in dense clouds. The rate of increase of depletion with hydrogen column density implied by the present study is large. It is possible that observational selection effects may have amplified the real dependence on N(H). A broad spectrum of C/O ratios ranging from values greater than unity to values less than unity appears possible for interstellar clouds, which would have the effect of a large variation in chemical composition from cloud to cloud.

  5. Retrieval of tropospheric column densities of NO2 from combined SCIAMACHY nadir/limb measurements

    NASA Astrophysics Data System (ADS)

    Beirle, S.; Kühl, S.; Puä·Ä«Te, J.; Wagner, T.

    2009-11-01

    The SCIAMACHY instrument onboard the ESA satellite ENVISAT allows the retrieval of column densities of various trace gases, among them NO2. As only instrument of its kind, SCIAMACHY measures in an alternating limb/nadir mode. The limb measurements allow a direct determination of stratospheric column densities, which are needed to extract tropospheric from the total column density measurements performed in (quasi simultaneous) nadir geometry. Here we discuss the potential and limitations of SCIAMACHY limb measurements for estimating stratospheric column densities of NO2 in comparison to a simple reference sector method, and the consequences for the resulting tropospheric column densities. A direct, absolute limb correction scheme improves spatial patterns of tropospheric NO2 column densities at high latitudes compared to the simple reference sector method. However, it results in artificial zonal stripes at low latitudes. Thus, also a relative limb correction scheme was defined, which turned out to successfully reduce stratospheric artefacts in the resulting tropospheric data product without introducing new ones. This relative limb correction scheme is rather simple, robust, and, in essence, based on measurements alone. The effect of the different stratospheric estimation schemes on tropospheric column densities is discussed with respect to zonal and temporal dependencies. In addition, error quantities are defined from the nadir/limb measurements which indicate remaining systematic errors as function of latitude and day. Our new suggested stratospheric estimation scheme, the relative limb correction, improves monthly mean tropospheric slant column densities significantly, e.g. from -1×1015 molec/cm2 (using a simple reference sector method) to ≈0 in the Atlantic ocean, and from +1×1015 molec/cm2 to ≈0 over Siberia, at 50° N in January.

  6. Electrostatic turbulence in the low-density plasma column

    NASA Astrophysics Data System (ADS)

    Ricci, Daria; Granucci, Gustavo; Garavaglia, Saul; Cremona, Anna; Minelli, Daniele; Mellera, Vittoria

    2010-11-01

    Electron plasma density fluctuations are observed in plasma when a radial pressure gradient excites drift waves. The linear machine GyM (R=0.125 m, L= 2.11 m, B<0.1T), operating at IFP-CNR since 2008, has started experiments aimed at characterizing drift waves excited in its non-uniform magnetized plasma. Two different plasma sources (magnetron 2.45 GHz or hot filament) have been used to sustain plasma with adjustable sections (1.5 cmdensity have been observed and characterized as a function of the injected RF power. The dynamic (frequency and amplitude) of such fluctuations has been related to the spontaneous radial electric field consequence of different electron density profiles. The results from the new probe array, recently implemented in GyM to provide a deeper study of the spatial distribution of turbulence, are shown.

  7. The reliability of observational measurements of column density probability distribution functions

    NASA Astrophysics Data System (ADS)

    Ossenkopf-Okada, V.; Csengeri, T.; Schneider, N.; Federrath, C.; Klessen, R. S.

    2016-05-01

    Context. Probability distribution functions (PDFs) of column densities are an established tool to characterize the evolutionary state of interstellar clouds. Aims: Using simulations, we show to what degree their determination is affected by noise, line-of-sight contamination, field selection, and the incomplete sampling in interferometric measurements. Methods: We solve the integrals that describe the convolution of a cloud PDF with contaminating sources such as noise and line-of-sight emission, and study the impact of missing information on the measured column density PDF. In this way we can quantify the effect of the different processes and propose ways to correct for their impact to recover the intrinsic PDF of the observed cloud. Results: The effect of observational noise can be easily estimated and corrected for if the root mean square (rms) of the noise is known. For σnoise values below 40% of the typical cloud column density, Npeak, this involves almost no degradation in the accuracy of the PDF parameters. For higher noise levels and narrow cloud PDFs the width of the PDF becomes increasingly uncertain. A contamination by turbulent foreground or background clouds can be removed as a constant shield if the peak of the contamination PDF falls at a lower column or is narrower than that of the observed cloud. Uncertainties in cloud boundary definition mainly affect the low-column density part of the PDF and the mean density. As long as more than 50% of a cloud is covered, the impact on the PDF parameters is negligible. In contrast, the incomplete sampling of the uv-plane in interferometric observations leads to uncorrectable PDF distortions in the maps produced. An extension of the capabilities of the Atacama Large Millimeter Array (ALMA) would allow us to recover the high-column density tail of the PDF, but we found no way to measure the intermediate- and low-column density part of the underlying cloud PDF in interferometric observations.

  8. Galactic interstellar abundance surveys with IUE. II - The equivalent widths and column densities

    NASA Technical Reports Server (NTRS)

    Van Steenberg, Michael E.; Shull, J. Michael

    1988-01-01

    This paper continues a survey of interstellar densities, abundances, and cloud structure in the Galaxy, using the International Ultraviolet Explorer (IUE) satellite. Equivalent widths of 18 ultraviolet resonance transitions are presented and column densities for Si II, Mn II, Fe II, S II, and Zn II toward 261 early-type stars are derived. These equivalent widths and column densities agree within the stated errors of earlier Copernicus, BUSS, or IUE surveys of Mn II, Fe II, S II, and Zn II for 45 stars in common. The column densities are derived from single-component curves of growth with a common b-value based on that of Fe II and Si II.

  9. Novel Robotic Platforms for the Accurate Sampling and Monitoring of Water Columns.

    PubMed

    Fernández, Roemi; Apalkov, Andrey; Armada, Manuel

    2016-01-01

    The hydrosphere contains large amounts of suspended particulate material, including living and non-living material that can be found in different compositions and concentrations, and that can be composed of particles of different sizes. The study of this particulate material along water columns plays a key role in understanding a great variety of biological, chemical, and physical processes. This paper presents the conceptual design of two patented robotic platforms that have been conceived for carrying out studies of water properties at desired depths with very high accuracy in the vertical positioning. One platform has been specially designed for operating near to a reservoir bottom, while the other is intended to be used near the surface. Several experimental tests have been conducted in order to validate the proposed approaches. PMID:27589745

  10. Novel Robotic Platforms for the Accurate Sampling and Monitoring of Water Columns

    PubMed Central

    Fernández, Roemi; Apalkov, Andrey; Armada, Manuel

    2016-01-01

    The hydrosphere contains large amounts of suspended particulate material, including living and non-living material that can be found in different compositions and concentrations, and that can be composed of particles of different sizes. The study of this particulate material along water columns plays a key role in understanding a great variety of biological, chemical, and physical processes. This paper presents the conceptual design of two patented robotic platforms that have been conceived for carrying out studies of water properties at desired depths with very high accuracy in the vertical positioning. One platform has been specially designed for operating near to a reservoir bottom, while the other is intended to be used near the surface. Several experimental tests have been conducted in order to validate the proposed approaches. PMID:27589745

  11. Ranking of predictor variables based on effect size criterion provides an accurate means of automatically classifying opinion column articles

    NASA Astrophysics Data System (ADS)

    Legara, Erika Fille; Monterola, Christopher; Abundo, Cheryl

    2011-01-01

    We demonstrate an accurate procedure based on linear discriminant analysis that allows automatic authorship classification of opinion column articles. First, we extract the following stylometric features of 157 column articles from four authors: statistics on high frequency words, number of words per sentence, and number of sentences per paragraph. Then, by systematically ranking these features based on an effect size criterion, we show that we can achieve an average classification accuracy of 93% for the test set. In comparison, frequency size based ranking has an average accuracy of 80%. The highest possible average classification accuracy of our data merely relying on chance is ∼31%. By carrying out sensitivity analysis, we show that the effect size criterion is superior than frequency ranking because there exist low frequency words that significantly contribute to successful author discrimination. Consistent results are seen when the procedure is applied in classifying the undisputed Federalist papers of Alexander Hamilton and James Madison. To the best of our knowledge, the work is the first attempt in classifying opinion column articles, that by virtue of being shorter in length (as compared to novels or short stories), are more prone to over-fitting issues. The near perfect classification for the longer papers supports this claim. Our results provide an important insight on authorship attribution that has been overlooked in previous studies: that ranking discriminant variables based on word frequency counts is not necessarily an optimal procedure.

  12. Interstellar C IV and Si IV column densities toward early-type stars

    NASA Technical Reports Server (NTRS)

    Bruhweiler, F. C.; Kondo, Y.; Mccluskey, G. E.

    1980-01-01

    Equivalent widths and deduced column densities of Si IV and C IV are examined for 18 early-type close binaries, and physical processes responsible for the origin of these ions in the interstellar medium are investigated. The available C IV/Si IV column density ratios typically lie within a narrow range from 0.8 to 4.5, and there is evidence that the column density of C IV is higher than that of N V along most lines of sight, suggesting that C IV is not formed in the same hot region as O VI. In addition, the existence of regions with a narrowly defined new temperature range around 50,000 deg K is indicated. The detection of the semitorrid gas of Bruhweiler, Kondo, and McCluskey (1978, 1979) is substantiated, and the relation of this gas to the observations of coronal gas in the galactic halo is discussed.

  13. Far-infrared Dust Temperatures and Column Densities of the MALT90 Molecular Clump Sample

    NASA Astrophysics Data System (ADS)

    Guzmán, Andrés E.; Sanhueza, Patricio; Contreras, Yanett; Smith, Howard A.; Jackson, James M.; Hoq, Sadia; Rathborne, Jill M.

    2015-12-01

    We present dust column densities and dust temperatures for ˜3000 young, high-mass molecular clumps from the Millimeter Astronomy Legacy Team 90 GHz survey, derived from adjusting single-temperature dust emission models to the far-infrared intensity maps measured between 160 and 870 μm from the Herschel/Herschel Infrared Galactic Plane Survey (Hi-Gal) and APEX/APEX Telescope Large Area Survey of the Galaxy (ATLASGAL) surveys. We discuss the methodology employed in analyzing the data, calculating physical parameters, and estimating their uncertainties. The population average dust temperature of the clumps are 16.8 ± 0.2 K for the clumps that do not exhibit mid-infrared signatures of star formation (quiescent clumps), 18.6 ± 0.2 K for the clumps that display mid-infrared signatures of ongoing star formation but have not yet developed an H ii region (protostellar clumps), and 23.7 ± 0.2 and 28.1 ± 0.3 K for clumps associated with H ii and photo-dissociation regions, respectively. These four groups exhibit large overlaps in their temperature distributions, with dispersions ranging between 4 and 6 K. The median of the peak column densities of the protostellar clump population is 0.20 ± 0.02 g cm-2, which is about 50% higher compared to the median of the peak column densities associated with clumps in the other evolutionary stages. We compare the dust temperatures and column densities measured toward the center of the clumps with the mean values of each clump. We find that in the quiescent clumps, the dust temperature increases toward the outer regions and that these clumps are associated with the shallowest column density profiles. In contrast, molecular clumps in the protostellar or H ii region phase have dust temperature gradients more consistent with internal heating and are associated with steeper column density profiles compared with the quiescent clumps.

  14. THE COLUMN DENSITY VARIANCE IN TURBULENT INTERSTELLAR MEDIA: A FRACTAL MODEL APPROACH

    SciTech Connect

    Seon, Kwang-Il

    2012-12-20

    Fractional Brownian motion structures are used to investigate the dependency of column density variance ({sigma}{sup 2}{sub lnN}) in the turbulent interstellar medium on the variance of three-dimensional density ({sigma}{sup 2}{sub ln{rho}}) and the power-law slope of the density power spectrum. We provide quantitative expressions to infer the three-dimensional density variance, which is not directly observable, from the observable column density variance and spectral slope. We also investigate the relationship between the column density variance and sonic Mach number (M{sub s}) in the hydrodynamic (HD) regime by assuming the spectral slope and density variance to be functions of sonic Mach number, as obtained from the HD turbulence simulations. They are related by the expression {sigma}{sup 2}{sub lnN} = A{sigma}{sub ln{rho}} {sup 2} = Aln (1 + b {sup 2} M{sup 2}{sub s}), suggested by Burkhart and Lazarian for the magnetohydrodynamic case. The proportional constant A varies from Almost-Equal-To 0.2 to Almost-Equal-To 0.4 in the HD regime as the turbulence forcing parameter b increases from 1/3 (purely solenoidal forcing) to 1 (purely compressive forcing). It is also discussed that the parameter A is lowered in the presence of a magnetic field.

  15. Spatial and temporal variations in the column density distribution of comet Halley's CN coma

    NASA Technical Reports Server (NTRS)

    Schulz, Rita; Schlosser, W.; Meisser, W.; Koczet, P.; Celnik, W. E.

    1992-01-01

    Mean radial column density profiles of comet P/Halley's CN coma were derived by combining photographic and photoelectric observations. The shape of the profiles as well as their temporal variations were analyzed in detail and compared with the results of other CN observations of the comet.

  16. Estimation of high-resolution dust column density maps. Empirical model fits

    NASA Astrophysics Data System (ADS)

    Juvela, M.; Montillaud, J.

    2013-09-01

    Context. Sub-millimetre dust emission is an important tracer of column density N of dense interstellar clouds. One has to combine surface brightness information at different spatial resolutions, and specific methods are needed to derive N at a resolution higher than the lowest resolution of the observations. Some methods have been discussed in the literature, including a method (in the following, method B) that constructs the N estimate in stages, where the smallest spatial scales being derived only use the shortest wavelength maps. Aims: We propose simple model fitting as a flexible way to estimate high-resolution column density maps. Our goal is to evaluate the accuracy of this procedure and to determine whether it is a viable alternative for making these maps. Methods: The new method consists of model maps of column density (or intensity at a reference wavelength) and colour temperature. The model is fitted using Markov chain Monte Carlo methods, comparing model predictions with observations at their native resolution. We analyse simulated surface brightness maps and compare its accuracy with method B and the results that would be obtained using high-resolution observations without noise. Results: The new method is able to produce reliable column density estimates at a resolution significantly higher than the lowest resolution of the input maps. Compared to method B, it is relatively resilient against the effects of noise. The method is computationally more demanding, but is feasible even in the analysis of large Herschel maps. Conclusions: The proposed empirical modelling method E is demonstrated to be a good alternative for calculating high-resolution column density maps, even with considerable super-resolution. Both methods E and B include the potential for further improvements, e.g., in the form of better a priori constraints.

  17. TRACING H{sub 2} COLUMN DENSITY WITH ATOMIC CARBON (C I) AND CO ISOTOPOLOGS

    SciTech Connect

    Lo, N.; Bronfman, L.; Cunningham, M. R.; Jones, P. A.; Lowe, V.; Cortes, P. C.; Simon, R.; Fissel, L.; Novak, G.

    2014-12-20

    We present the first results of neutral carbon ([C I] {sup 3} P {sub 1}-{sup 3} P {sub 0} at 492 GHz) and carbon monoxide ({sup 13}CO, J = 1-0) mapping in the Vela Molecular Ridge cloud C (VMR-C) and the G333 giant molecular cloud complexes with the NANTEN2 and Mopra telescopes. For the four regions mapped in this work, we find that [C I] has very similar spectral emission profiles to {sup 13}CO, with comparable line widths. We find that [C I] has an opacity of 0.1-1.3 across the mapped region while the [C I]/{sup 13}CO peak brightness temperature ratio is between 0.2 and 0.8. The [C I] column density is an order of magnitude lower than that of {sup 13}CO. The H{sub 2} column density derived from [C I] is comparable to values obtained from {sup 12}CO. Our maps show that C I is preferentially detected in gas with low temperatures (below 20 K), which possibly explains the comparable H{sub 2} column density calculated from both tracers (both C I and {sup 12}CO underestimate column density), as a significant amount of the C I in the warmer gas is likely in the higher energy state transition ([C I] {sup 3} P {sub 2}-{sup 3} P {sub 1} at 810 GHz), and thus it is likely that observations of both the above [C I] transitions are needed in order to recover the total H{sub 2} column density.

  18. HIDEEP - an extragalactic blind survey for very low column-density neutral hydrogen

    NASA Astrophysics Data System (ADS)

    Minchin, R. F.; Disney, M. J.; Boyce, P. J.; de Blok, W. J. G.; Parker, Q. A.; Banks, G. D.; Freeman, K. C.; Garcia, D. A.; Gibson, B. K.; Grossi, M.; Haynes, R. F.; Knezek, P. M.; Lang, R. H.; Malin, D. F.; Price, R. M.; Stewart, I. M.; Wright, A. E.

    2003-12-01

    We have carried out an extremely long integration time (9000 s beam-1) 21-cm blind survey of 60 deg2 in Centaurus using the Parkes multibeam system. We find that the noise continues to fall as throughout, enabling us to reach an HI column-density limit of 4.2 × 1018 cm-2 for galaxies with a velocity width of 200 km s-1 in the central 32 deg2 region, making this the deepest survey to date in terms of column density sensitivity. The HI data are complemented by very deep optical observations from digital stacking of multi-exposure UK Schmidt Telescope R-band films, which reach an isophotal level of 26.5 R mag arcsec-2 (~=27.5 B mag arcsec-2). 173 HI sources have been found, 96 of which have been uniquely identified with optical counterparts in the overlap area. There is not a single source without an optical counterpart. Although we have not measured the column densities directly, we have inferred them from the optical sizes of their counterparts. All appear to have a column density of NHI= 1020.65+/-0.38. This is at least an order of magnitude above our sensitivity limit, with a scatter only marginally larger than the errors on NHI. This needs explaining. If confirmed it means that HI surveys will only find low surface brightness (LSB) galaxies with high MHI/LB. Gas-rich LSB galaxies with lower HI mass to light ratios do not exist. The paucity of low column-density galaxies also implies that no significant population will be missed by the all-sky HI surveys being carried out at Parkes and Jodrell Bank.

  19. Column densities resulting from shuttle sublimator/evaporator operation. [optical density of nozzle flow containing water vapor

    NASA Technical Reports Server (NTRS)

    Naumann, R. J.

    1973-01-01

    The proposed disposal of H2O from the shuttle fuel cell operation by ejecting it in vapor form through a supersonic nozzle at the rate of 100 lb/day has been investigated from the point of view of the possible interference to astronomical experiments. If the nozzle is located at the tail and directed along the shuttle longitudinal axis, the resulting column density will be less than 10 to th 12th power molecules/sq cm at viewing angles larger than 48 deg above the longitudinal axis. The molecules in the trail will diffuse rapidly. The column density contribution from molecules expelled on the previous orbit is 1.3 x 10 to the 8th power molecules/sq cm. This contribution diminishes by the inverse square root of the number of orbits since the molecules were expelled. The molecular backscatter from atmospheric molecules is also calculated. If the plume is directed into the flight path, the column density along a perpendicular is found to be 1.5 x 10 to the 11th power molecules/sq cm. The return flux is estimated to be of the order of 10 to the 12th power molecules/sq cm/sec at the stagnation point. With reasonable care in design of experiments to protect them from the backscatter flux of water molecules, the expulsion of 100 lb/day does not appear to create an insurmountable difficulty for the shuttle experiments.

  20. 13CO Bell Laboratories Survey: 13CO Column Density Distribution of the First Quadrant of the Galactic Plane

    NASA Astrophysics Data System (ADS)

    Lee, Y.; Kim, H. G.; Stark, A. A.

    2000-05-01

    We present the distribution of 13CO column density of the first quadrant (l = 8 - 90) of the Galactic Plane using the 13CO Bell Laboratories Survey and UMass-Stony Brook 12CO Survey. We estimate the column density channel by channel (with a velocity step of 1 km/sec) with LTE assumption, generating the coumn density cube data for the first quadrant. Spatial resoultion is smoothed into 6 arcminute for whole direction. The highest column density is estimated to be 9.3x1016 cm-2 per channel, which is one of the densest part of the Galactic Ring region. Good correaltionship is found between 13CO integrated instensity and column density. We discuss some charateristics of the column density distribution. This work is supported by Creative Initiative Research Fund 99-NZ-01-01-A-31 of the Ministry of Science and Techonology, Republic of Korea.

  1. FAR-INFRARED DUST TEMPERATURES AND COLUMN DENSITIES OF THE MALT90 MOLECULAR CLUMP SAMPLE

    SciTech Connect

    Guzmán, Andrés E.; Smith, Howard A.; Sanhueza, Patricio; Contreras, Yanett; Rathborne, Jill M.; Jackson, James M.; Hoq, Sadia

    2015-12-20

    We present dust column densities and dust temperatures for ∼3000 young, high-mass molecular clumps from the Millimeter Astronomy Legacy Team 90 GHz survey, derived from adjusting single-temperature dust emission models to the far-infrared intensity maps measured between 160 and 870 μm from the Herschel/Herschel Infrared Galactic Plane Survey (Hi-Gal) and APEX/APEX Telescope Large Area Survey of the Galaxy (ATLASGAL) surveys. We discuss the methodology employed in analyzing the data, calculating physical parameters, and estimating their uncertainties. The population average dust temperature of the clumps are 16.8 ± 0.2 K for the clumps that do not exhibit mid-infrared signatures of star formation (quiescent clumps), 18.6 ± 0.2 K for the clumps that display mid-infrared signatures of ongoing star formation but have not yet developed an H ii region (protostellar clumps), and 23.7 ± 0.2 and 28.1 ± 0.3 K for clumps associated with H ii and photo-dissociation regions, respectively. These four groups exhibit large overlaps in their temperature distributions, with dispersions ranging between 4 and 6 K. The median of the peak column densities of the protostellar clump population is 0.20 ± 0.02 g cm{sup −2}, which is about 50% higher compared to the median of the peak column densities associated with clumps in the other evolutionary stages. We compare the dust temperatures and column densities measured toward the center of the clumps with the mean values of each clump. We find that in the quiescent clumps, the dust temperature increases toward the outer regions and that these clumps are associated with the shallowest column density profiles. In contrast, molecular clumps in the protostellar or H ii region phase have dust temperature gradients more consistent with internal heating and are associated with steeper column density profiles compared with the quiescent clumps.

  2. Validation of Carbon Monoxide and Methane Vertical Column Densities Retrieved from SCIAMACHY Infrared Nadir Observations

    NASA Astrophysics Data System (ADS)

    Hochstaffl, Philipp; Hamidouche, Mourad; Schreier, Franz; Gimeno Garcia, Sebastian; Lichtenberg, Günter

    2016-04-01

    Carbon monoxide and methane are key species of Earth's atmosphere, highly relevant for climate and air quality. Accordingly, a large number of spaceborne sensors are observing these species in the microwave, thermal and near infrared. For the analysis of short wave infrared spectra measured by SCIAMACHY aboard the ENVISAT satellite and similar instrument(s) we had developed the Beer InfraRed Retrieval Algorithm: BIRRA is a separable least squares fit of the measured radiance with respect to molecular column densities and auxiliary parameters (optional: surface albedo, baseline, slit function width, and wavenumber shift). BIRRA has been implemented in the operational SCIAMACHY L1 to 2 processor for the retrieval of CO and CH4 from channel 8 (2.3 mue) and 6 (1.6 mue), respectively. Our tests are based on separate comparisons with existing space or ground-based measurements of carbon monoxide and methane column densities. In this poster intercomparisons of CO and CH4 columns estimated from SCIAMACHY with coincident and co-located retrievals provided by ground-based Fourier transform infrared spectroscopy are provided. More specifically, we have used data from several NDACC (Network for the Detection of Atmospheric Composition Change) and TCCON (Total Carbon Column Observing Network) stations. Our strategy for quality check of these products and the selection of specific geographical areas will be discussed.

  3. The Effect of Noise in Dust Emission Maps on the Derivation of Column Density, Temperature, and Emissivity Spectral Index

    NASA Astrophysics Data System (ADS)

    Schnee, S.; Kauffmann, J.; Goodman, A.; Bertoldi, F.

    2007-03-01

    We have mapped the central 10'×10' of the dense core TMC-1C at 450, 850, and 1200 μm using SCUBA on the James Clerk Maxwell Telescope and MAMBO on the IRAM 30 m telescope. We show that although one can, in principle, use images at these wavelengths to map the emissivity spectral index, temperature, and column density independently, noise and calibration errors would have to be less than ~2% to accurately derive these three quantities from a set of three emission maps. Because our data are not this free of errors, we use our emission maps to fit the dust temperature and column density assuming a constant value of the emissivity spectral index and explore the effects of noise on the derived physical parameters. We find that the derived extinction values for TMC-1C are large for a starless core (~80 mag AV) and the derived temperatures are low (~6 K) in the densest regions of the core, using our derived value of β=1.8.

  4. Photoionized Models of Active Galactic Nuclei : Computional Methods and the Problem of high Column Density Models

    NASA Astrophysics Data System (ADS)

    Collin-Souffrin, S.

    Collin-Souffrin and Dumont (1985) have developped a photoionized code using an exact transfer treatment of line and continuum radiation, particularly adapted to clouds of large column densities which are optically thick in the Balmer and Paschen continuum. With this code it is possible to compare various approximations used in previous works to exact computations, and to suggest the most valuable methods. The author gives a few examples of such comparisons.

  5. Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry

    NASA Astrophysics Data System (ADS)

    Tao, Jianmin; Mo, Yuxiang

    2016-08-01

    Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional exchange hole presents a great challenge, due to the delocalization of the hole. Making use of the property that the hole can be made localized under a general coordinate transformation, here we derive an exchange hole from the density matrix expansion, while the correlation part is obtained by imposing the low-density limit constraint. From the hole, a semilocal exchange-correlation functional is calculated. Our comprehensive test shows that this functional can achieve remarkable accuracy for diverse properties of molecules, solids, and solid surfaces, substantially improving upon the nonempirical functionals proposed in recent years. Accurate semilocal functionals based on their associated holes are physically appealing and practically useful for developing nonlocal functionals.

  6. Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry.

    PubMed

    Tao, Jianmin; Mo, Yuxiang

    2016-08-12

    Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional exchange hole presents a great challenge, due to the delocalization of the hole. Making use of the property that the hole can be made localized under a general coordinate transformation, here we derive an exchange hole from the density matrix expansion, while the correlation part is obtained by imposing the low-density limit constraint. From the hole, a semilocal exchange-correlation functional is calculated. Our comprehensive test shows that this functional can achieve remarkable accuracy for diverse properties of molecules, solids, and solid surfaces, substantially improving upon the nonempirical functionals proposed in recent years. Accurate semilocal functionals based on their associated holes are physically appealing and practically useful for developing nonlocal functionals.

  7. Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry.

    PubMed

    Tao, Jianmin; Mo, Yuxiang

    2016-08-12

    Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional exchange hole presents a great challenge, due to the delocalization of the hole. Making use of the property that the hole can be made localized under a general coordinate transformation, here we derive an exchange hole from the density matrix expansion, while the correlation part is obtained by imposing the low-density limit constraint. From the hole, a semilocal exchange-correlation functional is calculated. Our comprehensive test shows that this functional can achieve remarkable accuracy for diverse properties of molecules, solids, and solid surfaces, substantially improving upon the nonempirical functionals proposed in recent years. Accurate semilocal functionals based on their associated holes are physically appealing and practically useful for developing nonlocal functionals. PMID:27563956

  8. A minimum column density of 1 g cm(-2) for massive star formation.

    PubMed

    Krumholz, Mark R; McKee, Christopher F

    2008-02-28

    Massive stars are very rare, but their extreme luminosities make them both the only type of young star we can observe in distant galaxies and the dominant energy sources in the Universe today. They form rarely because efficient radiative cooling keeps most star--forming gas clouds close to isothermal as they collapse, and this favours fragmentation into stars of one solar mass or lower. Heating of a cloud by accreting low-mass stars within it can prevent fragmentation and allow formation of massive stars, but the necessary properties for a cloud to form massive stars-and therefore where massive stars form in a galaxy--have not yet been determined. Here we show that only clouds with column densities of at least 1 g cm(-2) can avoid fragmentation and form massive stars. This threshold, and the environmental variation of the stellar initial mass function that it implies, naturally explain the characteristic column densities associated with massive star clusters and the difference between the radial profiles of Halpha and ultraviolet emission in galactic disks. The existence of a threshold also implies that the initial mass function should show detectable variation with environment within the Galaxy, that the characteristic column densities of clusters containing massive stars should vary between galaxies, and that star formation rates in some galactic environments may have been systematically underestimated.

  9. OMI NO2 column densities over North American urban cities: the effect of satellite footprint resolution

    NASA Astrophysics Data System (ADS)

    Kim, H. C.; Lee, P.; Judd, L.; Pan, L.; Lefer, B.

    2015-10-01

    Nitrogen dioxide vertical column density (NO2 VCD) measurements via satellite are compared with a fine-scale regional chemistry transport model, using a new approach that considers varying satellite footprint sizes. Space-borne NO2 VCD measurement has been used as a proxy for surface nitrogen oxide (NOx) emission, especially for anthropogenic urban emission, so accurate comparison of satellite and modeled NO2 VCD is important in determining the future direction of NOx emission policy. The National Aeronautics and Space Administration Ozone Monitoring Instrument (OMI) NO2 VCD measurements, retrieved by the Royal Netherlands Meteorological Institute (KNMI), are compared with a 12 km Community Multi-scale Air Quality (CMAQ) simulation from the National Oceanic and Atmospheric Administration. We found that OMI footprint pixel sizes are too coarse to resolve urban NO2 plumes, resulting in a possible underestimation in the urban core and overestimation outside. In order to quantify this effect of resolution geometry, we have made two estimates. First, we constructed pseudo-OMI data using fine-scale outputs of the model simulation. Assuming the fine-scale model output is a true measurement, we then collected real OMI footprint coverages and performed conservative spatial regridding to generate a set of fake OMI pixels out of fine-scale model outputs. When compared to the original data, the pseudo-OMI data clearly showed smoothed signals over urban locations, resulting in roughly 20-30 % underestimation over major cities. Second, we further conducted conservative downscaling of OMI NO2 VCD using spatial information from the fine-scale model to adjust the spatial distribution, and also applied Averaging Kernel (AK) information to adjust the vertical structure. Four-way comparisons were conducted between OMI with and without downscaling and CMAQ with and without AK information. Results show that OMI and CMAQ NO2 VCDs show the best agreement when both downscaling and AK

  10. OMI NO2 column densities over North American urban cities: the effect of satellite footprint resolution

    NASA Astrophysics Data System (ADS)

    Kim, Hyun Cheol; Lee, Pius; Judd, Laura; Pan, Li; Lefer, Barry

    2016-03-01

    Nitrogen dioxide vertical column density (NO2 VCD) measurements via satellite are compared with a fine-scale regional chemistry transport model, using a new approach that considers varying satellite footprint sizes. Space-borne NO2 VCD measurement has been used as a proxy for surface nitrogen oxide (NOx) emission, especially for anthropogenic urban emission, so accurate comparison of satellite and modeled NO2 VCD is important in determining the future direction of NOx emission policy. The NASA Ozone Monitoring Instrument (OMI) NO2 VCD measurements, retrieved by the Royal Netherlands Meteorological Institute (KNMI), are compared with a 12 km Community Multi-scale Air Quality (CMAQ) simulation from the National Oceanic and Atmospheric Administration. We found that the OMI footprint-pixel sizes are too coarse to resolve urban NO2 plumes, resulting in a possible underestimation in the urban core and overestimation outside. In order to quantify this effect of resolution geometry, we have made two estimates. First, we constructed pseudo-OMI data using fine-scale outputs of the model simulation. Assuming the fine-scale model output is a true measurement, we then collected real OMI footprint coverages and performed conservative spatial regridding to generate a set of fake OMI pixels out of fine-scale model outputs. When compared to the original data, the pseudo-OMI data clearly showed smoothed signals over urban locations, resulting in roughly 20-30 % underestimation over major cities. Second, we further conducted conservative downscaling of OMI NO2 VCDs using spatial information from the fine-scale model to adjust the spatial distribution, and also applied averaging kernel (AK) information to adjust the vertical structure. Four-way comparisons were conducted between OMI with and without downscaling and CMAQ with and without AK information. Results show that OMI and CMAQ NO2 VCDs show the best agreement when both downscaling and AK methods are applied, with the correlation

  11. Accurate bulk density determination of irregularly shaped translucent and opaque aerogels

    NASA Astrophysics Data System (ADS)

    Petkov, M. P.; Jones, S. M.

    2016-05-01

    We present a volumetric method for accurate determination of bulk density of aerogels, calculated from extrapolated weight of the dry pure solid and volume estimates based on the Archimedes' principle of volume displacement, using packed 100 μm-sized monodispersed glass spheres as a "quasi-fluid" media. Hard particle packing theory is invoked to demonstrate the reproducibility of the apparent density of the quasi-fluid. Accuracy rivaling that of the refractive index method is demonstrated for both translucent and opaque aerogels with different absorptive properties, as well as for aerogels with regular and irregular shapes.

  12. Calibrating column density tracers with gamma-ray observations of the ρ Ophiuchi molecular cloud

    NASA Astrophysics Data System (ADS)

    Abrahams, Ryan; Teachey, Alex; Paglione, Timothy

    2016-01-01

    Likelihood analyses of gamma-ray counts maps require modeling a variety of presumed emission sources including their spatial extents and spectral shapes. The differences between the observed counts maps and these models often result in significant, spatially coherent residuals. These residuals are distinct from the "dark gas", and persist despite accounting for other gas phases using dust maps or various measures. Given the goal to understand the underlying cosmic ray (CR) density, spectrum, and its spatial variation through the Galactic disk, the distribution and column density of the gas with which the CRs interact must be sensitively constrained. We present a study of the gamma-ray emission from the ρ Ophiuchi molecular cloud seen by Fermi, and compare this emission to a number of column density tracers, including near IR stellar extinction and dust emission. This nearby molecular cloud exhibits a broad dynamic range in extinction, notably atypical dust properties, and a number of embedded B stars which heat the dust and may also act as local CR sources

  13. Surface electron density models for accurate ab initio molecular dynamics with electronic friction

    NASA Astrophysics Data System (ADS)

    Novko, D.; Blanco-Rey, M.; Alducin, M.; Juaristi, J. I.

    2016-06-01

    Ab initio molecular dynamics with electronic friction (AIMDEF) is a valuable methodology to study the interaction of atomic particles with metal surfaces. This method, in which the effect of low-energy electron-hole (e-h) pair excitations is treated within the local density friction approximation (LDFA) [Juaristi et al., Phys. Rev. Lett. 100, 116102 (2008), 10.1103/PhysRevLett.100.116102], can provide an accurate description of both e-h pair and phonon excitations. In practice, its applicability becomes a complicated task in those situations of substantial surface atoms displacements because the LDFA requires the knowledge at each integration step of the bare surface electron density. In this work, we propose three different methods of calculating on-the-fly the electron density of the distorted surface and we discuss their suitability under typical surface distortions. The investigated methods are used in AIMDEF simulations for three illustrative adsorption cases, namely, dissociated H2 on Pd(100), N on Ag(111), and N2 on Fe(110). Our AIMDEF calculations performed with the three approaches highlight the importance of going beyond the frozen surface density to accurately describe the energy released into e-h pair excitations in case of large surface atom displacements.

  14. Total column density variations of ozone (O3) in presence of different types of clouds

    NASA Astrophysics Data System (ADS)

    Meena, G. S.

    2010-06-01

    The zenith sky scattered light spectra were carried out using zenith sky UV-visible spectrometer in clear and cloudy sky conditions during May-November 2000 over the tropical station Pune (18°32'N, 73°51'E). These scattered spectra are obtained in the spectral range 462-498 nm between 75° and 92° solar zenith angles (SZAs). The slant column densities (SCDs) as well as total column densities (TCDs) of NO2, O3, H2O and O4 are derived with different SZAs in clear and cloudy sky conditions. The large enhancements and reductions in TCDs of the above gases are observed in thick cumulonimbus (Cb) clouds and thin high cirrus (Ci) clouds, respectively, compared to clear sky conditions. The enhancements in TCDs of O3 appear to be due to photon diffusion, multiple Mie-scattering and multiple reflections between layered clouds or isolated patches of optically thick clouds. The reductions in TCDs due to optically thin clouds are noticed during the above period. The variations in TCDs of O3 measured under cloudy sky are discussed with total cloud cover (octas) of different types of clouds such as low clouds ( C L ), medium clouds ( C M ) and high clouds ( C H ) during May-November 2000. The variations in TCDs of O3 measured in cloudy sky conditions are found to be well matched with cloud sensitive parameter colour index (CI) and found to be in good correlation. The TCDcloudy are derived using airmass factors (AMFs) computed without considering cloud cover and CI in radiative transfer (RT) model, whereas TCDmodel are derived using AMFs computed with considering cloud cover, cloud height and CI in RT model. The TCDmodel is the column density of illuminated cloudy effect. A good agreement is observed between TCDmodel, TCDDob and TCDGOME.

  15. Screened exchange hybrid density functional for accurate and efficient structures and interaction energies.

    PubMed

    Brandenburg, Jan Gerit; Caldeweyher, Eike; Grimme, Stefan

    2016-06-21

    We extend the recently introduced PBEh-3c global hybrid density functional [S. Grimme et al., J. Chem. Phys., 2015, 143, 054107] by a screened Fock exchange variant based on the Henderson-Janesko-Scuseria exchange hole model. While the excellent performance of the global hybrid is maintained for small covalently bound molecules, its performance for computed condensed phase mass densities is further improved. Most importantly, a speed up of 30 to 50% can be achieved and especially for small orbital energy gap cases, the method is numerically much more robust. The latter point is important for many applications, e.g., for metal-organic frameworks, organic semiconductors, or protein structures. This enables an accurate density functional based electronic structure calculation of a full DNA helix structure on a single core desktop computer which is presented as an example in addition to comprehensive benchmark results. PMID:27240749

  16. Analysis of Mexico City urban air pollution using nitrogen dioxide column density measurements from UV/Visible spectroscopy

    NASA Astrophysics Data System (ADS)

    Garcia Payne, D. G.; Grutter, M.; Melamed, M. L.

    2010-12-01

    The differential optical absorption spectroscopy method (DOAS) was used to get column densities of nitrogen dioxide (NO2) from the analysis of zenith sky UV/visible spectra. Since the optical path length provides critical information in interpreting NO2 column densities, in conjunction with NO2 column densities, the oxygen dimer (O4) column density was retrieved to give insight into the optical path length. We report observations of year round NO2 and O4 column densities (from august 2009 to september 2010) from which the mean seasonal levels and the daily evolution, as well as the occurrence of elevated pollution episodes are examined. Surface nitric oxide (NO) and NO2 from the local monitoring network, as well as wind data and the vertical aerosol density from continuous Lidar measurements are used in the analysis to investigate specific events in the context of local emissions from vehicular traffic, photochemical production and transport from industrial emissions. The NO2 column density measurements will enhance the understanding Mexico City urban air pollution. Recent research has begun to unravel the complexity of the air pollution problem in Mexico City and its effects not only locally but on a regional and global scale as well.

  17. The HRS GTO program to study the neutral hydrogen column density and D/H ratio in the local interstellar medium

    NASA Technical Reports Server (NTRS)

    Linsky, J. L.; Landsman, W. B.; Heap, S. R.; Savage, B. D.; Smith, A. M.; Brandt, J. C.

    1986-01-01

    Theoretical line profiles are presented that demonstrate why 100,000 spectral resolution and high S/N are needed to derive accurate column densities from spectral lines that lie close to the flat part of the curve of growth and may contain multiple velocity components. The aim of the Space Telescope high-resolution-spectrograph observing program is to obtain column densities in the hydrogen and deuterium Lyman alpha lines along a variety of lines of sight within and extending beyond the local cloudlet, in which the sun is located near an edge. The broad chromospheric Lyman alpha emission lines of late-type stars are used as background sources against which to measure the interstellar absorption features. Profiles of interstellar absorption features in Mg II and Fe II lines will be obtained to derive the broadening parameter and/or identify possible multiple velocity components in the lines of sight.

  18. Understanding star formation in molecular clouds. I. Effects of line-of-sight contamination on the column density structure

    NASA Astrophysics Data System (ADS)

    Schneider, N.; Ossenkopf, V.; Csengeri, T.; Klessen, R. S.; Federrath, C.; Tremblin, P.; Girichidis, P.; Bontemps, S.; André, Ph.

    2015-03-01

    Column-density maps of molecular clouds are one of the most important observables in the context of molecular cloud- and star-formation (SF) studies. With the Herschel satellite it is now possible to precisely determine the column density from dust emission, which is the best tracer of the bulk of material in molecular clouds. However, line-of-sight (LOS) contamination from fore- or background clouds can lead to overestimating the dust emission of molecular clouds, in particular for distant clouds. This implies values that are too high for column density and mass, which can potentially lead to an incorrect physical interpretation of the column density probability distribution function (PDF). In this paper, we use observations and simulations to demonstrate how LOS contamination affects the PDF. We apply a first-order approximation (removing a constant level) to the molecular clouds of Auriga and Maddalena (low-mass star-forming), and Carina and NGC 3603 (both high-mass SF regions). In perfect agreement with the simulations, we find that the PDFs become broader, the peak shifts to lower column densities, and the power-law tail of the PDF for higher column densities flattens after correction. All corrected PDFs have a lognormal part for low column densities with a peak at Av ~ 2 mag, a deviation point (DP) from the lognormal at Av(DP) ~ 4-5 mag, and a power-law tail for higher column densities. Assuming an equivalent spherical density distribution ρ ∝ r- α, the slopes of the power-law tails correspond to αPDF = 1.8, 1.75, and 2.5 for Auriga, Carina, and NGC 3603. These numbers agree within the uncertainties with the values of α ≈ 1.5,1.8, and 2.5 determined from the slope γ (with α = 1-γ) obtained from the radial column density profiles (N ∝ rγ). While α ~ 1.5-2 is consistent with a structure dominated by collapse (local free-fall collapse of individual cores and clumps and global collapse), the higher value of α > 2 for NGC 3603 requires a physical

  19. Revising the slant column density retrieval of nitrogen dioxide observed by the Ozone Monitoring Instrument

    NASA Astrophysics Data System (ADS)

    Marchenko, S.; Krotkov, N. A.; Lamsal, L. N.; Celarier, E. A.; Swartz, W. H.; Bucsela, E. J.

    2015-06-01

    Nitrogen dioxide retrievals from the Aura/Ozone Monitoring Instrument (OMI) have been used extensively over the past decade, particularly in the study of tropospheric air quality. Recent comparisons of OMI NO2 with independent data sets and models suggested that the OMI values of slant column density (SCD) and stratospheric vertical column density (VCD) in both the NASA OMNO2 and Royal Netherlands Meteorological Institute DOMINO products are too large, by around 10-40%. We describe a substantially revised spectral fitting algorithm, optimized for the OMI visible light spectrometer channel. The most important changes comprise a flexible adjustment of the instrumental wavelength shifts combined with iterative removal of the ring spectral features; the multistep removal of instrumental noise; iterative, sequential estimates of SCDs of the trace gases in the 402-465 nm range. These changes reduce OMI SCD(NO2) by 10-35%, bringing them much closer to SCDs retrieved from independent measurements and models. The revised SCDs, submitted to the stratosphere-troposphere separation algorithm, give tropospheric VCDs ˜10-15% smaller in polluted regions, and up to ˜30% smaller in unpolluted areas. Although the revised algorithm has been optimized specifically for the OMI NO2 retrieval, our approach could be more broadly applicable.

  20. The structure of galactic HI in directions of low total column density

    NASA Technical Reports Server (NTRS)

    Lockman, F. J.; Jahoda, K.; Mccammon, D.

    1985-01-01

    A detailed 21 cm study of areas of that have the smallest known amount of HI in the northern sky was performed. These observations were corrected for stray radiation. The region of main interest, around alpha = 10(h)45(m), delta = 57 deg 20', has a minimium N(HI) of 4.5 x 10 to the 19th power/sq cm. Spectra taken at 21' resolution over a field 4 x 3 deg in this direction show up to four HI line components. Two, near 0 and -50 km/s, are ubiquitous. There is also a narrow component at -10 km/s attributable to a diffuse cloud covering half of the field, and scattered patches of HI at v -100 km/s. the low and intermediate velocity components have a broad line width and are so smoothly distributed across the region that it is unlikely that they contain significant unresolved angular structure. Eight other low column density directions were also observed. Their spectra typically have several components, but the total column density is always 7 x 10 to the 19th power/sq cm and changes smoothly along a 2 deg strip. Half of the directions show narrow lines arising from weak diffuse HI clouds that contain 0.5 to 3.0 x 10 to the 19th power/sq cm.

  1. Inhomogeneous radiation degradation in polymers studied with a density gradient column

    NASA Astrophysics Data System (ADS)

    Gillen, K. T.; Clough, R. L.

    Radiation dose-rate effects are known to exist in many polymers and are typically caused by oxidation reactions. Since the buildup of oxidation products often leads to an increase in polymer density, a density gradient column was used in a novel way to study the mechanisms responsible for dose-rate effects in a commercial ethylene propylene rubber (EPR) electrical cable insulation material. After various aging conditions, density profiles of samples were obtained by measuring the density of small pieces cut successively from the outside to the inside of the approximately 1-mm thick insulation. By monitoring density profiles as a function of dose rate and total radiation dose, two inhomogeneous mechanisms were found to be responsible for the observed dose-rate effects in this EPR material. At high dose rates, oxygen-diffusion-limited degradation was identified, as evidenced by a density profile which showed increased density near the air-exposed surfaces of the insulation but little change in density in the interior of the sample. As the dose rate was lowered, the oxidation region spread inward until it encompassed the entire sample at dose rates below about 100 krad/hr. The second mechanism, responsible for continuing the dose-rate effects at lower dose rates, appears to involve copper-catalyzed oxidation. This mechanism is often found to be significant in thermal aging studies; evidence that it may also be significant under room-temperature, radiation-aging conditions came from the density profile results, which revealed large increases in density as the inside of the insulation (near the tinned-copper conductor) was approached. For the same total radiation dose, this increase became larger as the dose rate was lowered. Preliminary chemical analysis profiling techniques indicate significantly enhanced copper and tin concentrations as the inside of the insulation is approached, even for insulation stripped from the metallic conductor before aging. This implies that

  2. Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics

    PubMed Central

    Zhang, Ying; Xu, Xin; Goddard, William A.

    2009-01-01

    We develop and validate a density functional, XYG3, based on the adiabatic connection formalism and the Görling–Levy coupling-constant perturbation expansion to the second order (PT2). XYG3 is a doubly hybrid functional, containing 3 mixing parameters. It has a nonlocal orbital-dependent component in the exchange term (exact exchange) plus information about the unoccupied Kohn–Sham orbitals in the correlation part (PT2 double excitation). XYG3 is remarkably accurate for thermochemistry, reaction barrier heights, and nonbond interactions of main group molecules. In addition, the accuracy remains nearly constant with system size. PMID:19276116

  3. Apparatus for accurate density measurements of fluids based on a magnetic suspension balance

    NASA Astrophysics Data System (ADS)

    Gong, Maoqiong; Li, Huiya; Guo, Hao; Dong, Xueqiang; Wu, J. F.

    2012-06-01

    A new apparatus for accurate pressure, density and temperature (p, ρ, T) measurements over wide ranges of (p, ρ, T) (90 K to 290 K; 0 MPa to 3 MPa; 0 kg/m3 to 2000 kg/m3) is described. This apparatus is based on a magnetic suspension balance which applies the Archimedes' buoyancy principle. In order to verify the new apparatus, comprehensive (p, ρ, T) measurements on pure nitrogen were carried out. The maximum relative standard uncertainty is 0.09% in density. The maximum standard uncertainty in temperature is 5 mK, and that in pressure is 250 Pa for 1.5 MPa and 390 Pa for 3MPa full scale range respectively. The experimental data were compared with selected literature data and good agreements were found.

  4. The effect of high column density systems on the measurement of the Lyman-α forest correlation function

    SciTech Connect

    Font-Ribera, Andreu; Miralda-Escudé, Jordi E-mail: miralda@icc.ub.edu

    2012-07-01

    We present a study of the effect of High Column Density (HCD) systems on the Lyα forest correlation function on large scales. We study the effect both numerically, by inserting HCD systems on mock spectra for a specific model, and analytically, in the context of two-point correlations and linear theory. We show that the presence of HCDs substantially contributes to the noise of the correlation function measurement, and systematically alters the measured redshift-space correlation function of the Lyα forest, increasing the value of the density bias factor and decreasing the redshift distortion parameter β{sub α} of the Lyα forest. We provide simple formulae for corrections on these derived parameters, as a function of the mean effective optical depth and bias factor of the host halos of the HCDs, and discuss the conditions under which these expressions should be valid. In practice, precise corrections to the measured parameters of the Lyα forest correlation for the HCD effects are more complex than the simple analytical approximations we present, owing to non-linear effects of the damped wings of the HCD systems and the presence of three-point terms. However, we conclude that an accurate correction for these HCD effects can be obtained numerically and calibrated with observations of the HCD-Lyα cross-correlation. We also discuss an analogous formalism to treat and correct for the contaminating effect of metal lines overlapping the Lyα forest spectra.

  5. DUST SCATTERING IN TURBULENT MEDIA: CORRELATION BETWEEN THE SCATTERED LIGHT AND DUST COLUMN DENSITY

    SciTech Connect

    Seon, Kwang-Il; Witt, Adolf N.

    2013-12-01

    Radiative transfer models in a spherical, turbulent interstellar medium (ISM), in which the photon source is situated at the center, are calculated to investigate the correlation between the scattered light and the dust column density. The medium is modeled using fractional Brownian motion structures that are appropriate for turbulent ISM. The correlation plot between the scattered light and optical depth shows substantial scatter and deviation from simple proportionality. It was also found that the overall density contrast is smoothed out in scattered light. In other words, there is an enhancement of the dust-scattered flux in low-density regions, while the scattered flux is suppressed in high-density regions. The correlation becomes less significant as the scattering becomes closer to being isotropic and the medium becomes more turbulent. Therefore, the scattered light observed in near-infrared wavelengths would show much weaker correlation than the observations in optical and ultraviolet wavelengths. We also find that the correlation plot between scattered lights at two different wavelengths shows a tighter correlation than that of the scattered light versus the optical depth.

  6. SCAN: An Efficient Density Functional Yielding Accurate Structures and Energies of Diversely-Bonded Materials

    NASA Astrophysics Data System (ADS)

    Sun, Jianwei

    The accuracy and computational efficiency of the widely used Kohn-Sham density functional theory (DFT) are limited by the approximation to its exchange-correlation energy Exc. The earliest local density approximation (LDA) overestimates the strengths of all bonds near equilibrium (even the vdW bonds). By adding the electron density gradient to model Exc, generalized gradient approximations (GGAs) generally soften the bonds to give robust and overall more accurate descriptions, except for the vdW interaction which is largely lost. Further improvement for covalent, ionic, and hydrogen bonds can be obtained by the computationally more expensive hybrid GGAs, which mix GGAs with the nonlocal exact exchange. Meta-GGAs are still semilocal in computation and thus efficient. Compared to GGAs, they add the kinetic energy density that enables them to recognize and accordingly treat different bonds, which no LDA or GGA can. We show here that the recently developed non-empirical strongly constrained and appropriately normed (SCAN) meta-GGA improves significantly over LDA and the standard Perdew-Burke-Ernzerhof GGA for geometries and energies of diversely-bonded materials (including covalent, metallic, ionic, hydrogen, and vdW bonds) at comparable efficiency. Often SCAN matches or improves upon the accuracy of a hybrid functional, at almost-GGA cost. This work has been supported by NSF under DMR-1305135 and CNS-09-58854, and by DOE BES EFRC CCDM under DE-SC0012575.

  7. The Carina Nebula and Gum 31 molecular complex - I. Molecular gas distribution, column densities, and dust temperatures

    NASA Astrophysics Data System (ADS)

    Rebolledo, David; Burton, Michael; Green, Anne; Braiding, Catherine; Molinari, Sergio; Wong, Graeme; Blackwell, Rebecca; Elia, Davide; Schisano, Eugenio

    2016-03-01

    We report high-resolution observations of the 12CO(1-0) and 13CO(1-0) molecular lines in the Carina Nebula and the Gum 31 region obtained with the 22-m Mopra telescope as part of The Mopra Southern Galactic Plane CO Survey. We cover 8 deg2 from l = 285° to 290°, and from b = -1.5° to +0.5°. The molecular gas column density distributions from both tracers have a similar range of values. By fitting a grey-body function to the observed infrared spectral energy distribution from Herschel maps, we derive gas column densities and dust temperatures. The gas column density has values in the range from 6.3 × 1020 to 1.4 × 1023 cm-2, while the dust temperature has values in the range from 17 to 43 K. The gas column density derived from the dust emission is approximately described by a lognormal function for a limited range of column densities. A high-column-density tail is clearly evident for the gas column density distribution, which appears to be a common feature in regions with active star formation. There are regional variations in the fraction of the mass recovered by the CO emission lines with respect to the total mass traced by the dust emission. These variations may be related to changes in the radiation field strength, variation of the atomic to molecular gas fraction across the observed region, differences in the CO molecule abundance with respect to H2, and evolutionary stage differences of the molecular clouds that compose the Carina Nebula-Gum 31 complex.

  8. Intercomparison of Near Infrared SCIAMACHY and Thermal Infrared Nadir Vertical Column Densities

    NASA Astrophysics Data System (ADS)

    Schreier, Franz; Gimeno-Garcia, Sebastian; Lichtenberg, Gunter; Hess, Michael

    2010-12-01

    Nadir infrared (IR) sounding can be used to derive information on trace gases relevant for climate and air quality. For vertical column density retrievals using SCIAMACHY near IR nadir observations, the BIRRA (Beer InfraRed Retrieval Algorithm) code has recently been implemented in the operational level 1 - 2 processor. For analysis of thermal IR nadir observations of AIRS, GOSAT, IASI, or TES, a closely related code CERVISA (Column EstimatoR Vertical Infrared Sounding of the Atmosphere) has been developed. Both codes share a large portion of modules, e.g., for line-by-line absorption and the nonlinear least squares solver. The essential difference is the part of the forward model devoted to radiative transfer through the atmosphere, i.e., Beer's law for the near IR versus Schwarzschild's equation for the thermal IR. For the ongoing validation of the BIRRA carbon monoxide CO and methane CH4 products inter-comparisons with thermal IR sounding data are performed. CERVISA retrieval results are compared both to the operational products of the IR sounder considered and to SCIAMACHY products retrieved with BIRRA.

  9. NO2 Total and Tropospheric Vertical Column Densities from OMI on EOS Aura: Update

    NASA Technical Reports Server (NTRS)

    Gleason, J.F.; Bucsela, E.J.; Celarier, E.A.; Veefkind, J.P.; Kim, S.W.; Frost, G.F.

    2009-01-01

    The Ozone Monitoring Instrument (OMI), which is on the EOS AURA satellite, retrieves vertical column densities (VCDs) of NO2, along with those of several other trace gases. The relatively high spatial resolution and daily global coverage of the instrument make it particularly well-suited to monitoring tropospheric pollution at scales on the order of 20 km. The OMI NO2 algorithm distinguishes polluted regions from background stratospheric NO2 using a separation algorithm that relies on the smoothly varying stratospheric NO2 and estimations of both stratospheric and tropospheric air mass factors (AMFs). Version 1 of OMI NO2 data has been released for public use. An overview of OMI NO2 data, some recent results and a description of the improvements for version 2 of the algorithm will be presented.

  10. The column density distribution of hard X-ray radio galaxies

    NASA Astrophysics Data System (ADS)

    Panessa, F.; Bassani, L.; Landi, R.; Bazzano, A.; Dallacasa, D.; La Franca, F.; Malizia, A.; Venturi, T.; Ubertini, P.

    2016-09-01

    In order to investigate the role of absorption in active galactic nuclei (AGN) with jets, we have studied the column density distribution of a hard X-ray selected sample of radio galaxies, derived from the INTEGRAL/Imager on Board the Integral Satellite (IBIS) and Swift/The Burst Alert Telescope (BAT) AGN catalogues (˜7-10 per cent of the total AGN population). The 64 radio galaxies have a typical FR II radio morphology and are characterized by high 20-100 keV luminosities (from 1042 to 1046 erg s-1) and high Eddington ratios (log LBol/LEdd typically larger than ˜0.01). The observed fraction of absorbed AGN (NH > 1022 cm-2) is around 40 per cent among the total sample, and ˜75 per cent among type 2 AGN. The majority of obscured AGN are narrow-line objects, while unobscured AGN are broad-line objects, obeying to the zeroth-order predictions of unified models. A significant anti-correlation between the radio core dominance parameter and the X-ray column density is found. The observed fraction of Compton thick AGN is ˜2-3 per cent, in comparison with the 5-7 per cent found in radio-quiet hard X-ray selected AGN. We have estimated the absorption and Compton thick fractions in a hard X-ray sample containing both radio galaxies and non-radio galaxies and therefore affected by the same selection biases. No statistical significant difference was found in the absorption properties of radio galaxies and non-radio galaxies sample. In particular, the Compton thick objects are likely missing in both samples and the fraction of obscured radio galaxies appears to decrease with luminosity as observed in hard X-ray non-radio galaxies.

  11. Retrieval of tropospheric column densities of NO2 from combined SCIAMACHY nadir/limb measurements

    NASA Astrophysics Data System (ADS)

    Beirle, S.; Kühl, S.; Puä·Ä«Te, J.; Wagner, T.

    2010-02-01

    The SCIAMACHY instrument onboard the ESA satellite ENVISAT allows measurements of various atmospheric trace gases, such as NO2. A unique feature of SCIAMACHY is that measurements are made alternately in limb and nadir mode. The limb measurements provide an opportunity for directly determining stratospheric column densities (CDs), which are needed to extract tropospheric CDs from the total CD measurements performed in (quasi simultaneous) nadir geometry. Here we discuss the potential and limitations of SCIAMACHY limb measurements for estimating stratospheric CDs of NO2 in comparison to a simple reference sector method, and the consequences for the resulting tropospheric CDs. A direct, absolute limb correction scheme is presented that improves spatial patterns of tropospheric NO2 column densities at high latitudes, but results in artificial zonal stripes at low latitudes. Subsequently, a relative limb correction scheme is introduced that successfully reduces stratospheric artefacts in the tropospheric data product without introducing new ones. This relative limb correction scheme is rather simple, robust, and, in essence, based on measurements alone. The effects of the different stratospheric estimation schemes on tropospheric CDs are discussed with respect to zonal and temporal dependencies. In addition, we define error quantities from the nadir/limb measurements that indicate remaining systematic errors as a function of latitude and day. Our new suggested stratospheric estimation scheme, the relative limb correction, improves mean tropospheric slant CDs significantly, e.g. from -1×1015 molec/cm2 (using a reference sector method) to ≍0 in the Atlantic ocean, and from +1×1015 molec/cm2 to ≍0 over Siberia, at 50° N in January 2003-2008.

  12. Procedure for accurate fabrication of tissue compensators with high-density material

    NASA Astrophysics Data System (ADS)

    Mejaddem, Younes; Lax, Ingmar; Adakkai K, Shamsuddin

    1997-02-01

    An accurate method for producing compensating filters using high-density material (Cerrobend) is described. The procedure consists of two cutting steps in a Styrofoam block: (i) levelling a surface of the block to a reference level; (ii) depth-modulated milling of the levelled block in accordance with pre-calculated thickness profiles of the compensator. The calculated thickness (generated by a dose planning system) can be reproduced within acceptable accuracy. The desired compensator thickness manufactured according to this procedure is reproduced to within 0.1 mm, corresponding to a 0.5% change in dose at a beam quality of 6 MV. The results of our quality control checks performed with the technique of stylus profiling measurements show an accuracy of 0.04 mm in the milling process over an arbitrary profile along the milled-out Styrofoam block.

  13. Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional

    NASA Astrophysics Data System (ADS)

    Sun, Jianwei; Remsing, Richard C.; Zhang, Yubo; Sun, Zhaoru; Ruzsinszky, Adrienn; Peng, Haowei; Yang, Zenghui; Paul, Arpita; Waghmare, Umesh; Wu, Xifan; Klein, Michael L.; Perdew, John P.

    2016-09-01

    One atom or molecule binds to another through various types of bond, the strengths of which range from several meV to several eV. Although some computational methods can provide accurate descriptions of all bond types, those methods are not efficient enough for many studies (for example, large systems, ab initio molecular dynamics and high-throughput searches for functional materials). Here, we show that the recently developed non-empirical strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) within the density functional theory framework predicts accurate geometries and energies of diversely bonded molecules and materials (including covalent, metallic, ionic, hydrogen and van der Waals bonds). This represents a significant improvement at comparable efficiency over its predecessors, the GGAs that currently dominate materials computation. Often, SCAN matches or improves on the accuracy of a computationally expensive hybrid functional, at almost-GGA cost. SCAN is therefore expected to have a broad impact on chemistry and materials science.

  14. Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional.

    PubMed

    Sun, Jianwei; Remsing, Richard C; Zhang, Yubo; Sun, Zhaoru; Ruzsinszky, Adrienn; Peng, Haowei; Yang, Zenghui; Paul, Arpita; Waghmare, Umesh; Wu, Xifan; Klein, Michael L; Perdew, John P

    2016-09-01

    One atom or molecule binds to another through various types of bond, the strengths of which range from several meV to several eV. Although some computational methods can provide accurate descriptions of all bond types, those methods are not efficient enough for many studies (for example, large systems, ab initio molecular dynamics and high-throughput searches for functional materials). Here, we show that the recently developed non-empirical strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) within the density functional theory framework predicts accurate geometries and energies of diversely bonded molecules and materials (including covalent, metallic, ionic, hydrogen and van der Waals bonds). This represents a significant improvement at comparable efficiency over its predecessors, the GGAs that currently dominate materials computation. Often, SCAN matches or improves on the accuracy of a computationally expensive hybrid functional, at almost-GGA cost. SCAN is therefore expected to have a broad impact on chemistry and materials science. PMID:27554409

  15. [The retrieval of ozone column densities by passive differential optical absorption spectroscopy during summer at Zhongshan Station, Antarctic].

    PubMed

    Luo, Yu-Han; Liu, Wen-Qing; Bian, Lin-Gen; Lu, Chang-Gui; Xie, Pin-Hua; Si, Fu-Qi; Sun, Li-Guang

    2011-02-01

    Daily ozone column densities were monitored by Passive DOAS (differential optical absorption spectroscopy) from December 10th, 2008 to Feb 19th, 2009 at Zhongshan Station, Antarctic (69 degrees 22'24" S, 76 degrees 22'14" E). Considering the absorption of O3, OClO, NO2, O4, BrO and the Ring effect, ozone slant column densities were retrieved using the zenith scattered sunlight as the light source. The results showed that there was no obvious "ozone hole" during the monitoring period, but ozone VCD (vertical column density) had greatly changed within short time scale, especially in middle December and early February. The analysis of passive DOAS and Brewer measurements of ozone VCD showed good agreement with the correlative coefficient of 0.863, while satellite board OMI measurements with the correlative coefficient of 0.840, which confirmed the validity of the monitoring of Passive DOAS. PMID:21510403

  16. Impact of Spectroscopic Line Parameters on Carbon Monoxide Column Density Retrievals from Shortwave Infrared Nadir Observations

    NASA Astrophysics Data System (ADS)

    Schmidt, Denise; Gimeno Garcia, Sebastian; Schreier, Franz; Lichtenberg, Gunter

    2015-06-01

    Among the various input data required for the retrieval of atmospheric state parameters from infrared remote sensing observations molecular spectroscopy line data have a central role, because their quality is critical for the quality of the final product. Here we discuss the impact of the line parameters on vertical column densities (VCD) estimated from short wave infrared nadir observations. Using BIRRA (the Beer InfraRed Retrieval Algorithm) comprising a line-by-line radiative transfer code (forward model) and a separable nonlinear least squares solver for inversion we retrieve carbon monoxide from observations of SCIAMACHY aboard Envisat. Retrievals using recent versions of HITRAN und GEISA have been performed and the results are compared in terms of residual norms, molecular density scaling factors, their corresponding errors, and the final VCD product. The retrievals turn out to be quite similar for all three databases, so a definite recommendation in favor of one of these databases is difficult for the considered spectral range around 2:3 μm . Nevertheless, HITRAN 2012 appears to be advantageous when evaluating the different quality criteria.

  17. Accurate and systematically improvable density functional theory embedding for correlated wavefunctions

    SciTech Connect

    Goodpaster, Jason D.; Barnes, Taylor A.; Miller, Thomas F.; Manby, Frederick R.

    2014-05-14

    We analyze the sources of error in quantum embedding calculations in which an active subsystem is treated using wavefunction methods, and the remainder using density functional theory. We show that the embedding potential felt by the electrons in the active subsystem makes only a small contribution to the error of the method, whereas the error in the nonadditive exchange-correlation energy dominates. We test an MP2 correction for this term and demonstrate that the corrected embedding scheme accurately reproduces wavefunction calculations for a series of chemical reactions. Our projector-based embedding method uses localized occupied orbitals to partition the system; as with other local correlation methods, abrupt changes in the character of the localized orbitals along a reaction coordinate can lead to discontinuities in the embedded energy, but we show that these discontinuities are small and can be systematically reduced by increasing the size of the active region. Convergence of reaction energies with respect to the size of the active subsystem is shown to be rapid for all cases where the density functional treatment is able to capture the polarization of the environment, even in conjugated systems, and even when the partition cuts across a double bond.

  18. Remotely operable compact instruments for measuring atmospheric CO2 and CH4 column densities at surface monitoring sites

    NASA Astrophysics Data System (ADS)

    Kobayashi, N.; Inoue, G.; Kawasaki, M.; Yoshioka, H.; Minomura, M.; Murata, I.; Nagahama, T.; Matsumi, Y.; Ibuki, T.

    2010-04-01

    Remotely operable compact instruments for measuring atmospheric CO2 and CH4 column densities were developed in two independent systems: one utilizing a grating-based desktop optical spectrum analyzer (OSA) with a resolution enough to resolve rotational lines of CO2 and CH4 in the region of 1565-1585 and 1674-1682 nm, respectively; the other is an application of an optical fiber Fabry-Perot interferometer (FFPI) to the CO2 column density. Direct sunlight was collimated via a small telescope installed on a portable sun tracker and then transmitted through an optical fiber into the OSA or the FFPI for optical analysis. The near infrared spectra of the OSA were retrieved by a least squares spectral fitting algorithm. The CO2 and CH4 column densities deduced were in excellent agreement with those measured by a Fourier transform spectrometer with high resolution. The rovibronic lines in the wavelength region of 1570-1575 nm were analyzed by the FFPI. The I0 and I values in the Beer-Lambert law equation to obtain CO2 column density were deduced by modulating temperature of the FFPI, which offered column CO2 with the statistical error less than 0.2% for six hours measurement.

  19. Remotely operable compact instruments for measuring atmospheric CO2 and CH4 column densities at surface monitoring sites

    NASA Astrophysics Data System (ADS)

    Kobayashi, N.; Inoue, G.; Kawasaki, M.; Yoshioka, H.; Minomura, M.; Murata, I.; Nagahama, T.; Matsumi, Y.; Tanaka, T.; Morino, I.; Ibuki, T.

    2010-08-01

    Remotely operable compact instruments for measuring atmospheric CO2 and CH4 column densities were developed in two independent systems: one utilizing a grating-based desktop optical spectrum analyzer (OSA) with a resolution enough to resolve rotational lines of CO2 and CH4 in the regions of 1565-1585 and 1674-1682 nm, respectively; the other is an application of an optical fiber Fabry-Perot interferometer (FFPI) to obtain the CO2 column density. Direct sunlight was collimated via a small telescope installed on a portable sun tracker and then transmitted through an optical fiber into the OSA or the FFPI for optical analysis. The near infrared spectra of the OSA were retrieved by a least squares spectral fitting algorithm. The CO2 and CH4 column densities deduced were in excellent agreement with those measured by a Fourier transform spectrometer with high resolution. The rovibronic lines in the wavelength region of 1570-1575 nm were analyzed by the FFPI. The I0 and I values in the Beer-Lambert law equation to obtain CO2 column density were deduced by modulating temperature of the FFPI, which offered column CO2 with the statistical error less than 0.2% for six hours measurement.

  20. Isolation of Plasmodium berghei ookinetes in culture using Nycodenz density gradient columns and magnetic isolation.

    PubMed

    Carter, Victoria; Cable, Hazel C; Underhill, B Ann; Williams, Jackie; Hurd, Hilary

    2003-11-01

    BACKGROUND: Large scale in vitro production of the mosquito stages of malaria parasites remains elusive, with only limited success for complete sporogonic development and only one report of development through to infective sporozoites. The initial step in this process is the production, in vitro, of ookinetes from gametocytaemic blood. Methods for isolation of these ookinetes from blood cells have been described; however, in addition to yield often being low, processing time and potential for contamination by erythrocytes remain high. METHODS: This study compares two procedures for retaining mature ookinetes from blood stage cultures, whilst removing red blood cells and other contaminants prior to further culture of the parasite. The well established method of isolation on Nycodenz cushions is compared with a novel method utilizing the innate magnetic properties of the haem pigment crystals found in the cytoplasm of ookinetes. RESULTS: Yield and viability of ookinetes were similar with both isolation methods. However, in our hands magnetic isolation produced a cleaner ookinete preparation much more quickly. Moreover, decreasing the flow rate through the magnetic column could further enhance the yield. CONCLUSION: We recommend the enrichment of an ookinete preparation prior to further culture being performed using the magnetic properties of Plasmodium berghei ookinetes as an alternative to their density. The former technique is faster, removes more erythrocytes, but day-to-day costs are greater.

  1. Sulfur dioxide (SO2) vertical column density measurements by Pandora spectrometer over the Canadian oil sands

    NASA Astrophysics Data System (ADS)

    Fioletov, Vitali E.; McLinden, Chris A.; Cede, Alexander; Davies, Jonathan; Mihele, Cristian; Netcheva, Stoyka; Li, Shao-Meng; O'Brien, Jason

    2016-07-01

    Vertical column densities (VCDs) of SO2 retrieved by a Pandora spectral sun photometer at Fort McKay, Alberta, Canada, from 2013 to 2015 were analysed. The Fort McKay site is located in the Canadian oil sands region, approximately 20 km north of two major SO2 sources (upgraders), with total emission of about 45 kt yr-1. Elevated SO2 VCD values were frequently recorded by the instrument, with the highest values of about 9 Dobson Units (DU; DU = 2.69 × 1016 molecules cm-2). Comparisons with co-located in situ measurements demonstrated that there was a very good correlation between VCDs and surface concentrations in some cases, while in other cases, elevated VCDs did not correspond to high surface concentrations, suggesting the plume was above the ground. Elevated VCDs and surface concentrations were observed when the wind direction was from south to southeast, i.e. from the direction of the two local SO2 sources. The precision of the SO2 measurements, estimated from parallel measurements by two Pandora instruments at Toronto, is 0.17 DU. The total uncertainty of Pandora SO2 VCD, estimated using measurements when the wind direction was away from the sources, is less than 0.26 DU (1σ). Comparisons with integrated SO2 profiles from concurrent aircraft measurements support these estimates.

  2. Improved retrieval of nitrogen dioxide (NO2) column densities by means of MKIV Brewer spectrophotometers

    NASA Astrophysics Data System (ADS)

    Diémoz, H.; Siani, A. M.; Redondas, A.; Savastiouk, V.; McElroy, C. T.

    2014-07-01

    A new algorithm to retrieve nitrogen dioxide (NO2) column densities using MKIV Brewer spectrophotometers is described. The method includes several improvements, such as a more recent spectroscopic dataset, the reduction of the measurement noise and interferences by other atmospheric species and instrumental settings, and a better determination of the air mass enhancement factors. The technique was tested during an ad-hoc calibration campaign at the high-altitude site of Izaña (Tenerife, Spain) and provided results compatible to those obtained from a spectrometer associated to the Network for the Detection of Atmospheric Composition Change (NDACC), with deviations of less than 0.02 DU. To determine the extraterrestrial constant, an easily implementable generalisation of the standard Langley technique was developed which takes into account the daytime linear drift of nitrogen dioxide due to the photochemistry. Estimates obtained from different observation geometries, by collecting the light from either the sun or the zenith sky, were found to be comparable within the measurement uncertainty. The latter was thoroughly determined by using a Monte Carlo technique. Finally, a method to retrieve additional products such as the degree of linear polarisation of the zenith sky and the oxygen dimer optical depth is presented. The new algorithm is backward-compatible, thus allowing for the reprocessing of historical datasets.

  3. Near infrared nadir sounding of vertical column densities: methodology and application to SCIAMACHY

    NASA Astrophysics Data System (ADS)

    Gimeno García, S.; Schreier, F.; Lichtenberg, G.; Slijkhuis, S.

    2011-06-01

    Nadir observations with the shortwave infrared channels of SCIAMACHY onboard the ENVISAT satellite can be used to derive information on atmospheric gases such as CO, CH4, N2O, CO2, and H2O. For the operational level 1b-2 processing of SCIAMACHY data a new retrieval code BIRRA (Beer InfraRed Retrieval Algorithm) has been developed: BIRRA performs a nonlinear least squares fit of the measured radiance, where molecular concentration vertical profiles are scaled to fit the observed data. Here we present the forward modeling (radiative transfer) and inversion (least squares optimization) fundamentals of the code along with the further processing steps required to generate higher level products such as global distributions and time series. Moreover, various aspects of level 1 (observed spectra) and auxiliary input data relevant for successful retrievals are discussed. BIRRA is currently used for operational analysis of carbon monoxide vertical column densities from SCIAMACHY channel 8 observations, and is being prepared for methane retrievals using channel 6 spectra. A set of representative CO retrievals and first CH4 results are presented to demonstrate BIRRA's capabilities.

  4. Near infrared nadir retrieval of vertical column densities: methodology and application to SCIAMACHY

    NASA Astrophysics Data System (ADS)

    Gimeno García, S.; Schreier, F.; Lichtenberg, G.; Slijkhuis, S.

    2011-12-01

    Nadir observations with the shortwave infrared channels of SCIAMACHY on-board the ENVISAT satellite can be used to derive information on atmospheric gases such as CO, CH4, N2O, CO2, and H2O. For the operational level 1b-2 processing of SCIAMACHY data, a new retrieval code BIRRA (Beer InfraRed Retrieval Algorithm) has been developed. BIRRA performs a nonlinear or separable least squares fit (with bound constraints optional) of the measured radiance, where molecular concentration vertical profiles are scaled to fit the observed data. Here we present the forward modeling (radiative transfer) and inversion (least squares optimization) fundamentals of the code along with the further processing steps required to generate higher level products such as global distributions and time series. Moreover, various aspects of level 1 (observed spectra) and auxiliary input data relevant for successful retrievals are discussed. BIRRA is currently used for operational analysis of carbon monoxide vertical column densities from SCIAMACHY channel 8 observations, and is being prepared for methane retrievals using channel 6 spectra. A set of representative CO retrievals and first CH4 results are presented to demonstrate BIRRA's capabilities.

  5. Comet P/Giacobini-Zinner electron and H2O(+) column densities from ICE and ground-based observations

    NASA Technical Reports Server (NTRS)

    Meyer-Vernet, N.; Steinberg, J. L.; Strauss, Michael A.; Spinrad, H.; Mccarthy, Patrick J.

    1987-01-01

    An H2O(+) spatial mission profile, extracted from an optical CCD spectrogram obtained during the ICE/Giacobini-Zinner encounter, is compared to the electron-density profile that was deduced from in situ measurements by the radio experiment aboard ICE. The electron column density along a line of sight has two components, one from the spherically symmetric coma, and the second from a thin plasma sheet, whenever it is along the line of sight. The deduced electron column-density profile agrees well with the observed H2O(+) emission profile. It is concluded that the electrons and the H2O(+) ions are distributed similarly 9600 km tailward from the cometary nucleus, that the ratio of number densities of H2O(+) ions to electrons is about 1/4 at this point, and that the width of the plasma sheet is about 16,000 km.

  6. mBEEF: An accurate semi-local Bayesian error estimation density functional

    NASA Astrophysics Data System (ADS)

    Wellendorff, Jess; Lundgaard, Keld T.; Jacobsen, Karsten W.; Bligaard, Thomas

    2014-04-01

    We present a general-purpose meta-generalized gradient approximation (MGGA) exchange-correlation functional generated within the Bayesian error estimation functional framework [J. Wellendorff, K. T. Lundgaard, A. Møgelhøj, V. Petzold, D. D. Landis, J. K. Nørskov, T. Bligaard, and K. W. Jacobsen, Phys. Rev. B 85, 235149 (2012)]. The functional is designed to give reasonably accurate density functional theory (DFT) predictions of a broad range of properties in materials physics and chemistry, while exhibiting a high degree of transferability. Particularly, it improves upon solid cohesive energies and lattice constants over the BEEF-vdW functional without compromising high performance on adsorption and reaction energies. We thus expect it to be particularly well-suited for studies in surface science and catalysis. An ensemble of functionals for error estimation in DFT is an intrinsic feature of exchange-correlation models designed this way, and we show how the Bayesian ensemble may provide a systematic analysis of the reliability of DFT based simulations.

  7. A fast tree-based method for estimating column densities in adaptive mesh refinement codes. Influence of UV radiation field on the structure of molecular clouds

    NASA Astrophysics Data System (ADS)

    Valdivia, Valeska; Hennebelle, Patrick

    2014-11-01

    Context. Ultraviolet radiation plays a crucial role in molecular clouds. Radiation and matter are tightly coupled and their interplay influences the physical and chemical properties of gas. In particular, modeling the radiation propagation requires calculating column densities, which can be numerically expensive in high-resolution multidimensional simulations. Aims: Developing fast methods for estimating column densities is mandatory if we are interested in the dynamical influence of the radiative transfer. In particular, we focus on the effect of the UV screening on the dynamics and on the statistical properties of molecular clouds. Methods: We have developed a tree-based method for a fast estimate of column densities, implemented in the adaptive mesh refinement code RAMSES. We performed numerical simulations using this method in order to analyze the influence of the screening on the clump formation. Results: We find that the accuracy for the extinction of the tree-based method is better than 10%, while the relative error for the column density can be much more. We describe the implementation of a method based on precalculating the geometrical terms that noticeably reduces the calculation time. To study the influence of the screening on the statistical properties of molecular clouds we present the probability distribution function of gas and the associated temperature per density bin and the mass spectra for different density thresholds. Conclusions: The tree-based method is fast and accurate enough to be used during numerical simulations since no communication is needed between CPUs when using a fully threaded tree. It is then suitable to parallel computing. We show that the screening for far UV radiation mainly affects the dense gas, thereby favoring low temperatures and affecting the fragmentation. We show that when we include the screening, more structures are formed with higher densities in comparison to the case that does not include this effect. We

  8. Accurate description of van der Waals complexes by density functional theory including empirical corrections.

    PubMed

    Grimme, Stefan

    2004-09-01

    An empirical method to account for van der Waals interactions in practical calculations with the density functional theory (termed DFT-D) is tested for a wide variety of molecular complexes. As in previous schemes, the dispersive energy is described by damped interatomic potentials of the form C6R(-6). The use of pure, gradient-corrected density functionals (BLYP and PBE), together with the resolution-of-the-identity (RI) approximation for the Coulomb operator, allows very efficient computations for large systems. Opposed to previous work, extended AO basis sets of polarized TZV or QZV quality are employed, which reduces the basis set superposition error to a negligible extend. By using a global scaling factor for the atomic C6 coefficients, the functional dependence of the results could be strongly reduced. The "double counting" of correlation effects for strongly bound complexes is found to be insignificant if steep damping functions are employed. The method is applied to a total of 29 complexes of atoms and small molecules (Ne, CH4, NH3, H2O, CH3F, N2, F2, formic acid, ethene, and ethine) with each other and with benzene, to benzene, naphthalene, pyrene, and coronene dimers, the naphthalene trimer, coronene. H2O and four H-bonded and stacked DNA base pairs (AT and GC). In almost all cases, very good agreement with reliable theoretical or experimental results for binding energies and intermolecular distances is obtained. For stacked aromatic systems and the important base pairs, the DFT-D-BLYP model seems to be even superior to standard MP2 treatments that systematically overbind. The good results obtained suggest the approach as a practical tool to describe the properties of many important van der Waals systems in chemistry. Furthermore, the DFT-D data may either be used to calibrate much simpler (e.g., force-field) potentials or the optimized structures can be used as input for more accurate ab initio calculations of the interaction energies.

  9. Predicting accurate fluorescent spectra for high molecular weight polycyclic aromatic hydrocarbons using density functional theory

    NASA Astrophysics Data System (ADS)

    Powell, Jacob; Heider, Emily C.; Campiglia, Andres; Harper, James K.

    2016-10-01

    The ability of density functional theory (DFT) methods to predict accurate fluorescence spectra for polycyclic aromatic hydrocarbons (PAHs) is explored. Two methods, PBE0 and CAM-B3LYP, are evaluated both in the gas phase and in solution. Spectra for several of the most toxic PAHs are predicted and compared to experiment, including three isomers of C24H14 and a PAH containing heteroatoms. Unusually high-resolution experimental spectra are obtained for comparison by analyzing each PAH at 4.2 K in an n-alkane matrix. All theoretical spectra visually conform to the profiles of the experimental data but are systematically offset by a small amount. Specifically, when solvent is included the PBE0 functional overestimates peaks by 16.1 ± 6.6 nm while CAM-B3LYP underestimates the same transitions by 14.5 ± 7.6 nm. These calculated spectra can be empirically corrected to decrease the uncertainties to 6.5 ± 5.1 and 5.7 ± 5.1 nm for the PBE0 and CAM-B3LYP methods, respectively. A comparison of computed spectra in the gas phase indicates that the inclusion of n-octane shifts peaks by +11 nm on average and this change is roughly equivalent for PBE0 and CAM-B3LYP. An automated approach for comparing spectra is also described that minimizes residuals between a given theoretical spectrum and all available experimental spectra. This approach identifies the correct spectrum in all cases and excludes approximately 80% of the incorrect spectra, demonstrating that an automated search of theoretical libraries of spectra may eventually become feasible.

  10. Herschel-Planck dust optical depth and column density maps. II. Perseus

    NASA Astrophysics Data System (ADS)

    Zari, Eleonora; Lombardi, Marco; Alves, João; Lada, Charles J.; Bouy, Hervé

    2016-03-01

    We present optical depth and temperature maps of the Perseus molecular cloud, obtained combining dust emission data from the Herschel and Planck satellites and 2MASS/NIR dust extinction maps. The maps have a resolution of 36 arcsec in the Herschel regions, and of 5 arcmin elsewhere. The dynamic range of the optical depth map ranges from 1 × 10-2 mag up to 20 mag in the equivalent K-band extinction. We also evaluate the ratio between the 2.2 μm extinction coefficient and the 850 μm opacity. The value we obtain is close to the one found in the Orion B molecular cloud. We show that the cumulative and the differential area function of the data (which is proportional to the probability distribution function of the cloud column density) follow power laws with an index of respectively ≃-2, and ≃-3. We use WISE data to improve current YSO catalogs based mostly on Spitzer data and we build an up-to-date selection of Class I/0 objects. Using this selection, we evaluate the local Schmidt law, ΣYSO ∝ Σgasβ, showing that β = 2.4 ± 0.6. Finally, we show that the area-extinction relation is important for determining the star-formation rate in the cloud, which is in agreement with other recent works. The optical depth and temperature maps (FITS files) are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/587/A106

  11. VizieR Online Data Catalog: EBHIS spectra and HI column density maps (Winkel+, 2016)

    NASA Astrophysics Data System (ADS)

    Winkel, B.; Kerp, J.; Floeer, L.; Kalberla, P. M. W.; Ben Bekhti, N.; Keller, R.; Lenz, D.

    2015-11-01

    The EBHIS 1st data release comprises 21-cm neutral atomic hydrogen data of the Milky Way (-600km/scolumn density distribution, both, in a (1) HealPIX-grid binary table (nside=1024, Galactic coordinates, Ring indexing scheme) (2) Standard FITS 2D image in ZEA-projection (zenith equal area). (6 data files).

  12. OClO slant column densities derived from GOMOS averaged transmittance measurements

    NASA Astrophysics Data System (ADS)

    Tétard, C.; Fussen, D.; Vanhellemont, F.; Bingen, C.; Dekemper, E.; Mateshvili, N.; Pieroux, D.; Robert, C.; Kyrölä, E.; Tamminen, J.; Sofieva, V.; Hauchecorne, A.; Dalaudier, F.; Bertaux, J.-L.; Fanton d'Andon, O.; Barrot, G.; Blanot, L.; Dehn, A.; Saavedra de Miguel, L.

    2013-11-01

    The Global Ozone Monitoring by Occultation of Stars (GOMOS) instrument on board the European platform ENVISAT (ENVironment SATellite) was dedicated to the study of the of Earth's atmosphere using the stellar occultation technique. The spectral range of the GOMOS spectrometer extends from the UV (ultra violet) to the near infrared, allowing for the retrieval of species such as O3, NO2, NO3, H2O, O2, air density, aerosol extinction and OClO. Nevertheless, OClO cannot be retrieved using a single GOMOS measurement because of the weak signal-to-noise ratio and the small optical thickness associated with this molecule. We present here the method used to detect this molecule by using several GOMOS measurements. It is based on a two-step approach. First, several co-located measurements are combined in a statistical way to build an averaged measurement with a higher signal-to-noise ratio; then, a differential optical absorption spectroscopy (DOAS) method is applied to retrieve OClO slant column densities (SCD). The statistics of the sets of GOMOS measurements used to build the averaged measurement and the spectral window selection are analyzed. The obtained retrievals are compared to results from two balloon-borne instruments. It appears that the inter-comparisons of OClO are generally satisfying (relative differences are about 15-60%). Two nighttime climatologies of OClO based on GOMOS averaged measurements are presented. The first depicts annual global pictures of OClO from 2003 to 2011. From this climatology, the presence of an OClO SCD peak in the equatorial region at about 35 km is confirmed and strong OClO SCD in both polar regions are observed (more than 1016 cm-2 in the Antarctic region and slightly less in the Arctic region), a sign of chlorine activation. The second climatology is a monthly time series. It clearly shows the chlorine activation of the lower stratosphere during winter. Moreover the equatorial OClO SCD peak is observed during all years without any

  13. Implementing an Inexpensive and Accurate Introductory Gas Density Activity with High School Students

    ERIC Educational Resources Information Center

    Cunningham, W. Patrick; Joseph, Christopher; Morey, Samantha; Santos Romo, Ana; Shope, Cullen; Strang, Jonathan; Yang, Kevin

    2015-01-01

    A simplified activity examined gas density while employing cost-efficient syringes in place of traditional glass bulbs. The exercise measured the density of methane, with very good accuracy and precision, in both first-year high school and AP chemistry settings. The participating students were tasked with finding the density of a gas. The…

  14. Accurate Focal Depth Determination of Oceanic Earthquakes Using Water-column Reverberation and Some Implications for the Shrinking Plate Hypothesis

    NASA Astrophysics Data System (ADS)

    Niu, F.; Huang, J.; Gordon, R. G.

    2015-12-01

    Investigation of oceanic earthquakes can play an important role in constraining the lateral and depth variations of the stress and strain-rate fields in oceanic lithosphere and of the thickness of the seismogenic layer as a function of lithosphere age, thereby providing us with critical insight into thermal and dynamic processes associated with the cooling and evolution of oceanic lithosphere. With the goal of estimating hypocentral depths more accurately, we observe clear water reverberations after the direct P wave on teleseismic records of oceanic earthquakes and develop a technique to estimate earthquake depths by using these reverberations. The Z-H grid search method allows the simultaneous determination of the sea floor depth (H) and earthquake depth (Z) with an uncertainty less than 1 km, which compares favorably with alternative approaches. We apply this method to two closely located earthquakes beneath the eastern Pacific. These earthquakes occur in ≈25 Ma-old lithosphere and were previously estimated to have very similar depths of ≈10-12 km. We find that the two events actually occurred at dissimilar depths of 2.5 km and 16.8 km beneath the seafloor, respectively within the oceanic crust and lithospheric mantle. The shallow and deep events are determined to be a thrust and normal earthquake, respectively, indicating that the stress field within the oceanic lithosphere changes from horizontal compression to horizontal extension as depth increases, which is consistent with the prediction of the lithospheric cooling model. Furthermore, we show that the P-axis of the newly investigated thrust-faulting earthquake is roughly perpendicular to that of the previously studied thrust event, consistent with the predictions of the shrinking-plate hypothesis.

  15. Accurate focal depth determination of oceanic earthquakes using water-column reverberation and some implications for the shrinking plate hypothesis

    NASA Astrophysics Data System (ADS)

    Huang, Jianping; Niu, Fenglin; Gordon, Richard G.; Cui, Chao

    2015-12-01

    Investigation of oceanic earthquakes is useful for constraining the lateral and depth variations of the stress and strain-rate fields in oceanic lithosphere, and the thickness of the seismogenic layer as a function of lithosphere age, thereby providing us with critical insight into thermal and dynamic processes associated with the cooling and evolution of oceanic lithosphere. With the goal of estimating hypocentral depths more accurately, we observe clear water reverberations after the direct P wave on teleseismic records of oceanic earthquakes and develop a technique to estimate earthquake depths by using these reverberations. The Z-H grid search method allows the simultaneous determination of the sea floor depth (H) and earthquake depth (Z) with an uncertainty less than 1 km, which compares favorably with alternative approaches. We apply this method to two closely located earthquakes beneath the eastern Pacific. These earthquakes occurred in ∼25 Ma-old lithosphere and were previously estimated to have similar depths of ∼10-12 km. We find that the two events actually occurred at dissimilar depths of 2.5 km and 16.8 km beneath the seafloor, respectively, within the oceanic crust and lithospheric mantle. The shallow and deep events are determined to be a thrust and normal earthquake, respectively, indicating that the stress field within the oceanic lithosphere changes from horizontal deviatoric compression to horizontal deviatoric tension as depth increases, which is consistent with the prediction of lithospheric cooling models. Furthermore, we show that the P-axis of the newly investigated thrust-faulting earthquake is perpendicular to that of the previously studied thrust event, consistent with the predictions of the shrinking-plate hypothesis.

  16. NGC 1365: A low column density state unveiling a low ionization disk wind

    SciTech Connect

    Braito, V.; Reeves, J. N.; Gofford, J.; Nardini, E.; Porquet, D.; Risaliti, G.

    2014-11-01

    We present the time-resolved spectral analysis of the XMM-Newton data of NGC 1365 collected during one XMM-Newton observation, which caught this 'changing-look' active galactic nucleus in a high flux state characterized also by a low column density (N {sub H} ∼ 10{sup 22} cm{sup –2}) of the X-ray absorber. During this observation, the low-energy photoelectric cut-off is at about ∼1 keV and the primary continuum can be investigated with the XMM-Newton-RGS data, which show strong spectral variability that can be explained as a variable low N {sub H} that decreased from N {sub H} ∼ 10{sup 23} cm{sup –2} to 10{sup 22} cm{sup –2} in a 100 ks timescale. The spectral analysis of the last segment of the observation revealed the presence of several absorption features that can be associated with an ionized (log ξ ∼ 2 erg cm s{sup –1}) outflowing wind (v {sub out} ∼ 2000 km s{sup –1}). We detected for the first time a possible P-Cygni profile of the Mg XII Lyα line associated with this mildly ionized absorber indicative of a wide angle outflowing wind. We suggest that this wind is a low ionization zone of the highly ionized wind present in NGC 1365, which is responsible for the iron K absorption lines and is located within the variable X-ray absorber. At the end of the observation, we detected a strong absorption line at E ∼ 0.76 keV most likely associated with a lower ionization zone of the absorber (log ξ ∼ 0.2 erg cm s{sup –1}, N {sub H} ∼ 10{sup 22} cm{sup –2}), which suggests that the variable absorber in NGC 1365 could be a low ionization zone of the disk wind.

  17. Green bank telescope observations of low column density H I around NGC 2997 and NGC 6946

    SciTech Connect

    Pisano, D. J.

    2014-03-01

    Observations of ongoing H I accretion in nearby galaxies have only identified about 10% of the fuel necessary to sustain star formation in these galaxies. Most of these observations have been conducted using interferometers and may have missed lower column density, diffuse, H I gas that may trace the missing 90% of gas. Such gas may represent the so-called cold flows predicted by current theories of galaxy formation to have never been heated above the virial temperature of the dark matter halo. As a first attempt to identify such cold flows around nearby galaxies and complete the census of H I down to N {sub H} {sub I} ∼ 10{sup 18} cm{sup –2}, I used the Robert C. Byrd Green Bank Telescope (GBT) to map the circumgalactic (r ≲ 100-200 kpc) H I environment around NGC 2997 and NGC 6946. The resulting GBT observations cover a 4 deg{sup 2} area around each galaxy with a 5σ detection limit of N{sub H} {sub I} ∼ 10{sup 18} cm{sup –2} over a 20 km s{sup –1} line width. This project complements absorption line studies, which are well-suited to the regime of lower N{sub H} {sub I}. Around NGC 2997, the GBT H I data reveal an extended H I disk and all of its surrounding gas-rich satellite galaxies, but no filamentary features. Furthermore, the H I mass as measured with the GBT is only 7% higher than past interferometric measurements. After correcting for resolution differences, the H I extent of the galaxy is 23% larger at the N{sub H} {sub I} = 1.2 × 10{sup 18} cm{sup –2} level as measured by the GBT. On the other hand, the H I observations of NGC 6946 reveal a filamentary feature apparently connecting NGC 6946 with its nearest companions. This H I filament has N{sub H} {sub I} ∼ 5 × 10{sup 18} cm{sup –2} and an FWHM of 55 ± 5 km s{sup –1} and was invisible in past interferometer observations. The properties of this filament are broadly consistent with being a cold flow or debris from a past tidal interaction between NGC 6946 and its satellites.

  18. The dependence of gamma-ray burst X-ray column densities on the model for Galactic hydrogen

    NASA Astrophysics Data System (ADS)

    Arcodia, R.; Campana, S.; Salvaterra, R.

    2016-05-01

    We study the X-ray absorption of a complete sample of 99 bright Swift gamma-ray bursts (GRBs). In recent years, a strong correlation has been found between the intrinsic X-ray absorbing column density (NH(z)) and the redshift. This absorption excess in high-z GRBs is now thought to be due to the overlooked contribution of the absorption along the intergalactic medium (IGM), by means of both intervening objects and the diffuse warm-hot intergalactic medium along the line of sight. In this work we neglect the absorption along the IGM, because our purpose is to study the eventual effect of a radical change in the Galactic absorption model on the NH(z) distribution. Therefore, we derive the intrinsic absorbing column densities using two different Galactic absorption models: the Leiden Argentine Bonn HI survey and the more recent model that includes molecular hydrogen. We find that if, on the one hand, the new Galactic model considerably affects the single column density values, on the other hand, there is no drastic change in the distribution as a whole. It becomes clear that the contribution of Galactic column densities alone, no matter how improved, is not sufficient to change the observed general trend and it has to be considered as a second order correction. The cosmological increase of NH(z) as a function of redshift persists and, to explain the observed distribution, it is necessary to include the contribution of both the diffuse intergalactic medium and the intervening systems along the line of sight of the GRBs.

  19. Observational discrimination between modes of shock propagation in interstellar clouds: Predictions of CH+ and SH+ column densities in diffuse clouds

    NASA Technical Reports Server (NTRS)

    Flower, D. R.; Desforets, G. P.; Roueff, E.; Hartquist, T. W.

    1986-01-01

    Considerable effort in recent years has been devoted to the study of shocks in the diffuse interstellar medium. This work has been motivated partly by the observations of rotationally excited states of H2, and partly by the realization that species such as CH(+), OH and H2O might be formed preferentially in hot, post-shock gas. The problem of CH(+) and the difficulties encountered when trying to explain the high column densities, observed along lines of sight to certain hot stars, have been reviewed earlier. The importance of a transverse magnetic field on the structure of an interstellar shock was also demonstrated earlier. Transverse magnetic fields above a critical strength give rise to an acceleration zone or precursor, in which the parameters on the flow vary continuously. Chemical reactions, which change the degree of ionization of the gas, also modify the structure of the shock considerably. Recent work has shown that large column densities of CH(+) can be produced in magnetohydrodynamic shock models. Shock speeds U sub s approx. = 10 km/s and initial magnetic field strengths of a few micro G are sufficient to produce ion-neutral drift velocities which can drive the endothermic C(+)(H2,H)CH(+) reaction. It was also shown that single-fluid hydrodynamic models do not generate sufficiently large column densities of CH(+) unless unacceptably high shock velocities (u sub s approx. 20 km/s) are assumed in the models. Thus, the observed column densities of CH(+) provide a constraint on the mode of shock propagation in diffuse clouds. More precisely, they determine a lower limit to the ion-neutral drift velocity.

  20. A Herschel-SPIRE survey of the Mon R2 giant molecular cloud: analysis of the gas column density probability density function

    NASA Astrophysics Data System (ADS)

    Pokhrel, R.; Gutermuth, R.; Ali, B.; Megeath, T.; Pipher, J.; Myers, P.; Fischer, W. J.; Henning, T.; Wolk, S. J.; Allen, L.; Tobin, J. J.

    2016-09-01

    We present a far-IR survey of the entire Mon R2 giant molecular cloud (GMC) with Herschel-Spectral and Photometric Imaging REceiver cross-calibrated with Planck-High Frequency Instrument data. We fit the spectral energy distributions of each pixel with a greybody function and an optimal beta value of 1.8. We find that mid-range column densities obtained from far-IR dust emission and near-IR extinction are consistent. For the entire GMC, we find that the column density histogram, or column density probability distribution function (N-PDF), is lognormal below ˜1021 cm-2. Above this value, the distribution takes a power law form with an index of -2.15. We analyse the gas geometry, N-PDF shape, and young stellar object (YSO) content of a selection of subregions in the cloud. We find no regions with pure lognormal N-PDFs. The regions with a combination of lognormal and one power-law N-PDF have a YSO cluster and a corresponding centrally concentrated gas clump. The regions with a combination of lognormal and two power-law N-PDF have significant numbers of typically younger YSOs but no prominent YSO cluster. These regions are composed of an aggregate of closely spaced gas filaments with no concentrated dense gas clump. We find that for our fixed scale regions, the YSO count roughly correlates with the N-PDF power-law index. The correlation appears steeper for single power-law regions relative to two power-law regions with a high column density cut-off, as a greater dense gas mass fraction is achieved in the former. A stronger correlation is found between embedded YSO count and the dense gas mass among our regions.

  1. Communication: Simple and accurate uniform electron gas correlation energy for the full range of densities

    NASA Astrophysics Data System (ADS)

    Chachiyo, Teepanis

    2016-07-01

    A simple correlation energy functional for the uniform electron gas is derived based on the second-order Moller-Plesset perturbation theory. It can reproduce the known correlation functional in the high-density limit, while in the mid-density range maintaining a good agreement with the near-exact correlation energy of the uniform electron gas to within 2 × 10-3 hartree. The correlation energy is a function of a density parameter rs and is of the form a * ln ( 1 + /b r s + /b rs 2 ) . The constants "a" and "b" are derived from the known correlation functional in the high-density limit. Comparisons to the Ceperley-Alder's near-exact Quantum Monte Carlo results and the Vosko-Wilk-Nusair correlation functional are also reported.

  2. Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation.

    PubMed

    Hoyer, Chad E; Ghosh, Soumen; Truhlar, Donald G; Gagliardi, Laura

    2016-02-01

    A correct description of electronically excited states is critical to the interpretation of visible-ultraviolet spectra, photochemical reactions, and excited-state charge-transfer processes in chemical systems. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory and a new kind of density functional called an on-top density functional. Here, we show that MC-PDFT with a first-generation on-top density functional performs as well as CASPT2 for an organic chemistry database including valence, Rydberg, and charge-transfer excitations. The results are very encouraging for practical applications. PMID:26794241

  3. Dielectric-dependent Density Functionals for Accurate Electronic Structure Calculations of Molecules and Solids

    NASA Astrophysics Data System (ADS)

    Skone, Jonathan; Govoni, Marco; Galli, Giulia

    Dielectric-dependent hybrid [DDH] functionals have recently been shown to yield highly accurate energy gaps and dielectric constants for a wide variety of solids, at a computational cost considerably less than standard GW calculations. The fraction of exact exchange included in the definition of DDH functionals depends (self-consistently) on the dielectric constant of the material. In the present talk we introduce a range-separated (RS) version of DDH functionals where short and long-range components are matched using material dependent, non-empirical parameters. Comparing with state of the art GW calculations and experiment, we show that such RS hybrids yield accurate electronic properties of both molecules and solids, including energy gaps, photoelectron spectra and absolute ionization potentials. This work was supported by NSF-CCI Grant Number NSF-CHE-0802907 and DOE-BES.

  4. Some recommendations for an accurate estimation of Lanice conchilega density based on tube counts

    NASA Astrophysics Data System (ADS)

    van Hoey, Gert; Vincx, Magda; Degraer, Steven

    2006-12-01

    The tube building polychaete Lanice conchilega is a common and ecologically important species in intertidal and shallow subtidal sands. It builds a characteristic tube with ragged fringes and can retract rapidly into its tube to depths of more than 20 cm. Therefore, it is very difficult to sample L. conchilega individuals, especially with a Van Veen grab. Consequently, many studies have used tube counts as estimates of real densities. This study reports on some aspects to be considered when using tube counts as a density estimate of L. conchilega, based on intertidal and subtidal samples. Due to its accuracy and independence of sampling depth, the tube method is considered the prime method to estimate the density of L. conchilega. However, caution is needed when analyzing samples with fragile young individuals and samples from areas where temporary physical disturbance is likely to occur.

  5. Fast and accurate probability density estimation in large high dimensional astronomical datasets

    NASA Astrophysics Data System (ADS)

    Gupta, Pramod; Connolly, Andrew J.; Gardner, Jeffrey P.

    2015-01-01

    Astronomical surveys will generate measurements of hundreds of attributes (e.g. color, size, shape) on hundreds of millions of sources. Analyzing these large, high dimensional data sets will require efficient algorithms for data analysis. An example of this is probability density estimation that is at the heart of many classification problems such as the separation of stars and quasars based on their colors. Popular density estimation techniques use binning or kernel density estimation. Kernel density estimation has a small memory footprint but often requires large computational resources. Binning has small computational requirements but usually binning is implemented with multi-dimensional arrays which leads to memory requirements which scale exponentially with the number of dimensions. Hence both techniques do not scale well to large data sets in high dimensions. We present an alternative approach of binning implemented with hash tables (BASH tables). This approach uses the sparseness of data in the high dimensional space to ensure that the memory requirements are small. However hashing requires some extra computation so a priori it is not clear if the reduction in memory requirements will lead to increased computational requirements. Through an implementation of BASH tables in C++ we show that the additional computational requirements of hashing are negligible. Hence this approach has small memory and computational requirements. We apply our density estimation technique to photometric selection of quasars using non-parametric Bayesian classification and show that the accuracy of the classification is same as the accuracy of earlier approaches. Since the BASH table approach is one to three orders of magnitude faster than the earlier approaches it may be useful in various other applications of density estimation in astrostatistics.

  6. Seeking: Accurate Measurement Techniques for Deep-Bone Density and Structure

    NASA Technical Reports Server (NTRS)

    Sibonga, Jean

    2009-01-01

    We are seeking a clinically-useful technology with enough sensitivity to assess the microstructure of "spongy" bone that is found in the marrow cavities of whole bones. However, this technology must be for skeletal sites surrounded by layers of soft tissues, such as the spine and the hip. Soft tissue interferes with conventional imaging and using a more accessible area -- for example, the wrist or the ankle of limbs-- as a proxy for the less accessible skeletal regions, will not be accurate. A non-radioactive technology is strongly preferred.

  7. A method to measure the density of seawater accurately to the level of 10-6

    NASA Astrophysics Data System (ADS)

    Schmidt, Hannes; Wolf, Henning; Hassel, Egon

    2016-04-01

    A substitution method to measure seawater density relative to pure water density using vibrating tube densimeters was realized and validated. Standard uncertainties of 1 g m-3 at atmospheric pressure, 10 g m-3 up to 10 MPa, and 20 g m-3 to 65 MPa in the temperature range of 5 °C to 35 °C and for salt contents up to 35 g kg-1 were achieved. The realization was validated by comparison measurements with a hydrostatic weighing apparatus for atmospheric pressure. For high pressures, literature values of seawater compressibility were compared with substitution measurements of the realized apparatus.

  8. Study of time-accurate integration of the variable-density Navier-Stokes equations

    NASA Astrophysics Data System (ADS)

    Lu, Xiaoyi; Pantano, Carlos

    2015-11-01

    We present several theoretical elements that affect time-consistent integration of the low-Mach number approximation of variable-density Navier-Stokes equations. The goal is for velocity, pressure, density, and scalars to achieve uniform order of accuracy, consistent with the time integrator being used. We show examples of second-order (using Crank-Nicolson and Adams-Bashforth) and third-order (using additive semi-implicit Runge-Kutta) uniform convergence with the proposed conceptual framework. Furthermore, the consistent approach can be extended to other time integrators. In addition, the method is formulated using approximate/incomplete factorization methods for easy incorporation in existing solvers. One of the observed benefits of the proposed approach is improved stability, even for large density difference, in comparison with other existing formulations. A linearized stability analysis is also carried out for some test problems to better understand the behavior of the approach. This work was supported in part by the Department of Energy, National Nuclear Security Administration, under award no. DE-NA0002382 and the California Institute of Technology.

  9. Neural network approach to quantum-chemistry data: Accurate prediction of density functional theory energies

    NASA Astrophysics Data System (ADS)

    Balabin, Roman M.; Lomakina, Ekaterina I.

    2009-08-01

    Artificial neural network (ANN) approach has been applied to estimate the density functional theory (DFT) energy with large basis set using lower-level energy values and molecular descriptors. A total of 208 different molecules were used for the ANN training, cross validation, and testing by applying BLYP, B3LYP, and BMK density functionals. Hartree-Fock results were reported for comparison. Furthermore, constitutional molecular descriptor (CD) and quantum-chemical molecular descriptor (QD) were used for building the calibration model. The neural network structure optimization, leading to four to five hidden neurons, was also carried out. The usage of several low-level energy values was found to greatly reduce the prediction error. An expected error, mean absolute deviation, for ANN approximation to DFT energies was 0.6±0.2 kcal mol-1. In addition, the comparison of the different density functionals with the basis sets and the comparison of multiple linear regression results were also provided. The CDs were found to overcome limitation of the QD. Furthermore, the effective ANN model for DFT/6-311G(3df,3pd) and DFT/6-311G(2df,2pd) energy estimation was developed, and the benchmark results were provided.

  10. Can formaldehyde column densities be used to estimate near-surface ozone in urban areas?

    NASA Astrophysics Data System (ADS)

    Schroeder, Jason

    2016-04-01

    Understanding pollutant exposure for populations in urban areas requires air quality monitoring at a finer scale than can be reasonably provided by surface networks. Satellite measurements of short-lived trace gases could potentially help shape our understanding of the distribution of near-surface ozone throughout entire regions, thus aiding the development of more effective mitigation strategies. In this work, the extensive vertical profiling performed by aircraft in support of NASA's DISCOVER-AQ field campaign is used to examine the relationship between formaldehyde column measurements and near-surface ozone. At large spatial and temporal scales, a fairly strong relationship exists between column formaldehyde and near-surface ozone, but this relationship often weakens at smaller spatial and temporal scales. The cause of these small-scale discrepancies was determined to be an artifact of the difference in lifetimes between ozone and formaldehyde. While ozone has a long lifetime (multiple days) and tends to accumulate throughout the day, formaldehyde has a very short lifetime (a couple hours) and tends to reflect the local hydrocarbon oxidation environment. In Maryland, where biogenic emissions dominate the hydrocarbon mix, a stronger correlation between ozone and formaldehyde was seen than in Texas, where anthropogenic emissions dominated the hydrocarbon mix. This is because in Maryland, while ozone was accumulating throughout the day, formaldehyde was also increasing in conjunction with changes in biogenic emissions. When data are segregated spatially and averaged over the duration of each campaign, a clear trend can be seen between column formaldehyde and surface ozone measurements. While not useful for day-to-day monitoring, this could be useful for long-term exposure estimates and could help facilitate the re-distribution of surface monitoring sites.

  11. Ozone column density determination from direct irradiance measurements in the ultraviolet performed by a four-channel precision filter radiometer.

    PubMed

    Ingold, T; Mätzler, C; Wehrli, C; Heimo, A; Kämpfer, N; Philipona, R

    2001-04-20

    Ultraviolet light was measured at four channels (305, 311, 318, and 332 nm) with a precision filter radiometer (UV-PFR) at Arosa, Switzerland (46.78 degrees , 9.68 degrees , 1850 m above sea level), within the instrument trial phase of a cooperative venture of the Swiss Meteorological Institute (MeteoSwiss) and the Physikalisch-Meteorologisches Observatorium Davos/World Radiation Center. We retrieved ozone-column density data from these direct relative irradiance measurements by adapting the Dobson standard method for all possible single-difference wavelength pairs and one double-difference pair (305/311 and 305/318) under conditions of cloud-free sky and of thin clouds (cloud optical depth <2.5 at 500 nm). All UV-PFR retrievals exhibited excellent agreement with those of collocated Dobson and Brewer spectrophotometers for data obtained during two months in 1999. Combining the results of the error analysis and the findings of the validation, we propose to retrieve ozone-column density by using the 305/311 single difference pair and the double-difference pair. Furthermore, combining both retrievals by building the ratio of ozone-column density yields information that is relevant to data quality control. Estimates of the 305/311 pair agree with measurements by the Dobson and Brewer instruments within 1% for both the mean and the standard deviation of the differences. For the double pair these values are in a range up to 1.6%. However, this pair is less sensitive to model errors. The retrieval performance is also consistent with satellite-based data from the Earth Probe Total Ozone Mapping Spectrometer (EP-TOMS) and the Global Ozone Monitoring Experiment instrument (GOME).

  12. An accurate Rb density measurement method for a plasma wakefield accelerator experiment using a novel Rb reservoir

    NASA Astrophysics Data System (ADS)

    Öz, E.; Batsch, F.; Muggli, P.

    2016-09-01

    A method to accurately measure the density of Rb vapor is described. We plan on using this method for the Advanced Wakefield (AWAKE) (Assmann et al., 2014 [1]) project at CERN , which will be the world's first proton driven plasma wakefield experiment. The method is similar to the hook (Marlow, 1967 [2]) method and has been described in great detail in the work by Hill et al. (1986) [3]. In this method a cosine fit is applied to the interferogram to obtain a relative accuracy on the order of 1% for the vapor density-length product. A single-mode, fiber-based, Mach-Zenhder interferometer will be built and used near the ends of the 10 meter-long AWAKE plasma source to be able to make accurate relative density measurement between these two locations. This can then be used to infer the vapor density gradient along the AWAKE plasma source and also change it to the value desired for the plasma wakefield experiment. Here we describe the plan in detail and show preliminary results obtained using a prototype 8 cm long novel Rb vapor cell.

  13. Accurate vibrational frequencies using the self-consistent-charge density-functional tight-binding method

    NASA Astrophysics Data System (ADS)

    Małolepsza, Edyta; Witek, Henryk A.; Morokuma, Keiji

    2005-09-01

    An optimization technique for enhancing the quality of repulsive two-body potentials of the self-consistent-charge density-functional tight-binding (SCC-DFTB) method is presented and tested. The new, optimized potentials allow for significant improvement of calculated harmonic vibrational frequencies. Mean absolute deviation from experiment computed for a group of 14 hydrocarbons is reduced from 59.0 to 33.2 cm -1 and maximal absolute deviation, from 436.2 to 140.4 cm -1. A drawback of the new family of potentials is a lower quality of reproduced geometrical and energetic parameters.

  14. A Two-Sinker Densimeter for Accurate Measurements of the Density of Natural Gases at Standard Conditions

    NASA Astrophysics Data System (ADS)

    Richter, Markus; Kleinrahm, Reiner; Glos, Stefan; Wagner, Wolfgang; Span, Roland; Schley, Peter; Uhrig, Martin

    2010-05-01

    A special reference densimeter has been developed for accurate measurements of densities of natural gases and multicomponent gas mixtures at standard conditions of temperature and pressure ( T s = 273.15 K and p s = 0.101325 MPa). The densimeter covers the range from 0.7 kg · m-3 to 1.3 kg · m-3; the total measurement uncertainty in density is 0.020 % (95 % level of confidence). The measurement principle used is the two-sinker method, which is based on the Archimedes buoyancy principle. The certified calibration laboratory of E.ON Ruhrgas AG, Germany, uses this densimeter to verify the standard densities of certified calibration gases (binary and multicomponent gas mixtures). Moreover, the densimeter is used to determine the compositions of commercially available binary gas mixtures with a small uncertainty of (0.01-0.03) mol%.

  15. BAL PHOSPHORUS ABUNDANCE AND EVIDENCE FOR IMMENSE IONIC COLUMN DENSITIES IN QUASAR OUTFLOWS: VLT/X-SHOOTER OBSERVATIONS OF QUASAR SDSS J1512+1119

    SciTech Connect

    Borguet, Benoit C. J.; Edmonds, Doug; Arav, Nahum; Chamberlain, Carter; Benn, Chris

    2012-10-10

    We present spectroscopic analysis of the broad absorption line (BAL) outflow in quasar SDSS J1512+1119. In particular, we focus our attention on a kinematic component in which we identify P V and S IV/S IV* absorption troughs. The shape of the unblended phosphorus doublet troughs and the three S IV/S IV* troughs allow us to obtain reliable column density measurements for these two ions. Photoionization modeling using these column densities and those of He I* constrain the abundance of phosphorus to the range of 0.5-4 times the solar value. The total column density, ionization parameter, and metallicity inferred from the P V and S IV column densities lead to large optical depth values for the common transition observed in BAL outflows. We show that the true C IV optical depth is {approx}1000 times greater in the core of the absorption profile than the value deduced from its apparent optical depth.

  16. Characterization of Thin Film Materials using SCAN MetaGGA, an Accurate Nonempirical Density Functional

    NASA Astrophysics Data System (ADS)

    Buda, Ioana-Gianina; Lane, Christopher; Barbiellini, Bernardo; Ruzsinszky, Adrienn; Sun, Jianwei; Perdew, John P.; Bansil, Arun

    The exact ground-state properties of a material can be derived from the single-particle Kohn-Sham equations within the framework of the Density Functional Theory (DFT), provided the exact exchange-correlation potential is known. The simplest approximation is the local density approximation (LDA), but it usually leads to overbinding in molecules and solids. On the other hand, the generalized gradient approximation (GGA) introduces corrections that expand and soften bonds. The newly developed nonempirical SCAN (strongly-constrained and appropriately-normed) MetaGGA [Phys. Rev. Lett. 115, 036402] has been shown to be comparable in efficiency to LDA and GGA, and to significantly improve LDA and the Perdew-Burke-Ernzerhof version of the GGA for ground-state properties such as equilibrium geometry and lattice constants for a number of standard datasets for molecules and solids. Here we discuss the performance of SCAN MetaGGA for thin films and monolayers and demonstrate improvements of predicted ground-state properties. Examples include graphene, phosphorene and MoS2.

  17. An affordable and accurate conductivity probe for density measurements in stratified flows

    NASA Astrophysics Data System (ADS)

    Carminati, Marco; Luzzatto-Fegiz, Paolo

    2015-11-01

    In stratified flow experiments, conductivity (combined with temperature) is often used to measure density. The probes typically used can provide very fine spatial scales, but can be fragile, expensive to replace, and sensitive to environmental noise. A complementary instrument, comprising a low-cost conductivity probe, would prove valuable in a wide range of applications where resolving extremely small spatial scales is not needed. We propose using micro-USB cables as the actual conductivity sensors. By removing the metallic shield from a micro-B connector, 5 gold-plated microelectrodes are exposed and available for 4-wire measurements. These have a cell constant ~550m-1, an intrinsic thermal noise of at most 30pA/Hz1/2, as well as sub-millisecond time response, making them highly suitable for many stratified flow measurements. In addition, we present the design of a custom electronic board (Arduino-based and Matlab-controlled) for simultaneous acquisition from 4 sensors, with resolution (in conductivity, and resulting density) exceeding the performance of typical existing probes. We illustrate the use of our conductivity-measuring system through stratified flow experiments, and describe plans to release simple instructions to construct our complete system for around 200.

  18. Photo-detachment signal analysis to accurately determine electronegativity, electron temperature, and charged species density

    NASA Astrophysics Data System (ADS)

    Oudini, N.; Sirse, N.; Taccogna, F.; Ellingboe, A. R.; Bendib, A.

    2016-09-01

    Laser pulse induced photo-detachment combined with Langmuir probing has been introduced to diagnose plasma electronegativity. This technique uses a laser pulse to convert negative ions into electron-atom pairs and tracks the change of electron saturation current by a Langmuir probe. The existing model determines plasma electronegativity as the ratio of electron saturation current before and after detachment. However, this model depends on various assumptions and neglects the formation of a potential barrier between the laser channel and surrounding electronegative plasma. In this letter, we present a new analytical model to analyze photo-detachment signals in order to improve the accuracy of electronegativity measurements and extend this technique for measuring electron temperature and charged species density. This analytical model is supported by Particle-In-Cell simulation of electronegative plasma dynamics following laser photo-detachment. The analysis of the signal, detected on a simulated probe, shows that the present analytical model determines electronegativity, electron temperature, and plasma density with a relative error of ˜20%, ˜20%, and ˜50%, respectively, whereas the electronegativity obtained from a previous model is underestimated by an order of magnitude.

  19. New density functional parameterizations to accurate calculations of electric field gradient variations among compounds.

    PubMed

    Santiago, Régis Tadeu; Haiduke, Roberto Luiz Andrade

    2015-10-30

    This research provides a performance investigation of density functional theory and also proposes new functional parameterizations to deal with electric field gradient (EFG) calculations at nuclear positions. The entire procedure is conducted within the four-component formalism. First, we noticed that traditional hybrid and long-range corrected functionals are more efficient in the description of EFG variations for a set of elements (indium, antimony, iodine, lutetium, and hafnium) among linear molecules. Thus, we selected the PBE0, B3LYP, and CAM-B3LYP functionals and promoted a reoptimization of their parameters for a better description of these EFG changes. The PBE0q variant developed here showed an overall promising performance in a validation test conducted with potassium, iodine, copper, and gold. In general, the correlation coefficients found in linear regressions between experimental nuclear quadrupole coupling constants and calculated EFGs are improved while the systematic EFG errors also decrease as a result of this reparameterization. PMID:26284820

  20. Toward an Accurate Density-Functional Tight-Binding Description of Zinc-Containing Compounds.

    PubMed

    Moreira, Ney H; Dolgonos, Grygoriy; Aradi, Bálint; da Rosa, Andreia L; Frauenheim, Thomas

    2009-03-10

    An extended self-consistent charge density-functional tight-binding (SCC-DFTB) parametrization for Zn-X (X = H, C, N, O, S, and Zn) interactions has been derived. The performance of this new parametrization has been validated by calculating the structural and energetic properties of zinc solid phases such as bulk Zn, ZnO, and ZnS; ZnO surfaces and nanostructures; adsorption of small species (H, CO2, and NH3) on ZnO surfaces; and zinc-containing complexes mimicking the biological environment. Our results show that the derived parameters are universal and fully transferable, describing all the above-mentioned systems with accuracies comparable to those of first-principles DFT results. PMID:26610226

  1. Column Number Density Expressions Through M = 0 and M = 1 Point Source Plumes Along Any Straight Path

    NASA Technical Reports Server (NTRS)

    Woronowicz, Michael

    2016-01-01

    Analytical expressions for column number density (CND) are developed for optical line of sight paths through a variety of steady free molecule point source models including directionally-constrained effusion (Mach number M = 0) and flow from a sonic orifice (M = 1). Sonic orifice solutions are approximate, developed using a fair simulacrum fitted to the free molecule solution. Expressions are also developed for a spherically-symmetric thermal expansion (M = 0). CND solutions are found for the most general paths relative to these sources and briefly explored. It is determined that the maximum CND from a distant location through directed effusion and sonic orifice cases occurs along the path parallel to the source plane that intersects the plume axis. For the effusive case this value is exactly twice the CND found along the ray originating from that point of intersection and extending to infinity along the plume's axis. For sonic plumes this ratio is reduced to about 4/3. For high Mach number cases the maximum CND will be found along the axial centerline path. Keywords: column number density, plume flows, outgassing, free molecule flow.

  2. Accurate predictions of C-SO2R bond dissociation enthalpies using density functional theory methods.

    PubMed

    Yu, Hai-Zhu; Fu, Fang; Zhang, Liang; Fu, Yao; Dang, Zhi-Min; Shi, Jing

    2014-10-14

    The dissociation of the C-SO2R bond is frequently involved in organic and bio-organic reactions, and the C-SO2R bond dissociation enthalpies (BDEs) are potentially important for understanding the related mechanisms. The primary goal of the present study is to provide a reliable calculation method to predict the different C-SO2R bond dissociation enthalpies (BDEs). Comparing the accuracies of 13 different density functional theory (DFT) methods (such as B3LYP, TPSS, and M05 etc.), and different basis sets (such as 6-31G(d) and 6-311++G(2df,2p)), we found that M06-2X/6-31G(d) gives the best performance in reproducing the various C-S BDEs (and especially the C-SO2R BDEs). As an example for understanding the mechanisms with the aid of C-SO2R BDEs, some primary mechanistic studies were carried out on the chemoselective coupling (in the presence of a Cu-catalyst) or desulfinative coupling reactions (in the presence of a Pd-catalyst) between sulfinic acid salts and boryl/sulfinic acid salts.

  3. Age changes in the bone density and structure of the lumbar vertebral column.

    PubMed Central

    Twomey, L; Taylor, J; Furniss, B

    1983-01-01

    Old age is associated with a decline in bone density in lumbar vertebral bodies in both sexes, although the rate and amount of the decline is greatest in females. The bone translucency index method, described in this study, is a sensitive method of estimating bone density. The primary reason for this decline is the significant decrease in the number of transverse trabeculae of lumbar vertebrae in old age. It is postulated that the increase in vertebral end plate concavity and the increased horizontal dimensions of lumbar vertebral bodies in old age follows as a direct consequence of the selective loss of the transverse trabeculae. Images Fig. 2 PMID:6833115

  4. Communication: a density functional with accurate fractional-charge and fractional-spin behaviour for s-electrons.

    PubMed

    Johnson, Erin R; Contreras-García, Julia

    2011-08-28

    We develop a new density-functional approach combining physical insight from chemical structure with treatment of multi-reference character by real-space modeling of the exchange-correlation hole. We are able to recover, for the first time, correct fractional-charge and fractional-spin behaviour for atoms of groups 1 and 2. Based on Becke's non-dynamical correlation functional [A. D. Becke, J. Chem. Phys. 119, 2972 (2003)] and explicitly accounting for core-valence separation and pairing effects, this method is able to accurately describe dissociation and strong correlation in s-shell many-electron systems.

  5. Small-scale field experiments accurately scale up to predict density dependence in reef fish populations at large scales.

    PubMed

    Steele, Mark A; Forrester, Graham E

    2005-09-20

    Field experiments provide rigorous tests of ecological hypotheses but are usually limited to small spatial scales. It is thus unclear whether these findings extrapolate to larger scales relevant to conservation and management. We show that the results of experiments detecting density-dependent mortality of reef fish on small habitat patches scale up to have similar effects on much larger entire reefs that are the size of small marine reserves and approach the scale at which some reef fisheries operate. We suggest that accurate scaling is due to the type of species interaction causing local density dependence and the fact that localized events can be aggregated to describe larger-scale interactions with minimal distortion. Careful extrapolation from small-scale experiments identifying species interactions and their effects should improve our ability to predict the outcomes of alternative management strategies for coral reef fishes and their habitats.

  6. Image of Fomalhaut Dust Ring at 350 Microns: The Relative Column Density Map Shows Pericenter-Apocenter Asymmetry

    NASA Technical Reports Server (NTRS)

    Marsh, K. A.; Velusamy, T.; Dowell, C. D.; Grogan, K.; Beichman, C. A.

    2005-01-01

    We have imaged the circumstellar disk of Fomalhaut at 350 mm wavelength, using SHARC II (Submillimeter High Angular Resolution Camera II) at the Caltech Submillimeter Observatory. The spatial resolution of the raw images (9") has been enhanced by a factor of 3 using the HiRes deconvolution procedure. We find that at this wavelength and signal-to-noise ratio (approx.12), the observed morphology is that of a simple inclined ring (i approx. 70 deg), with little or no other apparent structure--this is the first observation that shows clearly the ring morphology of the disk. We have combined our 350 mm data with Spitzer Space Telescope images at 24, 70, and 160 mm in order to estimate the two-dimensional spatial variation of relative column density ("tau map") using our DISKFIT procedure. The tau map is based on the following physical assumptions: (1) the wavelength variation of opacity is the same throughout the disk, (2) the radial variation of dust temperature is dictated by the energy balance of individual grains in the stellar radiation field, and (3) the vertical scale height of the disk follows a power-law radial variation. The results confirm the ringlike morphology but also show that the geometric center is displaced from the star by about 8 AU and that the ring has an apocentric enhancement of approximately 14% in integrated column density. If we interpret the displacement in terms of elliptical orbital motion due to gravitational perturbation by an unseen planet, then the implied forced eccentricity is 0.06; dynamical modeling then predicts an apocentric density enhancement consistent with that inferred from the tau map.

  7. Efficiency gain limits of the parallel segmented inlet and outlet flow concept in analytical liquid chromatography columns suffering from radial transcolumn packing density gradients.

    PubMed

    Broeckhoven, Ken; Desmet, Gert

    2012-10-01

    The maximal gain in efficiency that can be expected from the use of the segmented column end fittings that were recently introduced to alleviate the effect of transcolumn packing density gradients has been quantified and generalized using numerical computations of the band broadening process. It was found that, for an unretained compound in a column with a parabolic packing density gradient, the use of a segmented inlet or a segmented outlet allows to eliminate about 60-100% of the plate height contribution (H(tc)) originating from a parabolic transcolumn velocity gradient in a d(c)=4.6 mm column. In a d(c)=2.1 mm column, these percentages change from 10 to 100%. Using a combined segmented in- and outlet, H(tc) can be reduced by about 90-100% (d(c)=4.6 mm column) or 20-100% (d(c)=2.1 mm column). The strong variation of these gain percentages is due to fact that they depend very strongly on the column length and the flow rate. Dimensionless graphs have been established that allow to directly quantify the effect for each specific case. It was also found that, in agreement with one's physical intuition, trans-column velocity profiles that are more flat in the central region benefit more from the concept than sharp, parabolic-like profiles. The gain margins furthermore tend to become smaller with increasing retention and increasing diffusion coefficient.

  8. Accounting for surface reflectance in the derivation of vertical column densities of NO2 from airborne imaging DOAS

    NASA Astrophysics Data System (ADS)

    Meier, Andreas Carlos; Schönhardt, Anja; Richter, Andreas; Bösch, Tim; Seyler, André; Constantin, Daniel Eduard; Shaiganfar, Reza; Merlaud, Alexis; Ruhtz, Thomas; Wagner, Thomas; van Roozendael, Michel; Burrows, John. P.

    2016-04-01

    Nitrogen oxides, NOx (NOx = NO + NO2) play a key role in tropospheric chemistry. In addition to their directly harmful effects on the respiratory system of living organisms, they influence the levels of tropospheric ozone and contribute to acid rain and eutrophication of ecosystems. As they are produced in combustion processes, they can serve as an indicator for anthropogenic air pollution. In the late summers of 2014 and 2015, two extensive measurement campaigns were conducted in Romania by several European research institutes, with financial support from ESA. The AROMAT / AROMAT-2 campaigns (Airborne ROmanian Measurements of Aerosols and Trace gases) were dedicated to measurements of air quality parameters utilizing newly developed instrumentation at state-of-the-art. The experiences gained will help to calibrate and validate the measurements taken by the upcoming Sentinel-S5p mission scheduled for launch in 2016. The IUP Bremen contributed to these campaigns with its airborne imaging DOAS (Differential Optical Absorption Spectroscopy) instrument AirMAP (Airborne imaging DOAS instrument for Measurements of Atmospheric Pollution). AirMAP allows retrieving spatial distributions of trace gas columns densities in a stripe below the aircraft. The measurements have a high spatial resolution of approximately 30 x 80 m2 (along x across track) at a typical flight altitude of 3000 m. Supported by the instrumental setup and the large swath, gapless maps of trace gas distributions above a large city, like Bucharest or Berlin, can be acquired within a time window of approximately two hours. These properties make AirMAP a valuable tool for the validation of trace gas measurements from space. DOAS retrievals yield the density of absorbers integrated along the light path of the measurement. The light path is altered with a changing surface reflectance, leading to enhanced / reduced slant column densities of NO2 depending on surface properties. This effect must be considered in

  9. ASCA observations of the warm absorber in MCG-6-30-15: The discovery of a change in column density

    NASA Technical Reports Server (NTRS)

    Fabian, Andrew C.; Kunieda, Hideyo; Inoue, Shigeru; Matsuoka, Masaru; Mihara, Tatehiro; Miyamoto, Sigenori; Otani, Chiko; Ricker, George; Tanaka, Yasuo; Yamauchi, Makoto

    1994-01-01

    We report the first X-ray observations of the Seyfert 1 galaxy MCG-6-30-15 obtained at medium spectral resolution. The partially-ionized, 'warm' absorber is resolved and shown to be due to O VII and O VIII. The main absorption edge agrees with that of O VII at the redshift of the galaxy to within 1%. The column density of the absorbing material is greater by a factor of 2 in the first of our two obsevations, which were 3 weeks apart, while the mean flux is slightly lower and the ionization parameter slightly higher. We also discuss the flourescent iron emssion line seen in the source, which is at 6.40 keV. The line is significantly broadened, with a Full Width at Half Maximum (FWHM) of about 0.4 keV.

  10. OMI Global Tropospheric Bromine Oxide (BrO) Column Densities: Algorithm, Retrieval and Initial Validation

    NASA Astrophysics Data System (ADS)

    Suleiman, R. M.; Chance, K.; Liu, X.; Kurosu, T. P.; Gonzalez Abad, G.

    2014-12-01

    We present and discuss a detailed description of the retrieval algorithms for the OMI BrO product. The BrO algorithms are based on direct fitting of radiances from 319.0-347.5 nm. Radiances are modeled from the solar irradiance, attenuated and adjusted by contributions from the target gas and interfering gases, rotational Raman scattering, undersampling, additive and multiplicative closure polynomials and a common mode spectrum. The version of the algorithm used for both BrO includes relevant changes with respect to the operational code, including the fit of the O2-O2 collisional complex, updates in the high resolution solar reference spectrum, updates in spectroscopy, an updated Air Mass Factor (AMF) calculation scheme, and the inclusion of scattering weights and vertical profiles in the level 2 products. Updates to the algorithms include accurate scattering weights and air mass factor calculations, scattering weights and profiles in outputs and available cross sections. We include retrieval parameter and window optimization to reduce the interference from O3, HCHO, O2-O2, SO2, improve fitting accuracy and uncertainty, reduce striping, and improve the long-term stability. We validate OMI BrO with ground-based measurements from Harestua and with chemical transport model simulations. We analyze the global distribution and seasonal variation of BrO and investigate BrO emissions from volcanoes and salt lakes.

  11. Pressure, temperature and density drops along supercritical fluid chromatography columns in different thermal environments. III. Mixtures of carbon dioxide and methanol as the mobile phase.

    PubMed

    Poe, Donald P; Veit, Devon; Ranger, Megan; Kaczmarski, Krzysztof; Tarafder, Abhijit; Guiochon, Georges

    2014-01-01

    The pressure, temperature and density drops along SFC columns eluted with a CO2/methanol mobile phase were measured and compared with theoretical values. For columns packed with 3- and 5-μm particles the pressure and temperature drops were measured using a mobile phase of 95% CO2 and 5% methanol at a flow rate of 5mL/min, at temperatures from 20 to 100°C, and outlet pressures from 80 to 300bar. The density drop was calculated based on the temperature and pressure at the column inlet and outlet. The columns were suspended in a circulating air bath, either bare or covered with foam insulation. The experimental measurements were compared to theoretical results obtained by numerical simulation. For the convective air condition at outlet pressures above 100bar the average difference between the experimental and calculated temperature drops and pressure drops were 0.1°C and 0.7% for the bare 3-μm column, respectively, and were 0.6°C and 4.1% for the insulated column. The observed temperature drops for the insulated columns are consistent with those predicted by the Joule-Thomson coefficients for isenthalpic expansion. The dependence of the temperature and the pressure drops on the Joule-Thomson coefficient and kinematic viscosity are described for carbon dioxide mobile phases containing up to 20% methanol.

  12. New developments in the analysis of column-collapse pyroclastic density currents through numerical simulations of multiphase flows

    NASA Astrophysics Data System (ADS)

    Lepore, S.; Scarpati, C.

    2012-06-01

    A granular multiphase model has been used to evaluate the action of differently sized particles on the dynamics of fountains and associated pyroclastic density currents. The model takes into account the overall disequilibrium conditions between a gas phase and several solid phases, each characterized by its own physical properties. The dynamics of the granular flows (fountains and pyroclastic density currents) has been simulated by adopting a Reynolds-averaged Navier-Stokes model for describing the turbulence effects. Numerical simulations have been carried out by using different values for the eruptive column temperature at the vent, solid particle frictional concentration, turbulent kinetic energy, and dissipation. The results obtained provide evidence of the multiphase nature of the model and describe several disequilibrium effects. The low concentration (≤5 × 10-4) zones lie in the upper part of the granular flow, above the fountain, and above the tail and body of pyroclastic density current as thermal plumes. The high concentration zones, on the contrary, lie in the fountain and at the base of the current. Hence, pyroclastic density currents are assimilated to granular flows constituted by a low concentration suspension flowing above a high concentration basal layer (boundary layer), from the proximal regions to the distal ones. Interactions among the solid particles in the boundary layer of the granular flow are controlled by collisions between particles, whereas the dispersal of particles in the suspension is determined by the dragging of the gas phase. The simulations describe well the dynamics of a tractive boundary layer leading to the formation of stratified facies during Strombolian to Plinian eruptions.

  13. Accurate ab initio potential for the krypton dimer and transport properties of the low-density krypton gas.

    PubMed

    Waldrop, Jonathan M; Song, Bo; Patkowski, Konrad; Wang, Xiaopo

    2015-05-28

    A new highly accurate potential energy curve for the krypton dimer was constructed using coupled-cluster calculations up to the singles, doubles, triples, and perturbative quadruples level, including corrections for core-core and core-valence correlation and for relativistic effects. The ab initio data points were fitted to an analytic potential which was used to compute the most important transport properties of the krypton gas. The viscosity, thermal conductivity, self-diffusion coefficient, and thermal diffusion factor were calculated by the kinetic theory at low density and temperatures from 116 to 5000 K. The comparisons with literature experimental data as well as with values from other pair potentials indicate that our new potential is superior to all previous ones. The transport property values computed in this work are recommended as standard values over the complete temperature range.

  14. Accurate ab initio potential for the krypton dimer and transport properties of the low-density krypton gas.

    PubMed

    Waldrop, Jonathan M; Song, Bo; Patkowski, Konrad; Wang, Xiaopo

    2015-05-28

    A new highly accurate potential energy curve for the krypton dimer was constructed using coupled-cluster calculations up to the singles, doubles, triples, and perturbative quadruples level, including corrections for core-core and core-valence correlation and for relativistic effects. The ab initio data points were fitted to an analytic potential which was used to compute the most important transport properties of the krypton gas. The viscosity, thermal conductivity, self-diffusion coefficient, and thermal diffusion factor were calculated by the kinetic theory at low density and temperatures from 116 to 5000 K. The comparisons with literature experimental data as well as with values from other pair potentials indicate that our new potential is superior to all previous ones. The transport property values computed in this work are recommended as standard values over the complete temperature range. PMID:26026447

  15. Towards an accurate specific reaction parameter density functional for water dissociation on Ni(111): RPBE versus PW91.

    PubMed

    Jiang, Bin; Guo, Hua

    2016-08-01

    In search for an accurate description of the dissociative chemisorption of water on the Ni(111) surface, we report a new nine-dimensional potential energy surface (PES) based on a large number of density functional theory points using the RPBE functional. Seven-dimensional quantum dynamical calculations have been carried out on the RPBE PES, followed by site averaging and lattice effect corrections, yielding sticking probabilities that are compared with both the previous theoretical results based on a PW91 PES and experiment. It is shown that the RPBE functional increases the reaction barrier, but has otherwise a minor impact on the PES topography. Better agreement with experimental results is obtained with the new PES, but the agreement is still not quantitative. Possible sources of the remaining discrepancies are discussed.

  16. Accurate and Efficient Calculation of van der Waals Interactions Within Density Functional Theory by Local Atomic Potential Approach

    SciTech Connect

    Sun, Y. Y.; Kim, Y. H.; Lee, K.; Zhang, S. B.

    2008-01-01

    Density functional theory (DFT) in the commonly used local density or generalized gradient approximation fails to describe van der Waals (vdW) interactions that are vital to organic, biological, and other molecular systems. Here, we propose a simple, efficient, yet accurate local atomic potential (LAP) approach, named DFT+LAP, for including vdW interactions in the framework of DFT. The LAPs for H, C, N, and O are generated by fitting the DFT+LAP potential energy curves of small molecule dimers to those obtained from coupled cluster calculations with single, double, and perturbatively treated triple excitations, CCSD(T). Excellent transferability of the LAPs is demonstrated by remarkable agreement with the JSCH-2005 benchmark database [P. Jurecka et al. Phys. Chem. Chem. Phys. 8, 1985 (2006)], which provides the interaction energies of CCSD(T) quality for 165 vdW and hydrogen-bonded complexes. For over 100 vdW dominant complexes in this database, our DFT+LAP calculations give a mean absolute deviation from the benchmark results less than 0.5 kcal/mol. The DFT+LAP approach involves no extra computational cost other than standard DFT calculations and no modification of existing DFT codes, which enables straightforward quantum simulations, such as ab initio molecular dynamics, on biomolecular systems, as well as on other organic systems.

  17. Mini-columns for Conducting Breakthrough Experiments. Design and Construction

    SciTech Connect

    Dittrich, Timothy M.; Reimus, Paul William; Ware, Stuart Douglas

    2015-06-11

    Experiments with moderately and strongly sorbing radionuclides (i.e., U, Cs, Am) have shown that sorption between experimental solutions and traditional column materials must be accounted for to accurately determine stationary phase or porous media sorption properties (i.e., sorption site density, sorption site reaction rate coefficients, and partition coefficients or Kd values). This report details the materials and construction of mini-columns for use in breakthrough columns to allow for accurate measurement and modeling of sorption parameters. Material selection, construction techniques, wet packing of columns, tubing connections, and lessons learned are addressed.

  18. Column Number Density Expressions Through M = 0 and M = 1 Point Source Plumes Along Any Straight Path

    NASA Technical Reports Server (NTRS)

    Woronowicz, Michael S.

    2016-01-01

    Analytical expressions for column number density (CND) are developed for optical line of sight paths through a variety of steady free molecule point source models including directionally-constrained effusion (Mach number M = 0) and flow from a sonic orifice (M 1). Sonic orifice solutions are approximate, developed using a fair simulacrum fitted to the free molecule solution. Expressions are also developed for a spherically-symmetric thermal expansion (M = 0). CND solutions are found for the most general paths relative to these sources and briefly explored. It is determined that the maximum CND from a distant location through directed effusion and sonic orifice cases occurs along the path parallel to the source plane that intersects the plume axis. For the effusive case this value is exactly twice the CND found along the ray originating from that point of intersection and extending to infinity along the plumes axis. For sonic plumes this ratio is reduced to about 43. For high Mach number cases the maximum CND will be found along the axial centerline path.

  19. [MAX-DOAS measurements of NO2 column densities and vertical distribution at Ny-Alesund, Arctic during summer].

    PubMed

    Luo, Yu-Han; Sun, Li-Guang; Liu, Wen-Qing; Xie, Pin-Hua; Si, Fu-Qi; Zhou, Hai-Jin

    2012-09-01

    The multi-axis differential optical absorption spectroscopy (MAX-DOAS), one of the remote sensing techniques for trace gases measurements, is sensitive to the lower atmosphere by eliminating the influence of stratosphere retrieved from zenith-sky spectroscopy. Ground-based MAX-DOAS measurements were carried out to observe NO2 at Ny-Alesund, Arctic from 5th Jul to 1st Aug 2011. The differential slant column densities (DSCDs) of NO2 at four off-axis angles showed typical pattern of tropospheric absorbers. Based on the assumption that NO2 was well mixed in 0-1 km of the troposphere, the mean mixing ratio of NO2 during the measurement period was 1.023E11 molec x cm(-3). The fluctuation of NO2 might be related to the fossil fuel combustions and the photochemical reactions. The vertical distribution of NO2 at 0-3 km showed that NO2 was mainly originated from boundary layer of sea surface. PMID:23240391

  20. Tropospheric Nitrogen Dioxide Column Density Trends Seen from the 10-year Record of OMI Measurements over East Asia

    NASA Astrophysics Data System (ADS)

    Irie, H.; Muto, T.; Itahashi, S.; Kurokawa, J. I.

    2015-12-01

    The Ozone Monitoring Instrument (OMI) aboard the Aura satellite recorded the 10-year (2005-2014) of tropospheric nitrogen dioxide (NO2) vertical column density (VCD) data. The data set taken over East Asia was analyzed to estimate linear trends on national and grid bases for two periods of 2005-2011 and 2011-2014. The most striking features are leveling-off or decreasing trends seen in NO2 VCDs over China for 2011-2014 after continuous increases for 2005-2011. In particular, a significant reduction by ~14% occurred from 2013 through 2014, attaining to the level of 2009. The grid-basis trend analysis implies that the turnaround seen in the trends occurred on a province or larger spatial scale and was likely due mainly to the technical improvement such as the widespread use of de-NOx units. Another prominent features are seen in Japan, where NO2 VCDs decreased at a rate of ~4% per year from 2005 to 2011. The rate was almost unchanged between the two periods 2005-2011 and 2011-2014, while the significant power substitution of thermal power generation for the nuclear power generation took place in Japan after 2011, when a massive earthquake occurred off the Pacific coast of northern Japan. This reflects a less contribution of NOx emissions from the power plant sector than that from the transport sector in the Pacific Belt Zone lying over metropolitan areas.

  1. Si IV Column Densities Predicted from Non-equilibrium Ionization Simulations of Turbulent Mixing Layers and High-velocity Clouds

    NASA Astrophysics Data System (ADS)

    Kwak, Kyujin; Shelton, Robin L.; Henley, David B.

    2015-10-01

    We present predictions of the Si iv ions in turbulent mixing layers (TMLs) between hot and cool gas and in cool high-velocity clouds (HVCs) that travel through a hot halo, complementing the C iv, N v, and O vi predictions in Kwak & Shelton, Kwak et al., and Henley et al. We find that the Si iv ions are most abundant in regions where the hot and cool gases first begin to mix or where the mixed gas has cooled significantly. The predicted column densities of high velocity Si iv and the predicted ratios of Si iv to C iv and O vi found on individual sightlines in our HVC simulations are in good agreement with observations of high velocity gas. Low velocity Si iv is also seen in the simulations, as a result of decelerated gas in the case of the HVC simulations and when looking along directions that pass perpendicular to the direction of motion in the TML simulations. The ratios of low velocity Si iv to C iv and O vi in the TML simulations are in good agreement with those recorded for Milky Way halo gas, while the ratio of Si iv to O vi from the decelerated gas in the HVC simulations is lower than that observed at normal velocity in the Milky Way halo. We attribute the shortfall of normal velocity Si iv to not having modeled the effects of photoionization and, following Henley et al., consider a composite model that includes decelerated HVC gas, supernova remnants, galactic fountain gas, and the effect of photoionization.

  2. Satellite-observed NO2, SO2, and HCHO Vertical Column Densities in East Asia: Recent Changes and Comparisons with Regional Model

    NASA Astrophysics Data System (ADS)

    Kim, H. C.; Lee, P.; Kim, S.; Mok, J.; Yoo, H. L.; Bae, C.; Kim, B. U.; Lim, Y. K.; Woo, J. H.; Park, R.

    2015-12-01

    This study reports the recent changes in tropospheric NO2, SO2, and HCHO vertical column densities (VCD) in East Asia observed from multiple satellites, highlighting especially the annual trend changes of NO2 and SO2 over Beijing-Tianjin-Hebei (BTH) region of China since 2010. Tropospheric VCD data from Global Ozone Monitoring Experiment (GOME), SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY (SCIAMACHY), Ozone Monitoring Instrument (OMI) and GOME-2, retrieved from the Royal Netherlands Meteorological Institute (KNMI) and OMI National Aeronautics and Space Administration (NASA) standard products, are utilized to investigate the annual trends of NO2, SO2, and HCHO VCDs from 2001 to 2015. They are also compared with simulations from Community Multi-scale Air Quality Model (CMAQ) based forecast system by the Integrated Multi-scale Air Quality System for Korea (IMAQS-K) of Ajou University. Until 2011, the changes in NO2 VCD over East Asian countries agree well with the findings of previous research, including the impact of the economic downturn during 2008-2009 and the subsequent quick recovery in China. After peaking in 2011, the NO2 VCD observations from active instruments (OMI and GOME-2) over China started to show a slower decreasing trend, mostly led by the rapid changes in the BTH region in northern China. On the other hand, SO2 started to decline earlier, from 2007, but inclined back from 2010 to 2012, and then back to declining trend since 2012. While satellite observations show dramatic recent changes, the model could not reproduce those changes mostly due to its use of fixed emission inventory. We conclude that rapid update of latest emission inventory is necessary for an accurate forecast of regional air quality in east Asia, especially for upcoming international sports events in PyeongChang (Korea), Tokyo (Japan) and Beijing (China) in 2018, 2020 and 2022, respectively.

  3. Accurate validation of visible infrared double extinction simultaneous measurements of particle sizes and number densities by using densely laden standard media.

    PubMed

    Guidt, J B; Gouesbet, G; Toulouzan, J N

    1990-03-01

    Simultaneous measurements of particle sizes and number densities by means of the visible infrared double extinction technique are carried out and accurately validated. Accurate validation has been made possible by using a new kind of standard media, i.e., embedding the particles under study in a high viscosity gel. A byproduct of the work is a discussion of Beer-Lambert law limitations for multiple scattering in densely laden media.

  4. VizieR Online Data Catalog: HI4PI spectra and column density maps (HI4PI team+, 2016)

    NASA Astrophysics Data System (ADS)

    Hi4PI Collaboration; Ben Bekhti, N.; Floeer, L.; Keller, R.; Kerp, J.; Lenz, D.; Winkel, B.; Bailin, J.; Calabretta, M. R.; Dedes, L.; Ford, H. A.; Gibson, B. K.; Haud, U.; Janowiecki, S.; Kalberla, P. M. W.; Lockman, F. J.; McClure-Griffiths, N. M.; Murphy, T.; Nakanishi, H.; Pisano, D. J.; Staveley-Smith, L.

    2016-09-01

    The HI4PI data release comprises 21-cm neutral atomic hydrogen data of the Milky Way (-600km/s0°; -470km/scolumn density distribution, both, in a (1) HealPIX-grid binary table (nside=1024, Galactic coordinates, Ring indexing scheme), and (2) Standard FITS 2D images in four map projections, AIT, CAR, MOL, and SFL. Various velocity intervals were applied to calculate NHI. Equatorial and Galactic coordinate systems are provided. (16 data files).

  5. Trend analysis of satellite-observed tropospheric NO2 vertical column densities over East Asia for 2005-2014

    NASA Astrophysics Data System (ADS)

    Muto, T.; Irie, H.; Itahashi, S.

    2015-12-01

    Nitrogen dioxide (NO2) plays a central role in the troposphere as a toxic substance for the respiratory system and a precursor for ozone and aerosols. Furthermore, the OH concentration is dependent on the NO2 concentration. While trend analysis for tropospheric NO2 concentrations in several specific regions all over the world was made in literature for period until 2011, the latest trends after 2011 have not been reported yet. The time period after 2011 is of interest, because it corresponds to the 12th 5-year-plan regulating NOx emissions in China and the period with the power substitution of thermal power generation for the nuclear power generation in Japan. In this study, we first compared satellite-observed tropospheric NO2 VCDs (Vertical Column Densities) with those observed by ground-based Multi-Axis Differential Optical Absorption Spectroscopy (MAX-DOAS) instruments installed at Chiba University in order to clarify whether or not there is degradation in OMI and GOME-2 NO2 VCDs data after 2011. We concluded that there is no significant degradation in OMI and GOME-2 data, since the comparison results are similar to those reported by previous validation studies. Based on the results, tropospheric NO2 VCD trends over Central Eastern China (CEC; 30-40°N, 110.0-123.0°E) and Japan (JPN; 33.5-37.0°N, 133.0-141.0°E) regions were estimated using the regression analysis for annual mean values. Although an increase in NO2 VCDs occurred at a rate of 6%(8%) per year in OMI (GOME-2) data from 2005(2007) to 2011 over CEC, we found a decrease at a rate of 10%(11%) per year from 2011 to 2014. This reduction may be a result from the regulation of NOx emissions from coal fired power generation, iron foundry, cement plant, etc., and installation of the denitrification units during the period of 12th 5-year-plan. For JPN, both OMI and GOME-2 data sets showed that the NO2 VCDs decreased at a rate of 4% per year before 2011. The decreasing trends continued until 2014, with a

  6. Accurate dipole polarizabilities for water clusters n=2-12 at the coupled-cluster level of theory and benchmarking of various density functionals.

    SciTech Connect

    Hammond, J.; Govind, N.; Kowalski, K.; Autschbach, J.; Xantheas, S.; PNNL; Univ. of Buffalo

    2009-12-07

    The static dipole polarizabilities of water clusters (2 {le} N {le} 12) are determined at the coupled-cluster level of theory (CCSD). For the dipole polarizability of the water monomer it was determined that the role of the basis set is more important than that of electron correlation and that the basis set augmentation converges with two sets of diffuse functions. The CCSD results are used to benchmark a variety of density functionals while the performance of several families of basis sets (Dunning, Pople, and Sadlej) in producing accurate values for the polarizabilities was also examined. The Sadlej family of basis sets was found to produce accurate results when compared to the ones obtained with the much larger Dunning basis sets. It was furthermore determined that the PBE0 density functional with the aug-cc-pVDZ basis set produces overall remarkably accurate polarizabilities at a moderate computational cost.

  7. Synthetic observations of molecular clouds in a galactic centre environment - I. Studying maps of column density and integrated intensity

    NASA Astrophysics Data System (ADS)

    Bertram, Erik; Glover, Simon C. O.; Clark, Paul C.; Ragan, Sarah E.; Klessen, Ralf S.

    2016-02-01

    We run numerical simulations of molecular clouds, adopting properties similar to those found in the central molecular zone (CMZ) of the Milky Way. For this, we employ the moving mesh code AREPO and perform simulations which account for a simplified treatment of time-dependent chemistry and the non-isothermal nature of gas and dust. We perform simulations using an initial density of n0 = 103 cm-3 and a mass of 1.3 × 105 M⊙. Furthermore, we vary the virial parameter, defined as the ratio of kinetic and potential energy, α = Ekin/|Epot|, by adjusting the velocity dispersion. We set it to α = 0.5, 2.0 and 8.0, in order to analyse the impact of the kinetic energy on our results. We account for the extreme conditions in the CMZ and increase both the interstellar radiation field (ISRF) and the cosmic ray flux (CRF) by a factor of 1000 compared to the values found in the solar neighbourhood. We use the radiative transfer code RADMC-3D to compute synthetic images in various diagnostic lines. These are [C II] at 158 μm, [O I] (145 μm), [O I] (63 μm), 12CO (J = 1 → 0) and 13CO (J = 1 → 0) at 2600 and 2720 μm, respectively. When α is large, the turbulence disperses much of the gas in the cloud, reducing its mean density and allowing the ISRF to penetrate more deeply into the cloud's interior. This significantly alters the chemical composition of the cloud, leading to the dissociation of a significant amount of the molecular gas. On the other hand, when α is small, the cloud remains compact, allowing more of the molecular gas to survive. We show that in each case the atomic tracers accurately reflect most of the physical properties of both the H2 and the total gas of the cloud and that they provide a useful alternative to molecular lines when studying the interstellar medium in the CMZ.

  8. AN EXPLANATION FOR THE DIFFERENT X-RAY TO OPTICAL COLUMN DENSITIES IN THE ENVIRONMENTS OF GAMMA RAY BURSTS: A PROGENITOR EMBEDDED IN A DENSE MEDIUM

    SciTech Connect

    Krongold, Yair; Prochaska, J. Xavier

    2013-09-10

    We study the {approx}> 10 ratios in the X-ray to optical column densities inferred from afterglow spectra of gamma ray bursts (GRBs) due to gas surrounding their progenitors. We present time-evolving photoionization calculations for these afterglows and explore different conditions of their environment. We find that homogenous models of the environment (constant density) predict X-ray columns similar to those found in the optical spectra, with the bulk of the opacity being produced by neutral material at large distances from the burst. This result is independent of gas density or metallicity. Only models assuming a progenitor immersed in a dense ({approx}10{sup 2-4} cm{sup -3}) cloud of gas (with radius {approx}10 pc), with a strong, declining gradient of density for the surrounding interstellar medium (ISM) are able to account for the large X-ray to optical column density ratios. However, to avoid an unphysical correlation between the size of this cloud and the size of the ionization front produced by the GRB, the models also require that the circumburst medium is already ionized prior to the burst. The inferred cloud masses are {approx}< 10{sup 6} M{sub Sun }, even if low metallicities in the medium are assumed (Z {approx} 0.1 Z{sub Sun }). These cloud properties are consistent with those found in giant molecular clouds and our results support a scenario in which the progenitors reside within intense star formation regions of galaxies. Finally, we show that modeling over large samples of GRB afterglows may offer strong constraints on the range of properties in these clouds, and the host galaxy ISM.

  9. Loop Mediated Isothermal Amplification (LAMP) Accurately Detects Malaria DNA from Filter Paper Blood Samples of Low Density Parasitaemias

    PubMed Central

    González, Iveth J.; Polley, Spencer D.; Bell, David; Shakely, Delér; Msellem, Mwinyi I.; Björkman, Anders; Mårtensson, Andreas

    2014-01-01

    Background Loop mediated isothermal amplification (LAMP) provides an opportunity for improved, field-friendly detection of malaria infections in endemic areas. However data on the diagnostic accuracy of LAMP for active case detection, particularly low-density parasitaemias, are lacking. We therefore evaluated the performance of a new LAMP kit compared with PCR using DNA from filter paper blood spots. Methods and Findings Samples from 865 fever patients and 465 asymptomatic individuals collected in Zanzibar were analysed for Pan (all species) and Pf (P. falciparum) DNA with the Loopamp MALARIA Pan/Pf kit. Samples were amplified at 65°C for 40 minutes in a real-time turbidimeter and results were compared with nested PCR. Samples with discordant results between LAMP and nested PCR were analysed with real-time PCR. The real-time PCR corrected nested PCR result was defined as gold standard. Among the 117 (13.5%) PCR detected P. falciparum infections from fever patients (mean parasite density 7491/µL, range 6–782,400) 115, 115 and 111 were positive by Pan-LAMP, Pf-LAMP and nested PCR, respectively. The sensitivities were 98.3% (95%CI 94–99.8) for both Pan and Pf-LAMP. Among the 54 (11.6%) PCR positive samples from asymptomatic individuals (mean parasite density 10/µL, range 0–4972) Pf-LAMP had a sensitivity of 92.7% (95%CI 80.1–98.5) for detection of the 41 P. falciparum infections. Pan-LAMP had sensitivities of 97% (95%CI 84.2–99.9) and 76.9% (95%CI 46.2–95) for detection of P. falciparum and P. malariae, respectively. The specificities for both Pan and Pf-LAMP were 100% (95%CI 99.1–100) in both study groups. Conclusion Both components of the Loopamp MALARIA Pan/Pf detection kit revealed high diagnostic accuracy for parasite detection among fever patients and importantly also among asymptomatic individuals of low parasite densities from minute blood volumes preserved on filter paper. These data support LAMPs potential role for improved detection of low-density

  10. Toward Accurate Reaction Energetics for Molecular Line Growth at Surface: Quantum Monte Carlo and Density Functional Theory Calculations

    SciTech Connect

    Kanai, Y; Takeuchi, N

    2009-10-14

    We revisit the molecular line growth mechanism of styrene on the hydrogenated Si(001) 2x1 surface. In particular, we investigate the energetics of the radical chain reaction mechanism by means of diffusion quantum Monte Carlo (QMC) and density functional theory (DFT) calculations. For the exchange correlation (XC) functional we use the non-empirical generalized-gradient approximation (GGA) and meta-GGA. We find that the QMC result also predicts the intra dimer-row growth of the molecular line over the inter dimer-row growth, supporting the conclusion based on DFT results. However, the absolute magnitudes of the adsorption and reaction energies, and the heights of the energy barriers differ considerably between the QMC and DFT with the GGA/meta-GGA XC functionals.

  11. Comet P/Giacobini-Zinner electron and H2O column densities from ICE and ground-based observations

    NASA Technical Reports Server (NTRS)

    Meyer-Vernet, N.; Strauss, Michael A.; Steinberg, J. L.; Spinrad, Hyron; Mccarthy, Patrick J.

    1986-01-01

    An H2O(+) emission profile extracted from an optical CCD spectrogram obtained during the ICE/Giacobini-Zinner encounter is compared to the electron density profile deduced from in-situ measurements by the ratio experiment aboard ICE. It is concluded that the electrons and the H2O(+) ions are distributed similarly 9600 km tailward from the cometary nucleus; that the ratio of number densities of H2O(+) ions to electrons is 1/4 at this point; and that the width of the plasma sheet is 16,000 km.

  12. Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene.

    PubMed

    Abramyan, Tigran M; Snyder, James A; Yancey, Jeremy A; Thyparambil, Aby A; Wei, Yang; Stuart, Steven J; Latour, Robert A

    2015-01-01

    Interfacial force field (IFF) parameters for use with the CHARMM force field have been developed for interactions between peptides and high-density polyethylene (HDPE). Parameterization of the IFF was performed to achieve agreement between experimental and calculated adsorption free energies of small TGTG-X-GTGT host-guest peptides (T = threonine, G = glycine, and X = variable amino-acid residue) on HDPE, with ±0.5 kcal/mol agreement. This IFF parameter set consists of tuned nonbonded parameters (i.e., partial charges and Lennard-Jones parameters) for use with an in-house-modified CHARMM molecular dynamic program that enables the use of an independent set of force field parameters to control molecular behavior at a solid-liquid interface. The R correlation coefficient between the simulated and experimental peptide adsorption free energies increased from 0.00 for the standard CHARMM force field parameters to 0.88 for the tuned IFF parameters. Subsequent studies are planned to apply the tuned IFF parameter set for the simulation of protein adsorption behavior on an HDPE surface for comparison with experimental values of adsorbed protein orientation and conformation. PMID:25818122

  13. An efficient and accurate approximation to time-dependent density functional theory for systems of weakly coupled monomers

    NASA Astrophysics Data System (ADS)

    Liu, Jie; Herbert, John M.

    2015-07-01

    A novel formulation of time-dependent density functional theory (TDDFT) is derived, based on non-orthogonal, absolutely-localized molecular orbitals (ALMOs). We call this approach TDDFT(MI), in reference to ALMO-based methods for describing molecular interactions (MI) that have been developed for ground-state applications. TDDFT(MI) is intended for efficient excited-state calculations in systems composed of multiple, weakly interacting chromophores. The efficiency is based upon (1) a local excitation approximation; (2) monomer-based, singly-excited basis states; (3) an efficient localization procedure; and (4) a one-step Davidson method to solve the TDDFT(MI) working equation. We apply this methodology to study molecular dimers, water clusters, solvated chromophores, and aggregates of naphthalene diimide that form the building blocks of self-assembling organic nanotubes. Absolute errors of 0.1-0.3 eV with respect to supersystem methods are achievable for these systems, especially for cases involving an excited chromophore that is weakly coupled to several explicit solvent molecules. Excited-state calculations in an aggregate of nine naphthalene diimide monomers are ˜40 times faster than traditional TDDFT calculations.

  14. Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene

    PubMed Central

    Abramyan, Tigran M.; Snyder, James A.; Yancey, Jeremy A.; Thyparambil, Aby A.; Wei, Yang; Stuart, Steven J.; Latour, Robert A.

    2015-01-01

    Interfacial force field (IFF) parameters for use with the CHARMM force field have been developed for interactions between peptides and high-density polyethylene (HDPE). Parameterization of the IFF was performed to achieve agreement between experimental and calculated adsorption free energies of small TGTG–X–GTGT host–guest peptides (T = threonine, G = glycine, and X = variable amino-acid residue) on HDPE, with ±0.5 kcal/mol agreement. This IFF parameter set consists of tuned nonbonded parameters (i.e., partial charges and Lennard–Jones parameters) for use with an in-house-modified CHARMM molecular dynamic program that enables the use of an independent set of force field parameters to control molecular behavior at a solid–liquid interface. The R correlation coefficient between the simulated and experimental peptide adsorption free energies increased from 0.00 for the standard CHARMM force field parameters to 0.88 for the tuned IFF parameters. Subsequent studies are planned to apply the tuned IFF parameter set for the simulation of protein adsorption behavior on an HDPE surface for comparison with experimental values of adsorbed protein orientation and conformation. PMID:25818122

  15. Cholesky-decomposed density MP2 with density fitting: Accurate MP2 and double-hybrid DFT energies for large systems

    SciTech Connect

    Maurer, Simon A.; Clin, Lucien; Ochsenfeld, Christian

    2014-06-14

    Our recently developed QQR-type integral screening is introduced in our Cholesky-decomposed pseudo-densities Møller-Plesset perturbation theory of second order (CDD-MP2) method. We use the resolution-of-the-identity (RI) approximation in combination with efficient integral transformations employing sparse matrix multiplications. The RI-CDD-MP2 method shows an asymptotic cubic scaling behavior with system size and a small prefactor that results in an early crossover to conventional methods for both small and large basis sets. We also explore the use of local fitting approximations which allow to further reduce the scaling behavior for very large systems. The reliability of our method is demonstrated on test sets for interaction and reaction energies of medium sized systems and on a diverse selection from our own benchmark set for total energies of larger systems. Timings on DNA systems show that fast calculations for systems with more than 500 atoms are feasible using a single processor core. Parallelization extends the range of accessible system sizes on one computing node with multiple cores to more than 1000 atoms in a double-zeta basis and more than 500 atoms in a triple-zeta basis.

  16. Balloon-Borne Submillimeter Polarimetry of the Vela C Molecular Cloud: Systematic Dependence of Polarization Fraction on Column Density and Local Polarization-Angle Dispersion

    NASA Astrophysics Data System (ADS)

    Fissel, Laura M.; Ade, Peter A. R.; Angilè, Francesco E.; Ashton, Peter; Benton, Steven J.; Devlin, Mark J.; Dober, Bradley; Fukui, Yasuo; Galitzki, Nicholas; Gandilo, Natalie N.; Klein, Jeffrey; Korotkov, Andrei L.; Li, Zhi-Yun; Martin, Peter G.; Matthews, Tristan G.; Moncelsi, Lorenzo; Nakamura, Fumitaka; Netterfield, Calvin B.; Novak, Giles; Pascale, Enzo; Poidevin, Frédérick; Santos, Fabio P.; Savini, Giorgio; Scott, Douglas; Shariff, Jamil A.; Diego Soler, Juan; Thomas, Nicholas E.; Tucker, Carole E.; Tucker, Gregory S.; Ward-Thompson, Derek

    2016-06-01

    We present results for Vela C obtained during the 2012 flight of the Balloon-borne Large Aperture Submillimeter Telescope for Polarimetry. We mapped polarized intensity across almost the entire extent of this giant molecular cloud, in bands centered at 250, 350, and 500 μm. In this initial paper, we show our 500 μm data smoothed to a resolution of 2.‧5 (approximately 0.5 pc). We show that the mean level of the fractional polarization p and most of its spatial variations can be accounted for using an empirical three-parameter power-law fit, p \\propto {{\\boldsymbol{N}}}-0.45 {{\\boldsymbol{S}}}-0.60, where N is the hydrogen column density and S is the polarization-angle dispersion on 0.5 pc scales. The decrease of p with increasing S is expected because changes in the magnetic field direction within the cloud volume sampled by each measurement will lead to cancellation of polarization signals. The decrease of p with increasing N might be caused by the same effect, if magnetic field disorder increases for high column density sightlines. Alternatively, the intrinsic polarization efficiency of the dust grain population might be lower for material along higher density sightlines. We find no significant correlation between N and S. Comparison of observed submillimeter polarization maps with synthetic polarization maps derived from numerical simulations provides a promising method for testing star formation theories. Realistic simulations should allow for the possibility of variable intrinsic polarization efficiency. The measured levels of correlation among p, N, and S provide points of comparison between observations and simulations.

  17. Accurate characterization and understanding of interface trap density trends between atomic layer deposited dielectrics and AlGaN/GaN with bonding constraint theory

    SciTech Connect

    Ramanan, Narayanan; Lee, Bongmook; Misra, Veena

    2015-06-15

    Many dielectrics have been proposed for the gate stack or passivation of AlGaN/GaN based metal oxide semiconductor heterojunction field effect transistors, to reduce gate leakage and current collapse, both for power and RF applications. Atomic Layer Deposition (ALD) is preferred for dielectric deposition as it provides uniform, conformal, and high quality films with precise monolayer control of film thickness. Identification of the optimum ALD dielectric for the gate stack or passivation requires a critical investigation of traps created at the dielectric/AlGaN interface. In this work, a pulsed-IV traps characterization method has been used for accurate characterization of interface traps with a variety of ALD dielectrics. High-k dielectrics (HfO{sub 2}, HfAlO, and Al{sub 2}O{sub 3}) are found to host a high density of interface traps with AlGaN. In contrast, ALD SiO{sub 2} shows the lowest interface trap density (<2 × 10{sup 12 }cm{sup −2}) after annealing above 600 °C in N{sub 2} for 60 s. The trend in observed trap densities is subsequently explained with bonding constraint theory, which predicts a high density of interface traps due to a higher coordination state and bond strain in high-k dielectrics.

  18. The accurate calculation of the band gap of liquid water by means of GW corrections applied to plane-wave density functional theory molecular dynamics simulations.

    PubMed

    Fang, Changming; Li, Wun-Fan; Koster, Rik S; Klimeš, Jiří; van Blaaderen, Alfons; van Huis, Marijn A

    2015-01-01

    Knowledge about the intrinsic electronic properties of water is imperative for understanding the behaviour of aqueous solutions that are used throughout biology, chemistry, physics, and industry. The calculation of the electronic band gap of liquids is challenging, because the most accurate ab initio approaches can be applied only to small numbers of atoms, while large numbers of atoms are required for having configurations that are representative of a liquid. Here we show that a high-accuracy value for the electronic band gap of water can be obtained by combining beyond-DFT methods and statistical time-averaging. Liquid water is simulated at 300 K using a plane-wave density functional theory molecular dynamics (PW-DFT-MD) simulation and a van der Waals density functional (optB88-vdW). After applying a self-consistent GW correction the band gap of liquid water at 300 K is calculated as 7.3 eV, in good agreement with recent experimental observations in the literature (6.9 eV). For simulations of phase transformations and chemical reactions in water or aqueous solutions whereby an accurate description of the electronic structure is required, we suggest to use these advanced GW corrections in combination with the statistical analysis of quantum mechanical MD simulations.

  19. Calibrating the High Density Magnetic Port within Tissue Expanders to Achieve more Accurate Dose Calculations for Postmastectomy Patients with Immediate Breast Reconstruction

    NASA Astrophysics Data System (ADS)

    Jones, Jasmine; Zhang, Rui; Heins, David; Castle, Katherine

    In postmastectomy radiotherapy, an increasing number of patients have tissue expanders inserted subpectorally when receiving immediate breast reconstruction. These tissue expanders are composed of silicone and are inflated with saline through an internal metallic port; this serves the purpose of stretching the muscle and skin tissue over time, in order to house a permanent implant. The issue with administering radiation therapy in the presence of a tissue expander is that the port's magnetic core can potentially perturb the dose delivered to the Planning Target Volume, causing significant artifacts in CT images. Several studies have explored this problem, and suggest that density corrections must be accounted for in treatment planning. However, very few studies accurately calibrated commercial TP systems for the high density material used in the port, and no studies employed fusion imaging to yield a more accurate contour of the port in treatment planning. We compared depth dose values in the water phantom between measurement and TPS calculations, and we were able to overcome some of the inhomogeneities presented by the image artifact by fusing the KVCT and MVCT images of the tissue expander together, resulting in a more precise comparison of dose calculations at discrete locations. We expect this method to be pivotal in the quantification of dose distribution in the PTV. Research funded by the LS-AMP Award.

  20. From slant column densities to trace gas profiles: Post processing data from the new MAX-DOAS network in Mexico City

    NASA Astrophysics Data System (ADS)

    Friedrich, M. M.; Stremme, W.; Rivera, C. I.; Arellano, E. J.; Grutter, M.

    2014-12-01

    The new MAX-DOAS network in Mexico City provides results of O4, HCHO and NO2 slant column densities (SCD). Here, we present a new numerical code developed to retrieve gas profiles of NO2 and HCHO using radiative transfer simulations. We present first results of such profiles from the MAX-DOAS station located at UNAM campus. The code works in two steps: First, the O4 slant column density information is used to retrieve an aerosol profile. As an a-priori aerosol profile, we use averaged ceilometer data measured at UNAM and scaled to the total optical depth provided by the Aeronet data base. In the second step, the retrieved aerosol profile information is used together with the trace gas (HCHO or NO2) SCDs to retrieve the trace gas profiles. The inversion is based on a gauss-newton iteration scheme and uses constrained least square fitting with either optimal estimation or Tihkonov regularization. For the latter, the regulation matrix is currently constructed from the discrete first derivative operator. The forward model uses the radiative transfer code VLIDORT. The inputs to VLIDORT are calculated using temperature and pressure information from daily radiosounde measurements and aerosol single scattering optical depths and asymmetry factors from the Aeronet data base for Mexico City. For the gas absorption cross sections we use the same values as were used for the SCD calculation from the recorded spectra using QDOAS. Besides demonstrating the functionality of the algorithm showing profile retrievals of simulated SCDs with added random noise, we present HCHO and NO2 profiles retrieved from SCDs calculated from the MAX-DOAS measurements at UNAM campus at selected days.

  1. Tropospheric NO2 column densities over oases of the Taklamakan desert (NW-China): satellite DOAS observations and ground based Multi Axis DOAS measurements

    NASA Astrophysics Data System (ADS)

    Qi, Y.; Meixner, F.; Wu, Z.; Beirle, S.; Wagner, T.; Andreae, M.; Mamtimin, B.

    2012-04-01

    We report about a study on the potential role of biogenic nitric oxide (NO) emissions from soil for the tropospheric nitrogen dioxide (NO2) column density over typical, intensively used agro-ecosystems of NW-China. For that, we used (a) tropospheric NO2 column data measured from both, satellite (SCIAMACHY) and ground based (MAX-DOAS) platforms, and (b) statistical data of agricultural management as well as observed meteorological data to estimate biogenic NO soil emissions, fast near-surface conversion of NO to NO2, and the vertical dispersion of NO2. We have chosen three very remote oases (Milan, Ruoqiang, Waxxari) on the southern fringe of the Taklamakan desert in the extremely arid region of northwest China (Xinjiang Uyghur Autonomous Region). These target oases are isolated from each other as well as from other potential NO2 sources (100-150 km). Therefore, the oases can be considered as typical areal sources of predominantly soil biogenic NO. Moreover, their areal extension is pretty comparable to the typical pixel size of satellite retrievals. For the period 2003-2010, we used monthly mean tropospheric NO2 vertical column densities (VCDs, in molecules cm-2) based on data of the SCIAMACHY satellite. With regard to the satellite observations, the three selected oases can truly be considered as tropospheric NO2 hotspots in the "middle of nothing" (desert). VCDs of NO2 were always higher during growing seasons. In the growing seasons of the last 5 years, tropospheric VCDs of NO2 increased with the annual enlargement of sown and irrigated areas and obligatory strong application of fertilizers. Furthermore, we performed ground-based MAXDOAS measurements in and around Milan oasis (39.26°N, 88.91°E) in May and June 2011. On a few occasions, we measured VCDs of NO2 simultaneously upwind and downwind of Milan oasis applying two MAXDOAS instruments. VCDs of NO2 were generally observed to be significantly higher at the downwind site. This again proved that the oasis

  2. Use of quantitative shape-activity relationships to model the photoinduced toxicity of polycyclic aromatic hydrocarbons: Electron density shape features accurately predict toxicity

    SciTech Connect

    Mezey, P.G.; Zimpel, Z.; Warburton, P.; Walker, P.D.; Irvine, D.G.; Huang, X.D.; Dixon, D.G.; Greenberg, B.M.

    1998-07-01

    The quantitative shape-activity relationship (QShAR) methodology, based on accurate three-dimensional electron densities and detailed shape analysis methods, has been applied to a Lemna gibba photoinduced toxicity data set of 16 polycyclic aromatic hydrocarbon (PAH) molecules. In the first phase of the studies, a shape fragment QShAR database of PAHs was developed. The results provide a very good match to toxicity based on a combination of the local shape features of single rings in comparison to the central ring of anthracene and a more global shape feature involving larger molecular fragments. The local shape feature appears as a descriptor of the susceptibility of PAHs to photomodification and the global shape feature is probably related to photosensitization activity.

  3. Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30.

    PubMed

    Adidharma, Hertanto; Tan, Sugata P

    2016-07-01

    Canonical Monte Carlo simulations on face-centered cubic (FCC) and hexagonal closed packed (HCP) Lennard-Jones (LJ) solids are conducted at very low temperatures (0.10 ≤ T(∗) ≤ 1.20) and high densities (0.96 ≤ ρ(∗) ≤ 1.30). A simple and robust method is introduced to determine whether or not the cutoff distance used in the simulation is large enough to provide accurate thermodynamic properties, which enables us to distinguish the properties of FCC from that of HCP LJ solids with confidence, despite their close similarities. Free-energy expressions derived from the simulation results are also proposed, not only to describe the properties of those individual structures but also the FCC-liquid, FCC-vapor, and FCC-HCP solid phase equilibria.

  4. Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30

    NASA Astrophysics Data System (ADS)

    Adidharma, Hertanto; Tan, Sugata P.

    2016-07-01

    Canonical Monte Carlo simulations on face-centered cubic (FCC) and hexagonal closed packed (HCP) Lennard-Jones (LJ) solids are conducted at very low temperatures (0.10 ≤ T∗ ≤ 1.20) and high densities (0.96 ≤ ρ∗ ≤ 1.30). A simple and robust method is introduced to determine whether or not the cutoff distance used in the simulation is large enough to provide accurate thermodynamic properties, which enables us to distinguish the properties of FCC from that of HCP LJ solids with confidence, despite their close similarities. Free-energy expressions derived from the simulation results are also proposed, not only to describe the properties of those individual structures but also the FCC-liquid, FCC-vapor, and FCC-HCP solid phase equilibria.

  5. An Accurate Quartic Force Field, Fundamental Frequencies, and Binding Energy for the High Energy Density Material T(d)N4

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Martin, Jan M. L.; Kwak, Dochan (Technical Monitor)

    2002-01-01

    The CCSD(T) method has been used to compute a highly accurate quartic force field and fundamental frequencies for all N-14 and N-15 isotopomers of the high energy density material T(sub d)N(sub 4). The computed fundamental frequencies show beyond doubt that the bands observed in a matrix isolation experiment by Radziszewski and coworkers are not due to different isotopomers of T(sub d)N(sub 4). The most sophisticated thermochemical calculations to date yield a N(sub 4) -> 2N(sub 2) heat of reaction of 182.22 +/- 0.5 kcal/mol at 0 K (180.64 +/- 0.5 at 298 K). It is hoped that the data reported herein will aid in the ultimate detection of T(sub d)N(sub 4).

  6. Accurate structure, thermodynamics and spectroscopy of medium-sized radicals by hybrid Coupled Cluster/Density Functional Theory approaches: the case of phenyl radical

    PubMed Central

    Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Egidi, Franco; Puzzarini, Cristina

    2015-01-01

    The CCSD(T) model coupled with extrapolation to the complete basis-set limit and additive approaches represents the “golden standard” for the structural and spectroscopic characterization of building blocks of biomolecules and nanosystems. However, when open-shell systems are considered, additional problems related to both specific computational difficulties and the need of obtaining spin-dependent properties appear. In this contribution, we present a comprehensive study of the molecular structure and spectroscopic (IR, Raman, EPR) properties of the phenyl radical with the aim of validating an accurate computational protocol able to deal with conjugated open-shell species. We succeeded in obtaining reliable and accurate results, thus confirming and, partly, extending the available experimental data. The main issue to be pointed out is the need of going beyond the CCSD(T) level by including a full treatment of triple excitations in order to fulfil the accuracy requirements. On the other hand, the reliability of density functional theory in properly treating open-shell systems has been further confirmed. PMID:23802956

  7. Two-component density functional theory within the projector augmented-wave approach: Accurate and self-consistent computations of positron lifetimes and momentum distributions

    NASA Astrophysics Data System (ADS)

    Wiktor, Julia; Jomard, Gérald; Torrent, Marc

    2015-09-01

    Many techniques have been developed in the past in order to compute positron lifetimes in materials from first principles. However, there is still a lack of a fast and accurate self-consistent scheme that could handle accurately the forces acting on the ions induced by the presence of the positron. We will show in this paper that we have reached this goal by developing the two-component density functional theory within the projector augmented-wave (PAW) method in the open-source code abinit. This tool offers the accuracy of the all-electron methods with the computational efficiency of the plane-wave ones. We can thus deal with supercells that contain few hundreds to thousands of atoms to study point defects as well as more extended defects clusters. Moreover, using the PAW basis set allows us to use techniques able to, for instance, treat strongly correlated systems or spin-orbit coupling, which are necessary to study heavy elements, such as the actinides or their compounds.

  8. The dependence of C IV broad absorption line properties on accompanying Si IV and Al III absorption: relating quasar-wind ionization levels, kinematics, and column densities

    SciTech Connect

    Filiz Ak, N.; Brandt, W. N.; Schneider, D. P.; Trump, J. R.; Hall, P. B.; Anderson, S. F.; Hamann, F.; Myers, Adam D.; Pâris, I.; Petitjean, P.; Ross, Nicholas P.; Shen, Yue; York, Don

    2014-08-20

    We consider how the profile and multi-year variability properties of a large sample of C IV Broad Absorption Line (BAL) troughs change when BALs from Si IV and/or Al III are present at corresponding velocities, indicating that the line of sight intercepts at least some lower ionization gas. We derive a number of observational results for C IV BALs separated according to the presence or absence of accompanying lower ionization transitions, including measurements of composite profile shapes, equivalent width (EW), characteristic velocities, composite variation profiles, and EW variability. We also measure the correlations between EW and fractional-EW variability for C IV, Si IV, and Al III. Our measurements reveal the basic correlated changes between ionization level, kinematics, and column density expected in accretion-disk wind models; e.g., lines of sight including lower ionization material generally show deeper and broader C IV troughs that have smaller minimum velocities and that are less variable. Many C IV BALs with no accompanying Si IV or Al III BALs may have only mild or no saturation.

  9. Utilization of O4 slant column density to derive aerosol layer height from a spaceborne UV-visible hyperspectral sensor: sensitivity and case study

    NASA Astrophysics Data System (ADS)

    Park, S. S.; Kim, J.; Lee, H.; Torres, O.; Lee, K.-M.; Lee, S. D.

    2015-03-01

    The sensitivities of oxygen-dimer (O4) slant column densities (SCDs) to changes in aerosol layer height are investigated using simulated radiances by a radiative transfer model, Linearized Discrete Ordinate Radiative Transfer (LIDORT), and Differential Optical Absorption Spectroscopy (DOAS) technique. The sensitivities of the O4 SCDs to aerosol types and optical properties are also evaluated and compared. Among the O4 absorption bands at 340, 360, 380, and 477 nm, the O4 absorption band at 477 nm is found to be the most suitable to retrieve the aerosol effective height. However, the O4 SCD at 477 nm is significantly influenced not only by the aerosol layer effective height but also by aerosol vertical profiles, optical properties including single scattering albedo (SSA), aerosol optical depth (AOD), and surface albedo. Overall, the error of the retrieved aerosol effective height is estimated to be 414 m (16.5%), 564 m (22.4%), and 1343 m (52.5%) for absorbing, dust, and non-absorbing aerosol, respectively, assuming knowledge on the aerosol vertical distribution type. Using radiance data from the Ozone Monitoring Instrument (OMI), a new algorithm is developed to derive the aerosol effective height over East Asia after the determination of the aerosol type and AOD from the MODerate resolution Imaging Spectroradiometer (MODIS). The retrieved aerosol effective heights are lower by approximately 300 m (27 %) compared to those obtained from the ground-based LIDAR measurements.

  10. Intercomparison of NO2 Slant Column Densities and Vertical Profiles Inferred from Balloon-borne Measurements of Solar Absorption Spectra in the IR and UV/vis

    NASA Astrophysics Data System (ADS)

    Butz, A.; Boesch, H.; Camy-Peyret, C.; Dorf, M.; Dufour, G.; Payan, S.; Weidner, F.; Pfeilsticker, K.

    2003-04-01

    During a series of LPMA/DOAS (Laboratoire de Physique Moléculaire et Applications/Differential Optical Absorption Spectroscopy) stratospheric balloon flights direct solar spectra in the UV/vis and near IR were simultaneously measured by the onboard installed Fourier Transform (LPMA) and two channel grating spectrometer (DOAS). The measurements were conducted in spring and summer at high and midlatitudes during ascent of the balloon into the stratosphere (30 - 40 km) and solar occultation at balloon float altitude. Here we present a direct intercomparison of the NO_2 slant column densities (SCDs) and vertical profiles retrieved from UV/vis-DOAS and IR-LPMA measurements for a wide range of geophysical conditions (ambient pressure and temperature and solar illumination). The comparison study thus allows us to verify the applied retrieval procedures, i.e., the underlying spectroscopic dataset as well as the inversion algorithms. First intercomparison studies showed a sizeable discrepancy between NO_2 inferred by LPMA in the IR and DOAS in the visible spectral range indicating deficiencies in the spectral retrieval techniques. After introducing a temperature correction scheme for the DOAS retrieval and a new LPMA MULTIFIT procedure which minimizes the correlations of the fitting parameters by performing the inversion simultaneously in several micro-windows, a reasonably good agreement between NO_2 inferred from both instruments is found.

  11. On Lunar Exospheric Column Densities and Solar Wind Access Beyond the Terminator from ROSAT Soft X-Ray Observations of Solar Wind Charge Exchange

    NASA Technical Reports Server (NTRS)

    Collier, Michael R.; Snowden, S. L.; Sarantos, M.; Benna, M.; Carter, J. A.; Cravens, T. E.; Farrell, W. M.; Fatemi, S.; Hills, H. Kent; Hodges, R. R.; Holmstrom, M.; Kuntz, K. D.; Porter, F. Scott; Read, A.; Robertson, I. P.; Sembay, S. F.; Sibeck, D. G.; Stubbs, T. J.; Travnicek, P.; Walsh, B. M.

    2014-01-01

    We analyze the Rontgen satellite (ROSAT) position sensitive proportional counter soft X-ray image of the Moon taken on 29 June 1990 by examining the radial profile of the surface brightness in three wedges: two 19 deg wedges (one north and one south) 13-32 deg off the terminator toward the dark side and one wedge 38 deg wide centered on the antisolar direction. The radial profiles of both the north and the south wedges show significant limb brightening that is absent in the 38 deg wide antisolar wedge. An analysis of the soft X-ray intensity increase associated with the limb brightening shows that its magnitude is consistent with that expected due to solar wind charge exchange (SWCX) with the tenuous lunar atmosphere based on lunar exospheric models and hybrid simulation results of solar wind access beyond the terminator. Soft X-ray imaging thus can independently infer the total lunar limb column density including all species, a property that before now has not been measured, and provide a large-scale picture of the solar wind-lunar interaction. Because the SWCX signal appears to be dominated by exospheric species arising from solar wind implantation, this technique can also determine how the exosphere varies with solar wind conditions. Now, along with Mars, Venus, and Earth, the Moon represents another solar system body at which SWCX has been observed.

  12. Accurate quantification of mercapturic acids of styrene (PHEMAs) in human urine with direct sample injection using automated column-switching high-performance liquid chromatography coupled with tandem mass spectrometry.

    PubMed

    Reska, M; Ochsmann, E; Kraus, T; Schettgen, T

    2010-08-01

    Styrene is one of the most important industrial chemicals, with an enormously high production volume worldwide. The urinary mercapturic acids of its metabolite styrene-7,8-oxide, namely N-acetyl-S-(2-hydroxy-1-phenylethyl)-L-cysteine (PHEMA 1) and N-acetyl-S-(2-hydroxy-2-phenylethyl)-L-cysteine (PHEMA 2), are specific biomarkers for the determination of individual internal exposure to this highly reactive intermediate of styrene. We have developed and validated a fast, specific and very sensitive method for the accurate determination of the sum of phenylhydroxyethyl mercapturic acids (PHEMAs) in human urine with an automated multidimensional liquid chromatography-tandem mass spectrometry method using (13)C(6)-labelled PHEMAs as internal standards. Analytes were stripped from the urinary matrix by online extraction on a restricted access material, transferred to the analytical column and subsequently determined by tandem mass spectrometry. The limit of quantification (LOQ) for the sum of PHEMAs was 0.3 microg/L urine and allowed us to quantify the background exposure of the (smoking) general population. Precision within series and between series ranged from 1.5 to 6.8% at three concentrations ranging from 3 to 30 microg/L urine; the mean accuracy was between 104 and 110%. We applied the method to spot urine samples from 40 subjects of the general population with no known occupational exposure to styrene. The median levels (range) for the sum of PHEMAs in urine of non-smokers (n = 22) were less than 0.3 microg/L (less than 0.3 to 1.1 microg/L), whereas in urine of smokers (n = 18), the median levels were 0.46 microg/L (less than 0.3 to 2.8 microg/L). Smokers showed a significantly higher excretion of the sum of PHEMAs (p = 0.02). Owing to its automation and high sensitivity, our method is well suited for application in occupational or environmental studies.

  13. Similar synapse density in layer IV columns of the primary somatosensory cortex of transgenic mice with different brain size: implications for mechanisms underlying the differential allocation of cortical space.

    PubMed

    Gutiérrez-Ospina, Gabriel; Uribe-Querol, Eileen; Sánchez, Norma; Geovannini, Helga; Padilla, Patricia; Hernández-Echeagaray, Elizabeth

    2004-01-01

    The relative dimension of the areas constituting the cerebral cortex differs greatly in the brains of different mammalian species. The mechanisms by which such an evolutionary remodeling has occurred is not well understood. To begin exploring possible mechanisms, we took advantage of a transgenic mouse model in which the area of the primary somatosensory cortex (S1) shifts, to some extent independent from the area of the cortex as a whole, as a result of differences in the availability of insulin-like growth factor I (IGF-I). Electron microscopy estimations of synapse density in D3 and C3 cortical columns of the S1 layer IV revealed that this parameter was similar among wild type and transgenic mice with higher and lower availability of IGF-I. Because D3 and C3 columns were larger and smaller than normal in mice with higher and lower IGF-I availability, the total number of synapses contained in the average area of D3 and C3 columns increased and decreased, respectively. No differences in the number and overall arrangement of S1 columns were observed among animal groups. These results suggest that: 1) synapse density is a constant factor within the S1 cortical column structure; 2) the mechanisms and factors regulating cell number and synaptogenesis are affected as columns and cortical areas modify their relative dimensions; 3) altered availability of neurotrophic factors might be associated with changes in areal dimensions; and 4) changes in cortical areal dimensions within single lineages might result from the addition of minicolumns to preexisting columns.

  14. MAX-DOAS measurements and satellite validation of tropospheric NO2 and SO2 vertical column densities at a rural site of North China

    NASA Astrophysics Data System (ADS)

    Jin, Junli; Ma, Jianzhong; Lin, Weili; Zhao, Huarong; Shaiganfar, Reza; Beirle, Steffen; Wagner, Thomas

    2016-05-01

    North China (NC), namely Huabei in Chinese, is one of the most severely polluted regions in China, and the air pollution issues in this region have received a worldwide attention. We performed ground-based Multi Axis Differential Absorption Spectroscopy (MAX-DOAS) measurements at Gucheng, (39°08‧N, 115°40‧E), a rural site of North China about 110 km southwest of Beijing, from September 2008 to September 2010. The tropospheric vertical column densities (VCDs) of NO2 and SO2 were retrieved using the so-called geometric approximation. The results show that the tropospheric NO2 and SO2 VCDs over NC have nearly the same seasonal variation pattern, with the maximum in winter and minimum in summer, while their diurnal variations are different. We also compared the tropospheric NO2 and SO2 VCDs from our MAX-DOAS measurements with several products of corresponding OMI (Ozone Monitoring Instrument) satellite observations. While in summer good agreement is found, the satellite observations systematically underestimate the tropospheric NO2 in winter over the polluted rural area of NC, probably mostly due to the so called aerosol shielding effect. In contrast, for SO2 no such clear conclusion can be drawn, probably owing to the larger uncertainties from MAX-DOAS and in particular satellite retrievals. This indicates that improvements of the retrieval algorithm for MAX-DOAS and off-line corrections of satellite measurements for the tropospheric SO2 VCDs should be given more emphasis in the future.

  15. Column Store for GWAC: A High-cadence, High-density, Large-scale Astronomical Light Curve Pipeline and Distributed Shared-nothing Database

    NASA Astrophysics Data System (ADS)

    Wan, Meng; Wu, Chao; Wang, Jing; Qiu, Yulei; Xin, Liping; Mullender, Sjoerd; Mühleisen, Hannes; Scheers, Bart; Zhang, Ying; Nes, Niels; Kersten, Martin; Huang, Yongpan; Deng, Jinsong; Wei, Jianyan

    2016-11-01

    The ground-based wide-angle camera array (GWAC), a part of the SVOM space mission, will search for various types of optical transients by continuously imaging a field of view (FOV) of 5000 degrees2 every 15 s. Each exposure consists of 36 × 4k × 4k pixels, typically resulting in 36 × ∼175,600 extracted sources. For a modern time-domain astronomy project like GWAC, which produces massive amounts of data with a high cadence, it is challenging to search for short timescale transients in both real-time and archived data, and to build long-term light curves for variable sources. Here, we develop a high-cadence, high-density light curve pipeline (HCHDLP) to process the GWAC data in real-time, and design a distributed shared-nothing database to manage the massive amount of archived data which will be used to generate a source catalog with more than 100 billion records during 10 years of operation. First, we develop HCHDLP based on the column-store DBMS of MonetDB, taking advantage of MonetDB’s high performance when applied to massive data processing. To realize the real-time functionality of HCHDLP, we optimize the pipeline in its source association function, including both time and space complexity from outside the database (SQL semantic) and inside (RANGE-JOIN implementation), as well as in its strategy of building complex light curves. The optimized source association function is accelerated by three orders of magnitude. Second, we build a distributed database using a two-level time partitioning strategy via the MERGE TABLE and REMOTE TABLE technology of MonetDB. Intensive tests validate that our database architecture is able to achieve both linear scalability in response time and concurrent access by multiple users. In summary, our studies provide guidance for a solution to GWAC in real-time data processing and management of massive data.

  16. Utilization of O4 slant column density to derive aerosol layer height from a space-borne UV-visible hyperspectral sensor: sensitivity and case study

    NASA Astrophysics Data System (ADS)

    Park, Sang Seo; Kim, Jhoon; Lee, Hanlim; Torres, Omar; Lee, Kwang-Mog; Lee, Sang Deok

    2016-02-01

    The sensitivities of oxygen-dimer (O4) slant column densities (SCDs) to changes in aerosol layer height are investigated using the simulated radiances by a radiative transfer model, the linearized pseudo-spherical vector discrete ordinate radiative transfer (VLIDORT), and the differential optical absorption spectroscopy (DOAS) technique. The sensitivities of the O4 index (O4I), which is defined as dividing O4 SCD by 1040 molecules2 cm-5, to aerosol types and optical properties are also evaluated and compared. Among the O4 absorption bands at 340, 360, 380, and 477 nm, the O4 absorption band at 477 nm is found to be the most suitable to retrieve the aerosol effective height. However, the O4I at 477 nm is significantly influenced not only by the aerosol layer effective height but also by aerosol vertical profiles, optical properties including single scattering albedo (SSA), aerosol optical depth (AOD), particle size, and surface albedo. Overall, the error of the retrieved aerosol effective height is estimated to be 1276, 846, and 739 m for dust, non-absorbing, and absorbing aerosol, respectively, assuming knowledge on the aerosol vertical distribution shape. Using radiance data from the Ozone Monitoring Instrument (OMI), a new algorithm is developed to derive the aerosol effective height over East Asia after the determination of the aerosol type and AOD from the MODerate resolution Imaging Spectroradiometer (MODIS). About 80 % of retrieved aerosol effective heights are within the error range of 1 km compared to those obtained from the Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) measurements on thick aerosol layer cases.

  17. A SAMPLE OF INTERMEDIATE-MASS STAR-FORMING REGIONS: MAKING STARS AT MASS COLUMN DENSITIES <1 g cm{sup -2}

    SciTech Connect

    Arvidsson, K.; Kerton, C. R.; Alexander, M. J.; Kobulnicky, H. A.; Uzpen, B. E-mail: kerton@iastate.ed E-mail: chipk@uwyo.ed E-mail: buzpen@itt-tech.ed

    2010-08-15

    In an effort to understand the factors that govern the transition from low- to high-mass star formation, for the first time we identify a sample of intermediate-mass star-forming regions (IM SFRs) where stars up to (but not exceeding) {approx}8 M{sub sun} are being produced. We use IRAS colors and Spitzer Space Telescope mid-IR images, in conjunction with millimeter continuum and {sup 13}CO maps, to compile a sample of 50 IM SFRs in the inner Galaxy. These are likely to be precursors to Herbig AeBe stars and their associated clusters of low-mass stars. IM SFRs constitute embedded clusters at an early evolutionary stage akin to compact H II regions, but they lack the massive ionizing central star(s). The photodissociation regions that demarcate IM SFRs have typical diameters of {approx}1 pc and luminosities of {approx}10{sup 4} L{sub sun}, making them an order of magnitude less luminous than (ultra-)compact H II regions. IM SFRs coincide with molecular clumps of mass {approx}10{sup 3} M{sub sun} which, in turn, lie within larger molecular clouds spanning the lower end of the giant molecular cloud mass range, 10{sup 4}-10{sup 5} M{sub sun}. The IR luminosity and associated molecular mass of IM SFRs are correlated, consistent with the known luminosity-mass relationship of compact H II regions. Peak mass column densities within IM SFRs are {approx}0.1-0.5 g cm{sup -2}, a factor of several lower than ultra-compact H II regions, supporting the proposition that there is a threshold for massive star formation at {approx}1 g cm{sup -2}.

  18. Inter-Comparison of Nitrogen Dioxide Column Densities Retrieved by Ground-Based Max-Doas Under Different Instrumental Conditions Over Mainz

    NASA Astrophysics Data System (ADS)

    Bruchkouski, I.; Dziomin, V.; Ortega, I.; Volkamer, R.; Krasouski, A.

    2013-12-01

    This study is dedicated to the instrumental differences between ground-based MAX-DOAS measurement devices. Our MAX-DOAS instrument, which has been developed at the National Ozone Monitoring Research & Education Center of the Belarusian State University for the purpose of nitrogen dioxide and other atmospheric trace gases monitoring over Belarus, features a rotating mirror and a telescope directly connected to the spectrometer with a two-dimensional CCD detector. Using a mirror instead of an optical fibre makes it possible to change the field of view of the telescope, and the whole instrument is rather compact and all its components are placed outdoors in the open air. However, this makes it quite difficult to ensure a top-quality thermostabilization. In the course of the MAX-DOAS campaign, which took place in the Max Planck Institute for Chemistry in Mainz, Germany in summer of 2013, we had a great opportunity to compare our instrument with other devices of different types. In the present study we make a comparison of nitrogen dioxide slant column densities (SCDs) during several days obtained by our instrument with that measured by the device from the Department of Chemistry and Biochemistry, University of Colorado (Boulder), which has a thermostabilization level of about 0.01 degrees Celsius. We investigate the influence of the spectrometer parts thermostabilization on nitrogen dioxide SCDs retrieval. Furthermore, it was possible to modify the telescope field of view for our instrument from 0.005 to 1.3 degrees, so we performed nitrogen dioxide SCDs retrieval for different fields of view at the same angle of elevation. We analyze these measurement results and obtain an optimal field of view with the aim to achieve the highest possible signal to noise ratio.

  19. Utilization of O4 Slant Column Density to Derive Aerosol Layer Height from a Space-Borne UV-Visible Hyperspectral Sensor: Sensitivity and Case Study

    NASA Technical Reports Server (NTRS)

    Park, Sang Seo; Kim, Jhoon; Lee, Hanlim; Torres, Omar; Lee, Kwang-Mog; Lee, Sang Deok

    2016-01-01

    The sensitivities of oxygen-dimer (O4) slant column densities (SCDs) to changes in aerosol layer height are investigated using the simulated radiances by a radiative transfer model, the linearized pseudo-spherical vector discrete ordinate radiative transfer (VLIDORT), and the differential optical absorption spectroscopy (DOAS) technique. The sensitivities of the O4 index (O4I), which is defined as dividing O4 SCD by 10(sup 40) molecules (sup 2) per centimeters(sup -5), to aerosol types and optical properties are also evaluated and compared. Among the O4 absorption bands at 340, 360, 380, and 477 nanometers, the O4 absorption band at 477 nanometers is found to be the most suitable to retrieve the aerosol effective height. However, the O4I at 477 nanometers is significantly influenced not only by the aerosol layer effective height but also by aerosol vertical profiles, optical properties including single scattering albedo (SSA), aerosol optical depth (AOD), particle size, and surface albedo. Overall, the error of the retrieved aerosol effective height is estimated to be 1276, 846, and 739 meters for dust, non-absorbing, and absorbing aerosol, respectively, assuming knowledge on the aerosol vertical distribution shape. Using radiance data from the Ozone Monitoring Instrument (OMI), a new algorithm is developed to derive the aerosol effective height over East Asia after the determination of the aerosol type and AOD from the MODerate resolution Imaging Spectroradiometer (MODIS). About 80 percent of retrieved aerosol effective heights are within the error range of 1 kilometer compared to those obtained from the Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) measurements on thick aerosol layer cases.

  20. MAX-DOAS measurements and satellite validation of tropospheric NO2 and SO2 vertical column densities at a rural site of North China

    NASA Astrophysics Data System (ADS)

    Jin, Junli; Ma, Jianzhong; Lin, Weili; Zhao, Huarong; Shaiganfar, Reza; Beirle, Steffen; Wagner, Thomas

    2016-05-01

    North China (NC), namely Huabei in Chinese, is one of the most severely polluted regions in China, and the air pollution issues in this region have received a worldwide attention. We performed ground-based Multi Axis Differential Absorption Spectroscopy (MAX-DOAS) measurements at Gucheng, (39°08‧N, 115°40‧E), a rural site of North China about 110 km southwest of Beijing, from September 2008 to September 2010. The tropospheric vertical column densities (VCDs) of NO2 and SO2 were retrieved using the so-called geometric approximation. The results show that the tropospheric NO2 and SO2 VCDs over NC have nearly the same seasonal variation pattern, with the maximum in winter and minimum in summer, while their diurnal variations are different. We also compared the tropospheric NO2 and SO2 VCDs from our MAX-DOAS measurements with several products of corresponding OMI (Ozone Monitoring Instrument) satellite observations. While in summer good agreement is found, the satellite observations systematically underestimate the tropospheric NO2 in winter over the polluted rural area of NC, probably mostly due to the so called aerosol shielding effect. In contrast, for SO2 no such clear conclusion can be drawn, probably owing to the larger uncertainties from MAX-DOAS and in particular satellite retrievals. This indicates that improvements of the retrieval algorithm for MAX-DOAS and off-line corrections of satellite measurements for the tropospheric SO2 VCDs should be given more emphasis in the future.

  1. Relationship Between Column-Density and Surface Mixing Ratio: Statistical Analysis of O3 and NO2 Data from the July 2011 Maryland DISCOVER-AQ Mission

    NASA Technical Reports Server (NTRS)

    Flynn, Clare; Pickering, Kenneth E.; Crawford, James H.; Lamsol, Lok; Krotkov, Nickolay; Herman, Jay; Weinheimer, Andrew; Chen, Gao; Liu, Xiong; Szykman, James; Tsay, Si-Chee; Loughner, Christipher

    2014-01-01

    To investigate the ability of column (or partial column) information to represent surface air quality, results of linear regression analyses between surface mixing ratio data and column abundances for O3 and NO2 are presented for the July 2011 Maryland deployment of the DISCOVER-AQ mission. Data collected by the P-3B aircraft, ground-based Pandora spectrometers, Aura/OMI satellite instrument, and simulations for July 2011 from the CMAQ air quality model during this deployment provide a large and varied data set, allowing this problem to be approached from multiple perspectives. O3 columns typically exhibited a statistically significant and high degree of correlation with surface data (R(sup 2) > 0.64) in the P- 3B data set, a moderate degree of correlation (0.16 < R(sup 2) < 0.64) in the CMAQ data set, and a low degree of correlation (R(sup 2) < 0.16) in the Pandora and OMI data sets. NO2 columns typically exhibited a low to moderate degree of correlation with surface data in each data set. The results of linear regression analyses for O3 exhibited smaller errors relative to the observations than NO2 regressions. These results suggest that O3 partial column observations from future satellite instruments with sufficient sensitivity to the lower troposphere can be meaningful for surface air quality analysis.

  2. Modelling the role of electron attachment rates on column density ratios for C n H‑/C n H (n=4,6,8) in dense molecular clouds

    NASA Astrophysics Data System (ADS)

    Gianturco, F. A.; Grassi, T.; Wester, R.

    2016-10-01

    The fairly recent detection of a variety of anions in the interstellar molecular clouds have underlined the importance of realistically modelling the processes governing their abundance. To pursue this task, our earlier calculations for the radiative electron attachment (REA) rates for C4H‑, C6H‑, and C8H‑ are employed in the present work, within a broad network of other concurrent reactions, to generate the corresponding column density ratios of anion/neutral (A/N) relative abundances. The latter are then compared with those obtained in recent years from observational measurements. The calculations involved the time-dependent solutions of a large network of chemical processes over an extended time interval and included a series of runs in which the values of REA rates were repeatedly scaled over several orders of magnitude. Macroscopic parameters for the Clouds’ modelling were also varied to cover a broad range of physical environments. It was found that, within the range and quality of the processes included in the present network,and selected from state-of-the-art astrophysical databases, the REA values required to match the observed A/N ratios needed to be reduced by orders of magnitude for C4H‑ case, while the same rates for C6H‑ and C8H‑ only needed to be scaled by much smaller factors. The results suggest that the generally proposed formation of interstellar anions by REA mechanism is overestimated by current models for the C4H‑ case, for which is likely to be an inefficient path to formation. This path is thus providing a rather marginal contribution to the observed abundances of C4H‑, the latter being more likely to originate from other chemical processes in the network, as we discuss in some detail in the present work. Possible physical reasons for the much smaller differences against observations found instead for the values of the (A/N) ratios in two other, longer members of the series are put forward and analysed within the

  3. Accurate Prediction of Hyperfine Coupling Constants in Muoniated and Hydrogenated Ethyl Radicals: Ab Initio Path Integral Simulation Study with Density Functional Theory Method.

    PubMed

    Yamada, Kenta; Kawashima, Yukio; Tachikawa, Masanori

    2014-05-13

    We performed ab initio path integral molecular dynamics (PIMD) simulations with a density functional theory (DFT) method to accurately predict hyperfine coupling constants (HFCCs) in the ethyl radical (CβH3-CαH2) and its Mu-substituted (muoniated) compound (CβH2Mu-CαH2). The substitution of a Mu atom, an ultralight isotope of the H atom, with larger nuclear quantum effect is expected to strongly affect the nature of the ethyl radical. The static conventional DFT calculations of CβH3-CαH2 find that the elongation of one Cβ-H bond causes a change in the shape of potential energy curve along the rotational angle via the imbalance of attractive and repulsive interactions between the methyl and methylene groups. Investigation of the methyl-group behavior including the nuclear quantum and thermal effects shows that an unbalanced CβH2Mu group with the elongated Cβ-Mu bond rotates around the Cβ-Cα bond in a muoniated ethyl radical, quite differently from the CβH3 group with the three equivalent Cβ-H bonds in the ethyl radical. These rotations couple with other molecular motions such as the methylene-group rocking motion (inversion), leading to difficulties in reproducing the corresponding barrier heights. Our PIMD simulations successfully predict the barrier heights to be close to the experimental values and provide a significant improvement in muon and proton HFCCs given by the static conventional DFT method. Further investigation reveals that the Cβ-Mu/H stretching motion, methyl-group rotation, methylene-group rocking motion, and HFCC values deeply intertwine with each other. Because these motions are different between the radicals, a proper description of the structural fluctuations reflecting the nuclear quantum and thermal effects is vital to evaluate HFCC values in theory to be comparable to the experimental ones. Accordingly, a fundamental difference in HFCC between the radicals arises from their intrinsic molecular motions at a finite temperature, in

  4. PULSE COLUMN

    DOEpatents

    Grimmett, E.S.

    1964-01-01

    This patent covers a continuous countercurrent liquidsolids contactor column having a number of contactor states each comprising a perforated plate, a layer of balls, and a downcomer tube; a liquid-pulsing piston; and a solids discharger formed of a conical section at the bottom of the column, and a tubular extension on the lowest downcomer terminating in the conical section. Between the conical section and the downcomer extension is formed a small annular opening, through which solids fall coming through the perforated plate of the lowest contactor stage. This annular opening is small enough that the pressure drop thereacross is greater than the pressure drop upward through the lowest contactor stage. (AEC)

  5. Correlation Analysis of Column-Density Data with Surface Mixing Ratios for o3 and NO2 during Discover-Aq

    NASA Astrophysics Data System (ADS)

    Flynn, C.; Pickering, K. E.; Lamsal, L. N.; Krotkov, N. A.; Herman, J. R.; Weinheimer, A. J.; Chen, G.; Liu, X.; Tsay, S.; Loughner, C. P.; Szykman, J.

    2012-12-01

    The first deployment of the Earth Venture -1 DISCOVER-AQ (Deriving Information on Surface conditions from Column and Vertically Resolved Observations Relevant to Air Quality) project was conducted during July 2011 in the Baltimore-Washington region. In-situ sampling of trace gases was performed by the P-3B aircraft over fourteen flight days, allowing profiles of O3 and NO2 to be obtained over surface air quality monitoring sites. Surface-level volume mixing ratio data were made available for these monitoring sites by the Maryland Department of the Environment (MDE) and Environmental Protection Agency (EPA). These sites were also equipped with the ground-based Pandora UV/Vis spectrometers, observing O3 and NO2 column amounts. Satellite observations for tropospheric O3 and NO2 from Aura/OMI were also provided for the deployment period. A correlation analysis was performed between the available tropospheric column amounts of O3 and NO2 (from integration of in-situ P-3B data, from Pandora spectrometers, and from Aura/OMI) and the surface mixing ratio data for each site. A simulation of O3 and NO2 during July 2011 was performed after the end of the deployment with CMAQ v5.0 for a range of horizontal resolutions. A correlation analysis was also performed between model column amounts and model surface-level mixing ratio values. The values of the correlation coefficients obtained for the model are generally larger than those obtained for the observations, indicating that the model surface is more connected to the overlying column than was seen in the observations. However, both the model columns and the P-3B columns demonstrate larger correlation with surface mixing ratios for O3 than NO2, yielding a high degree of correlation between the O3 columns and surface values. These results suggest that ozone observations from future satellite instruments with sufficient sensitivity to the lower troposphere can be meaningful for surface air quality analysis.

  6. High steady-state column density of I((2)P3/2) atoms from I2 photodissociation at 532 nm: Towards parity non-conservation measurements.

    PubMed

    Katsoprinakis, G E; Chatzidrosos, G; Kypriotakis, J A; Stratakis, E; Rakitzis, T P

    2016-09-15

    Steady-state column densities of 10(17) cm(-2) of I((2)P3/2) atoms are produced from photodissociation of I2 vapour at 290.5 K using 5 W of 532 nm laser light. Recombination of the I((2)P3/2) atoms at the cell walls is minimized by coating the cell surface with a hydrophobic silane (dimethyldichlorosilane/DMDCS). Operation at room temperature, and at an I2 vapour pressure of ~0.2 mbar, without using a buffer gas, allows relatively low Lorentz and Doppler widths of ~2π × 1.5 (FWHM) and ~2π × 150 (HW at 1/e(2)) Mrad/s, respectively, at the M1 transition of atomic iodine at 1315 nm. These high column densities and low linewidths are favorable for parity nonconservation optical rotation measurements near this M1 transition. Furthermore, as the cell is completely sealed, this method of production of high-density (127)I((2)P3/2) atoms is also compatible with using iodine radioisotopes, such as for the production of high-density (129)I((2)P3/2).

  7. High steady-state column density of I(2P3/2) atoms from I2 photodissociation at 532 nm: Towards parity non-conservation measurements

    PubMed Central

    Katsoprinakis, G. E.; Chatzidrosos, G.; Kypriotakis, J. A.; Stratakis, E.; Rakitzis, T. P.

    2016-01-01

    Steady-state column densities of 1017 cm−2 of I(2P3/2) atoms are produced from photodissociation of I2 vapour at 290.5 K using 5 W of 532 nm laser light. Recombination of the I(2P3/2) atoms at the cell walls is minimized by coating the cell surface with a hydrophobic silane (dimethyldichlorosilane/DMDCS). Operation at room temperature, and at an I2 vapour pressure of ~0.2 mbar, without using a buffer gas, allows relatively low Lorentz and Doppler widths of ~2π × 1.5 (FWHM) and ~2π × 150 (HW at 1/e2) Mrad/s, respectively, at the M1 transition of atomic iodine at 1315 nm. These high column densities and low linewidths are favorable for parity nonconservation optical rotation measurements near this M1 transition. Furthermore, as the cell is completely sealed, this method of production of high-density 127I(2P3/2) atoms is also compatible with using iodine radioisotopes, such as for the production of high-density 129I(2P3/2). PMID:27629914

  8. High steady-state column density of I(2P3/2) atoms from I2 photodissociation at 532 nm: Towards parity non-conservation measurements

    NASA Astrophysics Data System (ADS)

    Katsoprinakis, G. E.; Chatzidrosos, G.; Kypriotakis, J. A.; Stratakis, E.; Rakitzis, T. P.

    2016-09-01

    Steady-state column densities of 1017 cm‑2 of I(2P3/2) atoms are produced from photodissociation of I2 vapour at 290.5 K using 5 W of 532 nm laser light. Recombination of the I(2P3/2) atoms at the cell walls is minimized by coating the cell surface with a hydrophobic silane (dimethyldichlorosilane/DMDCS). Operation at room temperature, and at an I2 vapour pressure of ~0.2 mbar, without using a buffer gas, allows relatively low Lorentz and Doppler widths of ~2π × 1.5 (FWHM) and ~2π × 150 (HW at 1/e2) Mrad/s, respectively, at the M1 transition of atomic iodine at 1315 nm. These high column densities and low linewidths are favorable for parity nonconservation optical rotation measurements near this M1 transition. Furthermore, as the cell is completely sealed, this method of production of high-density 127I(2P3/2) atoms is also compatible with using iodine radioisotopes, such as for the production of high-density 129I(2P3/2).

  9. High steady-state column density of I((2)P3/2) atoms from I2 photodissociation at 532 nm: Towards parity non-conservation measurements.

    PubMed

    Katsoprinakis, G E; Chatzidrosos, G; Kypriotakis, J A; Stratakis, E; Rakitzis, T P

    2016-01-01

    Steady-state column densities of 10(17) cm(-2) of I((2)P3/2) atoms are produced from photodissociation of I2 vapour at 290.5 K using 5 W of 532 nm laser light. Recombination of the I((2)P3/2) atoms at the cell walls is minimized by coating the cell surface with a hydrophobic silane (dimethyldichlorosilane/DMDCS). Operation at room temperature, and at an I2 vapour pressure of ~0.2 mbar, without using a buffer gas, allows relatively low Lorentz and Doppler widths of ~2π × 1.5 (FWHM) and ~2π × 150 (HW at 1/e(2)) Mrad/s, respectively, at the M1 transition of atomic iodine at 1315 nm. These high column densities and low linewidths are favorable for parity nonconservation optical rotation measurements near this M1 transition. Furthermore, as the cell is completely sealed, this method of production of high-density (127)I((2)P3/2) atoms is also compatible with using iodine radioisotopes, such as for the production of high-density (129)I((2)P3/2). PMID:27629914

  10. Column internals

    SciTech Connect

    Bravo, J.L.

    1998-02-01

    In the fields of distillation, absorption, stripping and extraction, theory and technology go hand in hand. The thermodynamic principles of phase equilibrium and the concepts of mass transfer and fluid flow are of primary importance in all of these operations. The engineer must understand these phenomena to select equipment effectively. This article discusses the latest in commercial technology in column internals for gas-liquid and liquid-liquid contacting. The principles of operation are explained vis-a-vis the characteristics of the applications in which they are used. The focus is on moderate-to-large columns for refining and chemical applications. Guidelines for selecting the most appropriate type of device are presented, and examples of typical applications are described.

  11. Virial theorem in the Kohn-Sham density-functional theory formalism: accurate calculation of the atomic quantum theory of atoms in molecules energies.

    PubMed

    Rodríguez, Juan I; Ayers, Paul W; Götz, Andreas W; Castillo-Alvarado, F L

    2009-07-14

    A new approach for computing the atom-in-molecule [quantum theory of atoms in molecule (QTAIM)] energies in Kohn-Sham density-functional theory is presented and tested by computing QTAIM energies for a set of representative molecules. In the new approach, the contribution for the correlation-kinetic energy (T(c)) is computed using the density-functional theory virial relation. Based on our calculations, it is shown that the conventional approach where atomic energies are computed using only the noninteracting part of the kinetic energy might be in error by hundreds of kJ/mol.

  12. Virial theorem in the Kohn-Sham density-functional theory formalism: accurate calculation of the atomic quantum theory of atoms in molecules energies.

    PubMed

    Rodríguez, Juan I; Ayers, Paul W; Götz, Andreas W; Castillo-Alvarado, F L

    2009-07-14

    A new approach for computing the atom-in-molecule [quantum theory of atoms in molecule (QTAIM)] energies in Kohn-Sham density-functional theory is presented and tested by computing QTAIM energies for a set of representative molecules. In the new approach, the contribution for the correlation-kinetic energy (T(c)) is computed using the density-functional theory virial relation. Based on our calculations, it is shown that the conventional approach where atomic energies are computed using only the noninteracting part of the kinetic energy might be in error by hundreds of kJ/mol. PMID:19603962

  13. How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?

    PubMed

    Mardirossian, Narbe; Head-Gordon, Martin

    2016-09-13

    The 14 Minnesota density functionals published between the years 2005 and early 2016 are benchmarked on a comprehensive database of 4986 data points (84 data sets) involving molecules composed of main-group elements. The database includes noncovalent interactions, isomerization energies, thermochemistry, and barrier heights, as well as equilibrium bond lengths and equilibrium binding energies of noncovalent dimers. Additionally, the sensitivity of the Minnesota density functionals to the choice of basis set and integration grid is explored for both noncovalent interactions and thermochemistry. Overall, the main strength of the hybrid Minnesota density functionals is that the best ones provide very good performance for thermochemistry (e.g., M06-2X), barrier heights (e.g., M08-HX, M08-SO, MN15), and systems heavily characterized by self-interaction error (e.g., M06-2X, M08-HX, M08-SO, MN15), while the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies (although M06-2X is recommended from the 10 hybrid Minnesota functionals). Similarly, the main strength of the local Minnesota density functionals is that the best ones provide very good performance for thermochemistry (e.g., MN15-L), barrier heights (e.g., MN12-L), and systems heavily characterized by self-interaction error (e.g., MN12-L and MN15-L), while the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies (although M06-L is clearly the best from the four local Minnesota functionals). As an overall guide, M06-2X and MN15 are perhaps the most broadly useful hybrid Minnesota functionals, while M06-L and MN15-L are perhaps the most broadly useful local Minnesota functionals, although each has different strengths and weaknesses.

  14. How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?

    PubMed

    Mardirossian, Narbe; Head-Gordon, Martin

    2016-09-13

    The 14 Minnesota density functionals published between the years 2005 and early 2016 are benchmarked on a comprehensive database of 4986 data points (84 data sets) involving molecules composed of main-group elements. The database includes noncovalent interactions, isomerization energies, thermochemistry, and barrier heights, as well as equilibrium bond lengths and equilibrium binding energies of noncovalent dimers. Additionally, the sensitivity of the Minnesota density functionals to the choice of basis set and integration grid is explored for both noncovalent interactions and thermochemistry. Overall, the main strength of the hybrid Minnesota density functionals is that the best ones provide very good performance for thermochemistry (e.g., M06-2X), barrier heights (e.g., M08-HX, M08-SO, MN15), and systems heavily characterized by self-interaction error (e.g., M06-2X, M08-HX, M08-SO, MN15), while the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies (although M06-2X is recommended from the 10 hybrid Minnesota functionals). Similarly, the main strength of the local Minnesota density functionals is that the best ones provide very good performance for thermochemistry (e.g., MN15-L), barrier heights (e.g., MN12-L), and systems heavily characterized by self-interaction error (e.g., MN12-L and MN15-L), while the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies (although M06-L is clearly the best from the four local Minnesota functionals). As an overall guide, M06-2X and MN15 are perhaps the most broadly useful hybrid Minnesota functionals, while M06-L and MN15-L are perhaps the most broadly useful local Minnesota functionals, although each has different strengths and weaknesses. PMID:27537680

  15. Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methods.

    PubMed

    Kapil, V; VandeVondele, J; Ceriotti, M

    2016-02-01

    The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious approximations. Even though recent developments have significantly reduced the overhead for modeling the quantum nature of the nuclei, the cost is still prohibitive when combined with advanced electronic structure methods. Here we present how multiple time step integrators can be combined with ring-polymer contraction techniques (effectively, multiple time stepping in imaginary time) to reduce virtually to zero the overhead of modelling nuclear quantum effects, while describing inter-atomic forces at high levels of electronic structure theory. This is demonstrated for a combination of MP2 and semi-local DFT applied to the Zundel cation. The approach can be seamlessly combined with other methods to reduce the computational cost of path integral calculations, such as high-order factorizations of the Boltzmann operator or generalized Langevin equation thermostats.

  16. Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methods

    NASA Astrophysics Data System (ADS)

    Kapil, V.; VandeVondele, J.; Ceriotti, M.

    2016-02-01

    The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious approximations. Even though recent developments have significantly reduced the overhead for modeling the quantum nature of the nuclei, the cost is still prohibitive when combined with advanced electronic structure methods. Here we present how multiple time step integrators can be combined with ring-polymer contraction techniques (effectively, multiple time stepping in imaginary time) to reduce virtually to zero the overhead of modelling nuclear quantum effects, while describing inter-atomic forces at high levels of electronic structure theory. This is demonstrated for a combination of MP2 and semi-local DFT applied to the Zundel cation. The approach can be seamlessly combined with other methods to reduce the computational cost of path integral calculations, such as high-order factorizations of the Boltzmann operator or generalized Langevin equation thermostats.

  17. Accurate identification of motor unit discharge patterns from high-density surface EMG and validation with a novel signal-based performance metric

    NASA Astrophysics Data System (ADS)

    Holobar, A.; Minetto, M. A.; Farina, D.

    2014-02-01

    Objective. A signal-based metric for assessment of accuracy of motor unit (MU) identification from high-density surface electromyograms (EMG) is introduced. This metric, so-called pulse-to-noise-ratio (PNR), is computationally efficient, does not require any additional experimental costs and can be applied to every MU that is identified by the previously developed convolution kernel compensation technique. Approach. The analytical derivation of the newly introduced metric is provided, along with its extensive experimental validation on both synthetic and experimental surface EMG signals with signal-to-noise ratios ranging from 0 to 20 dB and muscle contraction forces from 5% to 70% of the maximum voluntary contraction. Main results. In all the experimental and simulated signals, the newly introduced metric correlated significantly with both sensitivity and false alarm rate in identification of MU discharges. Practically all the MUs with PNR > 30 dB exhibited sensitivity >90% and false alarm rates <2%. Therefore, a threshold of 30 dB in PNR can be used as a simple method for selecting only reliably decomposed units. Significance. The newly introduced metric is considered a robust and reliable indicator of accuracy of MU identification. The study also shows that high-density surface EMG can be reliably decomposed at contraction forces as high as 70% of the maximum.

  18. Enhanced Constraints for Accurate Lower Bounds on Many-Electron Quantum Energies from Variational Two-Electron Reduced Density Matrix Theory

    NASA Astrophysics Data System (ADS)

    Mazziotti, David A.

    2016-10-01

    A central challenge of physics is the computation of strongly correlated quantum systems. The past ten years have witnessed the development and application of the variational calculation of the two-electron reduced density matrix (2-RDM) without the wave function. In this Letter we present an orders-of-magnitude improvement in the accuracy of 2-RDM calculations without an increase in their computational cost. The advance is based on a low-rank, dual formulation of an important constraint on the 2-RDM, the T 2 condition. Calculations are presented for metallic chains and a cadmium-selenide dimer. The low-scaling T 2 condition will have significant applications in atomic and molecular, condensed-matter, and nuclear physics.

  19. Density functional computational thermochemistry: Accurate determination of the enthalpy of formation of perfluoropropane from DFT and ab initio calculations on isodesmic reactions

    NASA Astrophysics Data System (ADS)

    Ventura, Oscar N.; Segovia, Marc

    2005-02-01

    The experimental enthalpy of formation of perfluoropropane (C 3F 8), reported originally as -1729 kJ/mol and latter corrected to -1784.7 kJ/mol, is reexamined at the light of density functional and model chemistry (G3, CBS-4, CBS-Q) calculations of several isodesmic reactions relating C 3F 8 to smaller fluoroalkanes. The average enthalpy of formation of C 3F 8 obtained from all reactions studied was -1739 ± 12 kJ/mol at the DFT level and -1748 ± 12 kJ/mol at the ab initio level, thus ruling out the larger experimental value. A value of -1732 ± 5 kJ/mol is recommended from careful analysis of the theoretical results.

  20. Accurate prediction of diradical chemistry from a single-reference density-matrix method: Model application to the bicyclobutane to gauche-1,3-butadiene isomerization

    SciTech Connect

    Bertels, Luke W.; Mazziotti, David A.

    2014-07-28

    Multireference correlation in diradical molecules can be captured by a single-reference 2-electron reduced-density-matrix (2-RDM) calculation with only single and double excitations in the 2-RDM parametrization. The 2-RDM parametrization is determined by N-representability conditions that are non-perturbative in their treatment of the electron correlation. Conventional single-reference wave function methods cannot describe the entanglement within diradical molecules without employing triple- and potentially even higher-order excitations of the mean-field determinant. In the isomerization of bicyclobutane to gauche-1,3-butadiene the parametric 2-RDM (p2-RDM) method predicts that the diradical disrotatory transition state is 58.9 kcal/mol above bicyclobutane. This barrier is in agreement with previous multireference calculations as well as recent Monte Carlo and higher-order coupled cluster calculations. The p2-RDM method predicts the Nth natural-orbital occupation number of the transition state to be 0.635, revealing its diradical character. The optimized geometry from the p2-RDM method differs in important details from the complete-active-space self-consistent-field geometry used in many previous studies including the Monte Carlo calculation.

  1. A generalized operational formula based on total electronic densities to obtain 3D pictures of the dual descriptor to reveal nucleophilic and electrophilic sites accurately on closed-shell molecules.

    PubMed

    Martínez-Araya, Jorge I

    2016-09-30

    By means of the conceptual density functional theory, the so-called dual descriptor (DD) has been adapted to be used in any closed-shell molecule that presents degeneracy in its frontier molecular orbitals. The latter is of paramount importance because a correct description of local reactivity will allow to predict the most favorable sites on a molecule to undergo nucleophilic or electrophilic attacks; on the contrary, an incomplete description of local reactivity might have serio us consequences, particularly for those experimental chemists that have the need of getting an insight about reactivity of chemical reagents before using them in synthesis to obtain a new compound. In the present work, the old approach based only on electronic densities of frontier molecular orbitals is replaced by the most accurate procedure that implies the use of total electronic densities thus keeping consistency with the essential principle of the DFT in which the electronic density is the fundamental variable and not the molecular orbitals. As a result of the present work, the DD will be able to properly describe local reactivities only in terms of total electronic densities. To test the proposed operational formula, 12 very common molecules were selected as the original definition of the DD was not able to describe their local reactivities properly. The ethylene molecule was additionally used to test the capability of the proposed operational formula to reveal a correct local reactivity even in absence of degeneracy in frontier molecular orbitals. © 2016 Wiley Periodicals, Inc. PMID:27443264

  2. Accurate wavelength measurements and modeling of FeXV to FeXIX spectra recorded in high density plasmas between 13.5 to 17 A.

    SciTech Connect

    May, M; Beiersdorfer, P; Dunn, J; Jordan, N; Osterheld, A; Faenov, A; Pikuz, T; Skobelev, I; Fora, F; Bollanti, S; Lazzaro, P D; Murra, D; Reale, A; Reale, L; Tomassetti, G; Ritucci, A; Francucci, M; Martellucci, S; Petrocelli, G

    2004-09-28

    Iron spectra have been recorded from plasmas created at three different laser plasma facilities, the Tor Vergata University laser in Rome (Italy), the Hercules laser at ENEA in Frascati (Italy), and the Compact Multipulse Terawatt (COMET) laser at LLNL in California (USA). The measurements provide a means of identifying dielectronic satellite lines from FeXVI and FeXV in the vicinity of the strong 2p {yields} 3d transitions of FeXVII. About 80 {Delta}n {ge} 1 lines of FeXV (Mg-like) to FeXIX (O-like) were recorded between 13.8 to 17.1 {angstrom} with a high spectral resolution ({lambda}/{Delta}{lambda} {approx} 4000), about thirty of these lines are from FeXVI and FeXV. The laser produced plasmas had electron temperatures between 100 to 500 eV and electron densities between 10{sup 20} to 10{sup 22} cm{sup -3}. The Hebrew University Lawrence Livermore Atomic Code (HULLAC) was used to calculate the atomic structure and atomic rates for FeXV to FeXIX. HULLAC was used to calculate synthetic line intensities at T{sub e} = 200 eV and n{sub e} = 10{sup 21}cm{sup -3} for three different conditions to illustrate the role of opacity: optically thin plasmas with no excitation-autoionization/dielectronic recombination (EA/DR) contributions to the line intensities, optically thin plasmas that included EA/DR contributions to the line intensities, and optically thick plasmas (optical depth {approx} 200 {micro}m) that included EA/DR contributions to the line intensities. The optically thick simulation best reproduced the recorded spectrum from the Hercules laser. However some discrepancies between the modeling and the recorded spectra remain.

  3. New concepts for the comparison of tropospheric NO2 column densities derived from car-MAX-DOAS observations, OMI satellite observations and the regional model CHIMERE during two MEGAPOLI campaigns in Paris 2009/10

    NASA Astrophysics Data System (ADS)

    Shaiganfar, R.; Beirle, S.; Petetin, H.; Zhang, Q.; Beekmann, M.; Wagner, T.

    2015-07-01

    We compare tropospheric column densities (vertically integrated concentrations) of NO2 from three data sets for the metropolitan area of Paris during two extensive measurement campaigns (25 days in summer 2009 and 29 days in winter 2010) within the European research project MEGAPOLI. The selected data sets comprise a regional chemical transport model (CHIMERE) as well as two observational data sets: ground-based mobile Multi-AXis-Differential Optical Absorption Spectroscopy (car-MAX-DOAS) measurements and satellite measurements from the Ozone Monitoring Instrument (OMI). On most days, car-MAX-DOAS measurements were carried out along large circles (diameter ~ 35 km) around Paris. The car-MAX-DOAS results are compared to coincident data from CHIMERE and OMI. All three data sets have their specific strengths and weaknesses, especially with respect to their spatiotemporal resolution and coverage as well as their uncertainties. Thus we compare them in two different ways: first, we simply consider the original data sets. Second, we compare modified versions making synergistic use of the complementary information from different data sets. For example, profile information from the regional model is used to improve the satellite data, observations of the horizontal trace gas distribution are used to adjust the respective spatial patterns of the model simulations, or the model is used as a transfer tool to bridge the spatial scales between car-MAX-DOAS and satellite observations. Using the modified versions of the data sets, the comparison results substantially improve compared to the original versions. In general, good agreement between the data sets is found outside the emission plume, but inside the emission plumes the tropospheric NO2 vertical column densities (VCDs). are systematically underestimated by the CHIMERE model and the satellite observations (compared to the car-MAX-DOAS observations). One major result from our study is that for satellite validation close to

  4. Starch columns: Analog model for basalt columns

    NASA Astrophysics Data System (ADS)

    Müller, Gerhard

    1998-07-01

    Desiccation of starch-water mixtures produces tensile-crack patterns which appear to be interesting, but largely unknown study objects for fracture mechanics, structural geology, and volcanology. This paper concentrates on columnar jointing and on columns in starch. Starch columns have polygonal cross sections and are very similar to basalt columns. They are produced by lamp drying starch specimens with dimensions of several centimeters and have diameters in the millimeter range. The columns develop behind a crack front which propagates from the surface into the interior. The experiments, supported by X ray tomograms, show that polygonal regularity of the crack pattern is not present at the surface but develops during penetration. This transition is steered by a minimum-fracture-energy principle. The analogy between basalt cooling and starch desiccation is far reaching: water concentration in starch is analogous to temperature in basalt, both quantities obey diffusion equations, water loss is equivalent to heat loss, the resulting contraction stresses have similar dependences on depth and time, and in both cases the material strength is exceeded. The starch experiments show that column diameters are controlled by the depth gradient of water concentration at the crack front. High (low) gradients are connected with thin (thick) columns. By analogy, a similar relation with the temperature gradient exists for basalt columns. The (normalized) starch gradients are about 3 orders of magnitude larger than the (normalized) gradients in basalt. This explains why starch columns are much thinner than basalt columns. The gradients are so different, because the crack front speeds differ by a factor of about 10: after 3 days the speed is about 10 mm/d in starch but about 100 mm/d in basalt [Peck, 1978]. The speed difference, in turn, results from the difference of the diffusion constants: the hydraulic diffusivity of starch is 2 orders of magnitude lower than the thermal

  5. Column Liquid Chromatography.

    ERIC Educational Resources Information Center

    Majors, Ronald E.; And Others

    1984-01-01

    Reviews literature covering developments of column liquid chromatography during 1982-83. Areas considered include: books and reviews; general theory; columns; instrumentation; detectors; automation and data handling; multidimensional chromatographic and column switching techniques; liquid-solid chromatography; normal bonded-phase, reversed-phase,…

  6. Dorsal column stimulator applications

    PubMed Central

    Yampolsky, Claudio; Hem, Santiago; Bendersky, Damián

    2012-01-01

    Background: Spinal cord stimulation (SCS) has been used to treat neuropathic pain since 1967. Following that, technological progress, among other advances, helped SCS become an effective tool to reduce pain. Methods: This article is a non-systematic review of the mechanism of action, indications, results, programming parameters, complications, and cost-effectiveness of SCS. Results: In spite of the existence of several studies that try to prove the mechanism of action of SCS, it still remains unknown. The mechanism of action of SCS would be based on the antidromic activation of the dorsal column fibers, which activate the inhibitory interneurons within the dorsal horn. At present, the indications of SCS are being revised constantly, while new applications are being proposed and researched worldwide. Failed back surgery syndrome (FBSS) is the most common indication for SCS, whereas, the complex regional pain syndrome (CRPS) is the second one. Also, this technique is useful in patients with refractory angina and critical limb ischemia, in whom surgical or endovascular treatment cannot be performed. Further indications may be phantom limb pain, chronic intractable pain located in the head, face, neck, or upper extremities, spinal lumbar stenosis in patients who are not surgical candidates, and others. Conclusion: Spinal cord stimulation is a useful tool for neuromodulation, if an accurate patient selection is carried out prior, which should include a trial period. Undoubtedly, this proper selection and a better knowledge of its underlying mechanisms of action, will allow this cutting edge technique to be more acceptable among pain physicians. PMID:23230533

  7. Inelastic column behavior

    NASA Technical Reports Server (NTRS)

    Duberg, John E; Wilder, Thomas W , III

    1952-01-01

    The significant findings of a theoretical study of column behavior in the plastic stress range are presented. When the behavior of a straight column is regarded as the limiting behavior of an imperfect column as the initial imperfection (lack of straightness) approaches zero, the departure from the straight configuration occurs at the tangent-modulus load. Without such a concept of the behavior of a straight column, one is led to the unrealistic conclusion that lateral deflection of the column can begin at any load between the tangent-modulus value and the Euler load, based on the original elastic modulus. A family of curves showing load against lateral deflection is presented for idealized h-section columns of various lengths and of various materials that have a systematic variation of their stress-strain curves.

  8. Microwaves Scattering by Underdense Inhomogeneous Plasma Column

    NASA Astrophysics Data System (ADS)

    Zhang, Lin; Ouyang, Jiting

    2016-03-01

    The scattering characteristics of microwaves (MWs) by an underdense inhomogeneous plasma column have been investigated. The plasma column is generated by hollow cathode discharge (HCD) in a glass tube filled with low pressure argon. The plasma density in the column can be varied by adjusting the discharge current. The scattering power of X-band MWs by the column is measured at different discharge currents and receiving angles. The results show that the column can affect the properties of scattering wave significantly regardless of its plasma frequency much lower than the incident wave frequency. The power peak of the scattering wave shifts away from 0° to about ±15° direction. The finite-different time-domain (FDTD) method is employed to analyze the wave scattering by plasma column with different electron density distributions. The reflected MW power from a metal plate located behind the column is also measured to investigate the scattering effect on reducing MW reflectivity of a metal target. This study is expected to deepen the understanding of plasma-electromagnetic wave interaction and expand the applications concerning plasma antenna and plasma stealth.

  9. Distillation Column Modeling Tools

    SciTech Connect

    2001-09-01

    Advanced Computational and Experimental Techniques will Optimize Distillation Column Operation. Distillation is a low thermal efficiency unit operation that currently consumes 4.8 quadrillion BTUs of energy...

  10. New concepts for the comparison of tropospheric NO2 column densities derived from car-MAX-DOAS observations, OMI satellite observations and the regional model CHIMERE during two MEGAPOLI campaigns in Paris 2009/10

    NASA Astrophysics Data System (ADS)

    Shaiganfar, R.; Beirle, S.; Petetin, H.; Zhang, Q.; Beekmann, M.; Wagner, T.

    2015-03-01

    We compare tropospheric column densities (vertically integrated concentrations) of NO2 from three data sets for the metropolitan area of Paris during two extensive measurement campaigns (25 days in summer 2009 and 29 days in winter 2010) within the European research project MEGAPOLI. The selected data sets comprise a regional chemical transport model (CHIMERE) as well as two observational data sets: ground based mobile Multi-AXis-Differential Optical Absorption Spectroscopy (car-MAX-DOAS) measurements and satellite measurements from the Ozone Monitoring Instrument (OMI). On most days, car-MAX-DOAS measurements were carried out along large circles (diameter ~35 km) around Paris. The car-MAX-DOAS results are compared to coincident data from CHIMERE and OMI. All three data sets have their specific strengths and weaknesses, especially with respect to their spatio-temporal resolution and coverage as well as their uncertainties. Thus we compare them in two different ways: first, we simply consider the original data sets. Second, we compare modified versions making synergistic use of the complementary information from different data sets. For example, profile information from the regional model is used to improve the satellite data, observations of the horizontal trace gas distribution are used to adjust the respective spatial patterns of the model simulations, or the model is used as a transfer tool to bridge the spatial scales between car-MAX-DOAS and satellite observations. Using the modified versions of the data sets, the comparison results substantially improve compared to the original versions. In general, good agreement between the data sets is found outside the emission plume, but inside the emission plumes the tropospheric NO2 VCDs are systematically underestimated by the CHIMERE model and the satellite observations (compared to the car-MAX-DOAS observations). One major result from our study is that for satellite validation close to strong emission sources (like

  11. Inflatable Column Structure

    NASA Technical Reports Server (NTRS)

    Hedgepeth, J. M.

    1985-01-01

    Lightweight structural member easy to store. Billowing between circumferential loops of fiber inflated column becomes series of cells. Each fiber subjected to same tension along entire length (though tension is different in different fibers). Member is called "isotensoid" column. Serves as jack for automobiles or structures during repairs. Also used as support for temporary bleachers or swimming pools.

  12. Effects on PP waves and Rayleigh waves of water column approximation

    NASA Astrophysics Data System (ADS)

    Zhou, Y.; Ni, S.

    2015-12-01

    Spectral-element method (SEM) combines the flexibility of the finite-element method and the accuracy of the pseudo-spectral method. It can handle the complexity of the 3-D earth model, such as heterogeneity of velocity and density, anisotropy, anelasticity, sharp velocity and density contrasts, topography. And with water column approximation, it can also deal with oceans. Because of its powerful ability, there are a wide range of application of SEM in studies of PP waves and Rayleigh waves. PP wave and its precursors have been used in measuring topography of 410 km or 660 km. Rayleigh waves are the most recognizable part of the seismograms and have been broadly applied in crustal and uppermost mantle tomography. In global SEM simulation, oceans are usually assumed to be incompressible, which means that the entire water column moves as a whole as a result of the normal displacement of the seafloor. It is necessary to investigate the accuracy of water column approximation when thickness of ocean approaches wavelength of the wave in the ocean water. In this paper, based on plane wave assumption, we study both the accurate form and water column approximate form of effective boundary condition. The reflection coefficient equation of PP waves with effective boundary of water was derived. Accurate and approximate PP reflection coefficient with oceans in different depth is demonstrated. The formula of Rayleigh wave phase velocity dispersion with effective water boundary is also investigated. It is shown that water column approximation in global SEM simulation is not sufficient for some parts of the ocean.

  13. Glass-silicon column

    DOEpatents

    Yu, Conrad M.

    2003-12-30

    A glass-silicon column that can operate in temperature variations between room temperature and about 450.degree. C. The glass-silicon column includes large area glass, such as a thin Corning 7740 boron-silicate glass bonded to a silicon wafer, with an electrode embedded in or mounted on glass of the column, and with a self alignment silicon post/glass hole structure. The glass/silicon components are bonded, for example be anodic bonding. In one embodiment, the column includes two outer layers of silicon each bonded to an inner layer of glass, with an electrode imbedded between the layers of glass, and with at least one self alignment hole and post arrangement. The electrode functions as a column heater, and one glass/silicon component is provided with a number of flow channels adjacent the bonded surfaces.

  14. Velocity resolved [C ii], [C i], and CO observations of the N159 star-forming region in the Large Magellanic Cloud: a complex velocity structure and variation of the column densities

    NASA Astrophysics Data System (ADS)

    Okada, Yoko; Requena-Torres, Miguel Angel; Güsten, Rolf; Stutzki, Jürgen; Wiesemeyer, Helmut; Pütz, Patrick; Ricken, Oliver

    2015-08-01

    particular between the different species. At most positions the [C ii] emission line profile is substantially wider than that of CO and [C i]. We estimated the fraction of the [C ii] integrated line emission that cannot be fitted by the CO line profile to be 20% around the CO cores, and up to 50% at the area between the cores, indicating a gas component that has a much larger velocity dispersion than the ones probed by the CO and [C i] emission. We derived the relative contribution from C+, C, and CO to the column density in each velocity bin. The result clearly shows that the contribution from C+ dominates the velocity range far from the velocities traced by the dense molecular gas. Spatially, the region located between the CO cores of N159 W and E has a higher fraction of C+ over the whole velocity range. We estimate the contribution of the ionized gas to the [C ii] emission using the ratio to the [N ii] emission, and find that the ionized gas contributes ≤19% to the [C ii] emission at its peak position, and ≤15% over the whole observed region. Using the integrated line intensities, we present the spatial distribution of I[CII]/IFIR. Conclusions: This study demonstrates that the [C ii] emission in the LMC N159 region shows significantly different velocity profiles from that of CO and [C i] emissions, emphasizing the importance of velocity resolved observations in order to distinguish different cloud components.

  15. Distillation Column Flooding Predictor

    SciTech Connect

    George E. Dzyacky

    2010-11-23

    The Flooding Predictor™ is a patented advanced control technology proven in research at the Separations Research Program, University of Texas at Austin, to increase distillation column throughput by over 6%, while also increasing energy efficiency by 10%. The research was conducted under a U. S. Department of Energy Cooperative Agreement awarded to George Dzyacky of 2ndpoint, LLC. The Flooding Predictor™ works by detecting the incipient flood point and controlling the column closer to its actual hydraulic limit than historical practices have allowed. Further, the technology uses existing column instrumentation, meaning no additional refining infrastructure is required. Refiners often push distillation columns to maximize throughput, improve separation, or simply to achieve day-to-day optimization. Attempting to achieve such operating objectives is a tricky undertaking that can result in flooding. Operators and advanced control strategies alike rely on the conventional use of delta-pressure instrumentation to approximate the column’s approach to flood. But column delta-pressure is more an inference of the column’s approach to flood than it is an actual measurement of it. As a consequence, delta pressure limits are established conservatively in order to operate in a regime where the column is never expected to flood. As a result, there is much “left on the table” when operating in such a regime, i.e. the capacity difference between controlling the column to an upper delta-pressure limit and controlling it to the actual hydraulic limit. The Flooding Predictor™, an innovative pattern recognition technology, controls columns at their actual hydraulic limit, which research shows leads to a throughput increase of over 6%. Controlling closer to the hydraulic limit also permits operation in a sweet spot of increased energy-efficiency. In this region of increased column loading, the Flooding Predictor is able to exploit the benefits of higher liquid

  16. Nuclear reactor control column

    DOEpatents

    Bachovchin, Dennis M.

    1982-01-01

    The nuclear reactor control column comprises a column disposed within the nuclear reactor core having a variable cross-section hollow channel and containing balls whose vertical location is determined by the flow of the reactor coolant through the column. The control column is divided into three basic sections wherein each of the sections has a different cross-sectional area. The uppermost section of the control column has the greatest cross-sectional area, the intermediate section of the control column has the smallest cross-sectional area, and the lowermost section of the control column has the intermediate cross-sectional area. In this manner, the area of the uppermost section can be established such that when the reactor coolant is flowing under normal conditions therethrough, the absorber balls will be lifted and suspended in a fluidized bed manner in the upper section. However, when the reactor coolant flow falls below a predetermined value, the absorber balls will fall through the intermediate section and into the lowermost section, thereby reducing the reactivity of the reactor core and shutting down the reactor.

  17. The accretion column of AE Aqr

    NASA Astrophysics Data System (ADS)

    Rodrigues, Claudia; Costa, D. Joaquim; Luna, Gerardo; Lima, Isabel J.; Silva, Karleyne M. G.; De Araujo, Jose Carlos N.; Coelho, Jaziel

    2016-07-01

    AE Aqr is a magnetic cataclysmic variable, whose white dwarf rotates at the very fast rate of 33 s modulating the flux from high-energies to optical wavelengths. There are many studies of the origin of its emission, which consider emission from a rotating magnetic field or from an accretion column. Recently, MAGIC observations have discarded AE Aqr emission in very high energy gamma-rays discarding non-thermal emission. Furthermore, soft and hard X-ray data from Swift and NuSTAR were fitted using thermal models. Here we present the modelling of AE Aqr X-ray spectra and light curve considering the emission of a magnetic accretion column using the Cyclops code. The model takes into consideration the 3D geometry of the system, allowing to properly represent the white-dwarf auto eclipse, the pre-shock column absorption, and the varying density and temperature of a tall accretion column.

  18. Microminiature gas chromatographic column

    NASA Technical Reports Server (NTRS)

    Donaldson, R. W., Jr.

    1972-01-01

    Techniques commonly used for fabrication of integrated circuits are utilized to produce long capillary tubes for microminiature chromatographs. Method involves bonding of flat silicon plate to top of spirally grooved silicon chip to close groove and form capillary column.

  19. Distillation Column Flooding Predictor

    SciTech Connect

    2002-02-01

    This factsheet describes a research project whose goal is to develop the flooding predictor, an advanced process control strategy, into a universally useable tool that will maximize the separation yield of a distillation column.

  20. Towards Atomic Column-by-Column Spectroscopy

    SciTech Connect

    Pennycook, S.J.; Rafferty, B.

    1998-09-06

    The optical arrangement of the scanning transmission electron microscope (STEM) is ideally suited for performing analysis of individual atomic columns in materials. Using the incoherent Z-contrast image as a reference, and arranging incoherent conditions also for the spectroscopy, a precise correspondence is ensured between features in the inelastic image and elastic signals. In this way the exact probe position needed to maximise the inelastic signal from a selected column can be located and monitored during the analysis using the much higher intensity elastic signal. Although object functions for EELS are typically less than 1 {Angstrom} full width at half maximum, this is still an order of magnitude larger than the corresponding object functions for elastic (or diffuse) scattering used to form the Z-contrast image. Therefore the analysis is performed with an effective probe that is significantly broader than that used for the reference Z-contrast image. For a 2.2 {Angstrom} probe the effective probe is of the order of 2.5 {Angstrom}, while for a 1.3 {Angstrom} probe the effective probe is 1.6 {Angstrom}. Such increases in effective probe size can significantly reduce or even eliminate contrast between atomic columns that are visible in the image. However, this is only true if we consider circular collector apertures. Calculations based upon the theory of Maslen and Rossouw (Maslen and Rossouw 1984; Rossouw and Maslen 1984) show that employing an annular aperture can reduce the FWHM of the inelastic object function down to values close 0.1 {Angstrom}. With practical aperture sizes it should be possible to achieve this increased spatial resolution without loosing too much signal.

  1. Eruption column physics

    SciTech Connect

    Valentine, G.A.

    1997-03-01

    In this paper the author focuses on the fluid dynamics of large-scale eruption columns. The dynamics of these columns are rooted in multiphase flow phenomena, so a major part of the paper sets up a foundation on that topic that allows one to quickly assess the inherent assumptions made in various theoretical and experimental approaches. The first part is centered on a set of complex differential equations that describe eruption columns, but the focus is on a general understanding of important physical processes rather than on the mathematics. The author discusses briefly the relative merits and weaknesses of different approaches, emphasizing that the largest advances in understanding are made by combining them. He then focuses on dynamics of steady eruption columns and then on transient phenomena. Finally he briefly reviews the effects of varying behavior of the ambient medium through which an eruption column moves. These final sections will emphasize concepts and a qualitative understanding of eruption dynamics. This paper relies on principles of continuum mechanics and transport processes but does not go into detail on the development of those principles. 36 refs., 36 figs., 3 tabs.

  2. Study of Differential Column Measurements for Urban Greenhouse Gas Emission Monitoring

    NASA Astrophysics Data System (ADS)

    Chen, Jia; Hedelius, Jacob K.; Viatte, Camille; Jones, Taylor; Franklin, Jonathan E.; Parker, Harrison; Wennberg, Paul O.; Gottlieb, Elaine W.; Dubey, Manvendra K.; Wofsy, Steven C.

    2016-04-01

    Urban areas are home to 54% of the total global population and account for ˜ 70% of total fossil fuel emissions. Accurate methods for measuring urban and regional scale carbon fluxes are required in order to design and implement policies for emissions reduction initiatives. In this paper, we demonstrate novel applications of compact solar-tracking Fourier transform spectrometers (Bruker EM27/SUN) for differential measurements of the column-averaged dry-air mole fractions (DMFs) of CH4 and CO2 within urban areas. Our differential column method uses at least two spectrometers to make simultaneous measurements of CO2, CH4 and O2 column number densities. We then compute the column-averaged DMFs XG for a gas G and the differences ΔXG between downwind and upwind stations. By accurately measuring the small differences in integrated column amounts across local and regional sources, we directly observe the mass loading of the atmosphere due to the influence of emissions in the intervening locale. The inference of the source strength is much more direct than inversion modeling using only surface concentrations, and less subject to errors associated with modeling small-scale transport phenomena. We characterize the differential sensor system using Allan variance analysis and show that the differential column measurement has a precision of 0.01% for XCO2 and XCH4 using an optimum integration time of 10 min, which corresponds to standard deviations of 0.04 ppm, and 0.2 ppb, respectively. The sensor system is very stable over time and after relocation across the contiguous US, i.e. the scaling factors between the two Harvard EM27/SUNs and the measured instrument line function parameters are consistent. We use the differential column measurements to determine the emission of an area source. We measure the downwind minus upwind column gradient ΔXCH4 (˜ 2 ppb, 0.1%) across dairy farms in the Chino California area, and input the data to a simple column model for comparison with

  3. FOREWORD: Special issue on density

    NASA Astrophysics Data System (ADS)

    Fujii, Kenichi

    2004-04-01

    silicon spheres. These technologies are currently being used not only for establishing a solid density standard, but also for determining the Avogadro constant by the x-ray crystal density method, where the density, molar mass and lattice constant of a silicon crystal are measured based on the definition of the SI units. Considering that much of the present research on the Avogadro constant has been undertaken to replace the present definition of the kilogram with a new definition based on a number of atoms, it is satisfying to note that the most accurate density standard may contribute to a new definition of the kilogram. Differential density measurements by hydrostatic weighing and by the pressure of flotation method developed for measuring the density differences between silicon crystals and solids are given in a review article and three original articles, where combined standard uncertainties of a few parts in 108 have been achieved in measuring relative density differences. These technologies are being used not only for the determination of the Avogadro constant, but also for evaluating defects in silicon crystals used in the semiconductor industry. Another important liquid used in the density standard is mercury because the pressured standard determined from mercury column barometers, the molar gas constant determined from an acoustic resonator, and the Josephson constant determined from a mercury voltmeter are all dependent on the density of mercury. A review article is therefore dedicated to an overview of the history, recommended value and recent progress in the measurement of the density of mercury. This special issue also features the technologies developed for measuring the thermodynamic properties of fluids. New instruments with a magnetic suspension balance have substantially improved the uncertainty in measuring the density of fluids at elevated pressures and temperatures. Two review articles and an original article are therefore dedicated to describing the

  4. Columns in Clay

    ERIC Educational Resources Information Center

    Leenhouts, Robin

    2010-01-01

    This article describes a clay project for students studying Greece and Rome. It provides a wonderful way to learn slab construction techniques by making small clay column capitols. With this lesson, students learn architectural vocabulary and history, understand the importance of classical architectural forms and their influence on today's…

  5. A Column Dispersion Experiment.

    ERIC Educational Resources Information Center

    Corapcioglu, M. Y.; Koroglu, F.

    1982-01-01

    Crushed glass and a Rhodamine B solution are used in a one-dimensional optically scanned column experiment to study the dispersion phenomenon in porous media. Results indicate that the described model gave satisfactory results and that the dispersion process in this experiment is basically convective. (DC)

  6. Density Gradients in Chemistry Teaching

    ERIC Educational Resources Information Center

    Miller, P. J.

    1972-01-01

    Outlines experiments in which a density gradient might be used to advantage. A density gradient consists of a column of liquid, the composition and density of which varies along its length. The procedure can be used in analysis of solutions and mixtures and in density measures of solids. (Author/TS)

  7. Accurate monotone cubic interpolation

    NASA Technical Reports Server (NTRS)

    Huynh, Hung T.

    1991-01-01

    Monotone piecewise cubic interpolants are simple and effective. They are generally third-order accurate, except near strict local extrema where accuracy degenerates to second-order due to the monotonicity constraint. Algorithms for piecewise cubic interpolants, which preserve monotonicity as well as uniform third and fourth-order accuracy are presented. The gain of accuracy is obtained by relaxing the monotonicity constraint in a geometric framework in which the median function plays a crucial role.

  8. Accurate Finite Difference Algorithms

    NASA Technical Reports Server (NTRS)

    Goodrich, John W.

    1996-01-01

    Two families of finite difference algorithms for computational aeroacoustics are presented and compared. All of the algorithms are single step explicit methods, they have the same order of accuracy in both space and time, with examples up to eleventh order, and they have multidimensional extensions. One of the algorithm families has spectral like high resolution. Propagation with high order and high resolution algorithms can produce accurate results after O(10(exp 6)) periods of propagation with eight grid points per wavelength.

  9. 11. TIMBER COLUMN AND CAST IRON COLUMN CAP IN FIFTH ...

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

    11. TIMBER COLUMN AND CAST IRON COLUMN CAP IN FIFTH FLOOR WAREHOUSE SPACE. VIEW TO SOUTHWEST. - Commercial & Industrial Buildings, Becker-Hazelton Company Warehouse, 280 Iowa Street, Dubuque, Dubuque County, IA

  10. Successfully downsize trayed columns

    SciTech Connect

    Sloley, A.W.; Fleming, B. )

    1994-03-01

    Techniques for the design and sizing of new trayed distillation columns are abundant in the literature. So, too, are the guidelines for modifying towers for operation beyond their original design range. Reducing capacity of distillation trays merits at least as much consideration. Indeed, lack of knowledge and experience in this area causes many tower failures and misdesigned columns. In this article, the authors present some practical design considerations, based on field experience, for tower trays operating at loadings dramatically lower than normal for a particular design. General considerations cover liquid and vapor hydraulics and flow behavior. Case studies are included for there typical units: a refinery vacuum crude still, a petrochemical superfractionator, and a steam stripper.

  11. Postglacial inception of the modern-AMOC based on proxy-reconstructions for 1 ka-time slices of paleo-sea surface conditions and paleo-density gradients in the upper water column

    NASA Astrophysics Data System (ADS)

    Hillaire-Marcel, Claude; de Vernal, Anne; Fréchette, Bianca

    2013-04-01

    The post-glacial evolution of paleo-sea surface conditions (winter vs summer SST and SSS; sea-ice cover) has been reconstructed for 19 sites of the northern North Atlantic and 9 Arctic sites, in 1 ka-time slices and from the Younger Dryas (YD) to 6 ka BP, based on estimates from the modern analogue technique applied to dinocyst assemblages. This information has also be used to calibrate potential density vs calcite-18O relationships, for 11 sites of the northern North Atlantic, thus allowing us to estimate the evolution of density gradients between the photic zone (as recorded by dinocysts) and the underlying pycnocline with the intermediate water layer, as recorded by 18O-data in the mesopelagic foraminifer Neogloboquadrina pachyderma. Paleo-sea surface conditions point to the persistence of strong E-W and S-N salinity and temperature gradients throughout the interval, but with large difference in the amplitude and timing for the local attainment of the so-called "Holocene optimum". Paleo-density gradients, south of the Denmark-Strait-Iceland-Faroe sills, also illustrate a strong E-W difference, with the persistence of low-density surface waters in the west, but a relatively narrow range of density values in the subsurface water layer. These paleodensity gradients also indicate that conditions suitable for intermediate- to deep-water production were restricted to the sector west of 45°W. In this area, some sporadic winter production of intermediate/deep waters might have occurred during the pre-8 ka interval possibly in relation with brine distillation from sea ice, but pervasive convection occurred later, as illustrated by higher-resolution paleo-density records from the Labrador Sea.

  12. Do column frits contribute to the on-column, flow-induced degradation of macromolecules?

    PubMed

    Striegel, André M

    2014-09-12

    Flow-induced, on-column degradation is a major hindrance to the accurate characterization of ultra-high molar mass macromolecules and colloids. This degradation is a direct result of the large shear rates which are generated within the column, which cause chain scission to occur both in the interstitial medium and, it has been postulated, at the packing particle pore boundary. An additional putative source of degradation has been the column frits, though little experimental evidence exists to either support or refute this claim. To this effect, the present experiments examine the role of the frits in the degradation of high molar mass macromolecules. Two narrow dispersity polystyrene standards, the molar mass of which differs by a factor of two, were analyzed on three different size-exclusion chromatography (SEC) columns, each with frits of different pore size, at various flow rates. In the smallest pore size column, which also contained the smallest frits and which was packed with the smallest diameter particles, the larger standard was forced to degrade by increasing the flow rate of the mobile phase. During the course of the latter portion of the study, the inlet and the outlet frits were removed from the column, in stepwise fashion. It was concluded that neither frit played any appreciable role in the degradation. Results of our studies were applied to explain previously observed degradation in ultra-high pressure liquid chromatography of polymers. The general conclusion arrived at herein is that the column frits are likely to have a secondary role (as compared to interstitial and pore boundary stresses), or no role at all, in polymer degradation for cases where the frit radius is larger than or equal to the hydraulic radius rcof the column.

  13. Can Contemporary Density Functional Theory Predict Energy Spans in Molecular Catalysis Accurately Enough To Be Applicable for in Silico Catalyst Design? A Computational/Experimental Case Study for the Ruthenium-Catalyzed Hydrogenation of Olefins.

    PubMed

    Rohmann, Kai; Hölscher, Markus; Leitner, Walter

    2016-01-13

    The catalytic hydrogenation of cyclohexene and 1-methylcyclohexene is investigated experimentally and by means of density functional theory (DFT) computations using novel ruthenium Xantphos(Ph) (4,5-bis(diphenylphosphino)-9,9-dimethylxanthene) and Xantphos(Cy) (4,5-bis(dicyclohexylphosphino)-9,9-dimethylxanthene) precatalysts [Ru(Xantphos(Ph))(PhCO2)(Cl)] (1) and [Ru(Xantphos(Cy))(PhCO2)(Cl)] (2), the synthesis, characterization, and crystal structures of which are reported. The intention of this work is to (i) understand the reaction mechanisms on the microscopic level and (ii) compare experimentally observed activation barriers with computed barriers. The Gibbs free activation energy ΔG(⧧) was obtained experimentally with precatalyst 1 from Eyring plots for the hydrogenation of cyclohexene (ΔG(⧧) = 17.2 ± 1.0 kcal/mol) and 1-methylcyclohexene (ΔG(⧧) = 18.8 ± 2.4 kcal/mol), while the Gibbs free activation energy ΔG(⧧) for the hydrogenation of cyclohexene with precatalyst 2 was determined to be 21.1 ± 2.3 kcal/mol. Plausible activation pathways and catalytic cycles were computed in the gas phase (M06-L/def2-SVP). A variety of popular density functionals (ωB97X-D, LC-ωPBE, CAM-B3LYP, B3LYP, B97-D3BJ, B3LYP-D3, BP86-D3, PBE0-D3, M06-L, MN12-L) were used to reoptimize the turnover determining states in the solvent phase (DF/def2-TZVP; IEF-PCM and/or SMD) to investigate how well the experimentally obtained activation barriers can be reproduced by the calculations. The density functionals B97-D3BJ, MN12-L, M06-L, B3LYP-D3, and CAM-B3LYP reproduce the experimentally observed activation barriers for both olefins very well with very small (0.1 kcal/mol) to moderate (3.0 kcal/mol) mean deviations from the experimental values indicating for the field of hydrogenation catalysis most of these functionals to be useful for in silico catalyst design prior to experimental work. PMID:26713773

  14. Column test-rig facility for column scanning studies

    NASA Astrophysics Data System (ADS)

    Zain, Rasif M.; Roslan, Y.

    2010-03-01

    Distillation columns are considered as one of the most critical components in oil and gas plants. The plant performance depends on the ability of these columns to function as intended. Defective columns may lead to serious consequences to the plant operation, and hence the quality of product. In order to perform any inspection techniques to distillation column for NDT practitioner, the best facility was designed when the adjustable defeats of distillation column test rig has been developed. The paper discussed the development and the function of this facility.

  15. Column test-rig facility for column scanning studies

    NASA Astrophysics Data System (ADS)

    Zain, Rasif M.; Roslan, Y.

    2009-12-01

    Distillation columns are considered as one of the most critical components in oil and gas plants. The plant performance depends on the ability of these columns to function as intended. Defective columns may lead to serious consequences to the plant operation, and hence the quality of product. In order to perform any inspection techniques to distillation column for NDT practitioner, the best facility was designed when the adjustable defeats of distillation column test rig has been developed. The paper discussed the development and the function of this facility.

  16. Accurate quantum chemical calculations

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.

    1989-01-01

    An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.

  17. Device accurately measures and records low gas-flow rates

    NASA Technical Reports Server (NTRS)

    Branum, L. W.

    1966-01-01

    Free-floating piston in a vertical column accurately measures and records low gas-flow rates. The system may be calibrated, using an adjustable flow-rate gas supply, a low pressure gage, and a sequence recorder. From the calibration rates, a nomograph may be made for easy reduction. Temperature correction may be added for further accuracy.

  18. Synthesis and applications of monolithic HPLC columns

    NASA Astrophysics Data System (ADS)

    Liang, Chengdu

    Silica and carbon monolithic columns were synthesized and modified for liquid chromatography applications. Column configurations and cladding techniques were investigated in detail. Three novel approaches have been developed for the synthesis of bimodal porous rods. Out of these three methods, gel-casting was adopted for the synthesis of silica monoliths with ordered mesopores and uniform macropores; the use of colloidal templates and dual phase separation has been successfully implemented for the synthesis of carbon monoliths with well-controlled meso- and macro- porosities. The formation of mesopores in carbon materials has been further studied in the microphase separation of block copolymers. Electrochemical modification of carbon monoliths was discovered to be an efficient method for converting covalently bonded functionalities to carbon monoliths. N,N'-diethylaminobenzene has been attached to carbon surface for the separation of proteins and protein digests. The performances of carbon-based monolithic columns were studied intensely through frontal analysis and Van Deemter plot. Temperature and pressure effects were also investigated in carbon-based columns. The density of bonding on the modified carbon monoliths was characterized by thermogravimetric analysis.

  19. SPIRAL CONTACTOR FOR SOLVENT EXTRACTION COLUMN

    DOEpatents

    Cooley, C.R.

    1961-06-13

    The patented extraction apparatus includes a column, perforated plates extending across the column, liquid pulse means connected to the column, and an imperforate spiral ribbon along the length of the column.

  20. Why Hexagonal Basalt Columns?

    PubMed

    Hofmann, Martin; Anderssohn, Robert; Bahr, Hans-Achim; Weiß, Hans-Jürgen; Nellesen, Jens

    2015-10-01

    Basalt columns with their preferably hexagonal cross sections are a fascinating example of pattern formation by crack propagation. Junctions of three propagating crack faces rearrange such that the initial right angles between them tend to approach 120°, which enables the cracks to form a pattern of regular hexagons. To promote understanding of the path on which the ideal configuration can be reached, two periodically repeatable models are presented here involving linear elastic fracture mechanics and applying the principle of maximum energy release rate. They describe the evolution of the crack pattern as a transition from rectangular start configuration to the hexagonal pattern. This is done analytically and by means of three-dimensional finite element simulation. The latter technique reproduces the curved crack path involved in this transition.

  1. Why Hexagonal Basalt Columns?

    PubMed

    Hofmann, Martin; Anderssohn, Robert; Bahr, Hans-Achim; Weiß, Hans-Jürgen; Nellesen, Jens

    2015-10-01

    Basalt columns with their preferably hexagonal cross sections are a fascinating example of pattern formation by crack propagation. Junctions of three propagating crack faces rearrange such that the initial right angles between them tend to approach 120°, which enables the cracks to form a pattern of regular hexagons. To promote understanding of the path on which the ideal configuration can be reached, two periodically repeatable models are presented here involving linear elastic fracture mechanics and applying the principle of maximum energy release rate. They describe the evolution of the crack pattern as a transition from rectangular start configuration to the hexagonal pattern. This is done analytically and by means of three-dimensional finite element simulation. The latter technique reproduces the curved crack path involved in this transition. PMID:26550724

  2. Accurate Optical Reference Catalogs

    NASA Astrophysics Data System (ADS)

    Zacharias, N.

    2006-08-01

    Current and near future all-sky astrometric catalogs on the ICRF are reviewed with the emphasis on reference star data at optical wavelengths for user applications. The standard error of a Hipparcos Catalogue star position is now about 15 mas per coordinate. For the Tycho-2 data it is typically 20 to 100 mas, depending on magnitude. The USNO CCD Astrograph Catalog (UCAC) observing program was completed in 2004 and reductions toward the final UCAC3 release are in progress. This all-sky reference catalogue will have positional errors of 15 to 70 mas for stars in the 10 to 16 mag range, with a high degree of completeness. Proper motions for the about 60 million UCAC stars will be derived by combining UCAC astrometry with available early epoch data, including yet unpublished scans of the complete set of AGK2, Hamburg Zone astrograph and USNO Black Birch programs. Accurate positional and proper motion data are combined in the Naval Observatory Merged Astrometric Dataset (NOMAD) which includes Hipparcos, Tycho-2, UCAC2, USNO-B1, NPM+SPM plate scan data for astrometry, and is supplemented by multi-band optical photometry as well as 2MASS near infrared photometry. The Milli-Arcsecond Pathfinder Survey (MAPS) mission is currently being planned at USNO. This is a micro-satellite to obtain 1 mas positions, parallaxes, and 1 mas/yr proper motions for all bright stars down to about 15th magnitude. This program will be supplemented by a ground-based program to reach 18th magnitude on the 5 mas level.

  3. Mitigation of Liquefaction in Sandy Soils Using Stone Columns

    NASA Astrophysics Data System (ADS)

    Selcuk, Levent; Kayabalı, Kamil

    2010-05-01

    Soil liquefaction is one of the leading causes of earthquake-induced damage to structures. Soil improvement methods provide effective solutions to reduce the risk of soil liquefaction. Thus, soil ground treatments are applied using various techniques. However, except for a few ground treatment methods, they generally require a high cost and a lot of time. Especially in order to prevent the risk of soil liquefaction, stone columns conctructed by vibro-systems (vibro-compaction, vibro-replacement) are one of the traditional geotechnical methods. The construction of stone columns not only enhances the ability of clean sand to drain excess pore water during an earthquake, but also increases the relative density of the soil. Thus, this application prevents the development of the excess pore water pressure in sand during earthquakes and keeps the pore pressure ratio below a certain value. This paper presents the stone column methods used against soil liquefaction in detail. At this stage, (a) the performances of the stone columns were investigated in different spacing and diameters of columns during past earthquakes, (b) recent studies about design and field applications of stone columns were presented, and (c) a new design method considering the relative density of soil and the capacity of drenage of columns were explained in sandy soil. Furthermore, with this new method, earthquake performances of the stone columns constructed at different areas were investigated before the 1989 Loma Prieta and the 1994 Northbridge earthquakes, as case histories of field applications, and design charts were compiled for suitable spacing and diameters of stone columns with consideration to the different sandy soil parameters and earhquake conditions. Key Words: Soil improvement, stone column, excess pore water pressure

  4. Buckling of a holey column.

    PubMed

    Pihler-Puzović, D; Hazel, A L; Mullin, T

    2016-09-14

    We report the results from a combined experimental and numerical investigation of buckling in a novel variant of an elastic column under axial load. We find that including a regular line of centred holes in the column can prevent conventional, global, lateral buckling. Instead, the local microstructure introduced by the holes allows the column to buckle in an entirely different, internal, mode in which the holes are compressed in alternate directions, but the column maintains the lateral reflection symmetry about its centreline. The internal buckling mode can be accommodated within a smaller external space than the global one; and it is the preferred buckling mode over an intermediate range of column lengths for sufficiently large holes. For very short or sufficiently long columns a modification of the classical, global, lateral buckling is dominant. PMID:27501288

  5. Algebraic instability of hollow electron columns and cylindrical vortices

    SciTech Connect

    Smith, R.A. ); Rosenbluth, M.N. )

    1990-02-05

    An axisymmetric, amgnetically confined electron column, in which the {bold E}{times}{bold B} rotation frequency is not a monotone function of radius, is linearly unstable to two-dimensional, electrostatic disturbances with azimuthal mode number {ital l}=1. The perturbation density is asymptotically proportional to {radical}{ital t} and may be described as a shift of the core of the column. A particle-in-cell simulation indicates that harmonics grow rapidly and that there are secondary instabilities. An identical instability arises in hollow circular vortex columns in an inviscid, incompressible neutral fluid.

  6. Compact electron beam focusing column

    SciTech Connect

    Persaud, Arun; Leung, Ka-Ngo; Reijonen, Jani

    2001-07-13

    A novel design for an electron beam focusing column has been developed at LBNL. The design is based on a low-energy spread multicusp plasma source which is used as a cathode for electron beam production. The focusing column is 10 mm in length. The electron beam is focused by means of electrostatic fields. The column is designed for a maximum voltage of 50 kV. Simulations of the electron trajectories have been performed by using the 2-D simulation code IGUN and EGUN. The electron temperature has also been incorporated into the simulations. The electron beam simulations, column design and fabrication will be discussed in this presentation.

  7. 45. MAIN MEETING ROOM COLUMNS. Ends of gallery columns identified ...

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

    45. MAIN MEETING ROOM COLUMNS. Ends of gallery columns identified at the time of removal for transfer to the George School for re-erection. The stamp reads, 'REMOVED FROM 12th ST. MTG HSE PHILA 1972'. - Twelfth Street Meeting House, 20 South Twelfth Street, Philadelphia, Philadelphia County, PA

  8. ITER relevant testing of a cryogenic distillation column system

    SciTech Connect

    Bellamy, D.G.; Robins, J.R.; Woodall, K.B.; Sood, S.K.; Gierszewski, P.

    1995-10-01

    A new experimental system has been constructed to test ITER relevant distillation columns and related cryogenic distillation (CD) hardware and control systems. These columns are used to purify tritium in the ITER fuel cycle. The ITER test column reported here has a diameter of about 30 mm and a packed length of approximately 150 cm. It can operate with a hydrogen isotope (Q{sub 2}) boilup of about 60 watts. Two 30 W refrigeration systems were coupled together to deliver as close as possible to 60 watts of cooling. The separation performance of the column was determined by accurately measuring the tritium concentration in the feed and product streams using a mixture of D{sub 2} and DT gas. Conditions which yield a column theoretical plate height as low as 2.05 cm. and a plate inventory of 0.118 moles are reported. The goal of this research program is to measure the performance of ITER relevant columns, packings, condensers, and reboilers in order to minimize hydrogen (Q{sub 2}) and tritium holdup and to show that ITER objectives can be met with smaller diameter and lower tritium inventory columns than have previously been considered. 5 refs., 4 figs.

  9. FOREWORD: Special issue on density

    NASA Astrophysics Data System (ADS)

    Fujii, Kenichi

    2004-04-01

    silicon spheres. These technologies are currently being used not only for establishing a solid density standard, but also for determining the Avogadro constant by the x-ray crystal density method, where the density, molar mass and lattice constant of a silicon crystal are measured based on the definition of the SI units. Considering that much of the present research on the Avogadro constant has been undertaken to replace the present definition of the kilogram with a new definition based on a number of atoms, it is satisfying to note that the most accurate density standard may contribute to a new definition of the kilogram. Differential density measurements by hydrostatic weighing and by the pressure of flotation method developed for measuring the density differences between silicon crystals and solids are given in a review article and three original articles, where combined standard uncertainties of a few parts in 108 have been achieved in measuring relative density differences. These technologies are being used not only for the determination of the Avogadro constant, but also for evaluating defects in silicon crystals used in the semiconductor industry. Another important liquid used in the density standard is mercury because the pressured standard determined from mercury column barometers, the molar gas constant determined from an acoustic resonator, and the Josephson constant determined from a mercury voltmeter are all dependent on the density of mercury. A review article is therefore dedicated to an overview of the history, recommended value and recent progress in the measurement of the density of mercury. This special issue also features the technologies developed for measuring the thermodynamic properties of fluids. New instruments with a magnetic suspension balance have substantially improved the uncertainty in measuring the density of fluids at elevated pressures and temperatures. Two review articles and an original article are therefore dedicated to describing the

  10. An Undergraduate Column Chromatography Experiment.

    ERIC Educational Resources Information Center

    Danot, M.; And Others

    1984-01-01

    Background information, list of materials needed, and procedures used are provided for an experiment designed to introduce undergraduate students to the theoretical and technical aspects of column chromatography. The experiment can also be shortened to serve as a demonstration of the column chromatography technique. (JN)

  11. Analyze distillation columns with thermodynamics

    SciTech Connect

    Ognisty, T.P. )

    1995-02-01

    In a distillation column, heat supplies the work for separating the components of a feed stream into products. Distillation columns consume some 95% of the total energy used in separations. This amounts to roughly 3% of the energy consumed in the US. Since distillation is so energy intensive and requires significant capital outlays, an endless quest to improve the economics has continued since the beginning of the industry. By analyzing the thermodynamics of a distillation column, an engineer can quantify the thermodynamic efficiency of the process, identify the regions where energy can be better utilized, and define the minimum targets for energy consumption. This article reviews the principles of distillation column thermodynamics and outlines the analysis of lost work profiles and column heat profiles. It then illustrates these concepts through three examples.

  12. Soil column leaching of pesticides.

    PubMed

    Katagi, Toshiyuki

    2013-01-01

    In this review, I address the practical and theoretical aspects of pesticide soil mobility.I also address the methods used to measure mobility, and the factors that influence it, and I summarize the data that have been published on the column leaching of pesticides.Pesticides that enter the unsaturated soil profile are transported downwards by the water flux, and are adsorbed, desorbed, and/or degraded as they pass through the soil. The rate of passage of a pesticide through the soil depends on the properties of the pesticide, the properties of the soil and the prevailing environmental conditions.Because large amounts of many different pesticides are used around the world, they and their degradates may sometimes contaminate groundwater at unacceptable levels.It is for this reason that assessing the transport behavior and soil mobility of pesticides before they are sold into commerce is important and is one indispensable element that regulators use to assess probable pesticide safety. Both elementary soil column leaching and sophisticated outdoor lysimeter studies are performed to measure the leaching potential for pesticides; the latter approach more reliably reflects probable field behavior, but the former is useful to initially profile a pesticide for soil mobility potential.Soil is physically heterogeneous. The structure of soil varies both vertically and laterally, and this variability affects the complex flow of water through the soil profile, making it difficult to predict with accuracy. In addition, macropores exist in soils and further add to the complexity of how water flow occurs. The degree to which soil is tilled, the density of vegetation on the surface, and the type and amounts of organic soil amendments that are added to soil further affect the movement rate of water through soil, the character of soil adsorption sites and the microbial populations that exist in the soil. Parameters that most influence the rate of pesticide mobility in soil are

  13. A simple arc column model that accounts for the relationship between voltage, current and electrode gap during VAR

    SciTech Connect

    Williamson, R.L.

    1997-02-01

    Mean arc voltage is a process parameter commonly used in vacuum arc remelting (VAR) control schemes. The response of this parameter to changes in melting current (I) and electrode gap (g{sub e}) at constant pressure may be accurately described by an equation of the form V = V{sub 0} + c{sub 1}g{sub e}I + c{sub 2}g{sub e}{sup 2} + c{sub 3}I{sup 2}, where c{sub 1}, c{sub 2} and c{sub 3} are constants, and where the non-linear terms generally constitute a relatively small correction. If the non-linear terms are ignored, the equation has the form of Ohm`s law with a constant offset (V{sub 0}), c{sub 1}g{sub e} playing the role of resistance. This implies that the arc column may be treated approximately as a simple resistor during constant current VAR, the resistance changing linearly with g{sub e}. The VAR furnace arc is known to originate from multiple cathode spot clusters situated randomly on the electrode tip surface. Each cluster marks a point of exist for conduction electrons leaving the cathode surface and entering the electrode gap. Because the spot clusters re highly localized on the cathode surface, each gives rise to an arc column that may be considered to operate independently of other local arc columns. This approximation is used to develop a model that accounts for the observed arc voltage dependence on electrode gap at constant current. Local arc column resistivity is estimated from elementary plasma physics and used to test the model for consistency by using it to predict local column heavy particle density. Furthermore, it is shown that the local arc column resistance increases as particle density increases. This is used to account for the common observation that the arc stiffens with increasing current, i.e. the arc voltage becomes more sensitive to changes in electrode gap as the melting current is increased. This explains why arc voltage is an accurate electrode gap indicator for high current VAR processes but not low current VAR processes.

  14. Mush Column Magma Chambers

    NASA Astrophysics Data System (ADS)

    Marsh, B. D.

    2002-12-01

    Magma chambers are a necessary concept in understanding the chemical and physical evolution of magma. The concept may well be similar to a transfer function in circuit or time series analysis. It does what needs to be done to transform source magma into eruptible magma. In gravity and geodetic interpretations the causative body is (usually of necessity) geometrically simple and of limited vertical extent; it is clearly difficult to `see' through the uppermost manifestation of the concentrated magma. The presence of plutons in the upper crust has reinforced the view that magma chambers are large pots of magma, but as in the physical representation of a transfer function, actual magma chambers are clearly distinct from virtual magma chambers. Two key features to understanding magmatic systems are that they are vertically integrated over large distances (e.g., 30-100 km), and that all local magmatic processes are controlled by solidification fronts. Heat transfer considerations show that any viable volcanic system must be supported by a vertically extensive plumbing system. Field and geophysical studies point to a common theme of an interconnected stack of sill-like structures extending to great depth. This is a magmatic Mush Column. The large-scale (10s of km) structure resembles the vertical structure inferred at large volcanic centers like Hawaii (e.g., Ryan et al.), and the fine scale (10s to 100s of m) structure is exemplified by ophiolites and deeply eroded sill complexes like the Ferrar dolerites of the McMurdo Dry Valleys, Antarctica. The local length scales of the sill reservoirs and interconnecting conduits produce a rich spectrum of crystallization environments with distinct solidification time scales. Extensive horizontal and vertical mushy walls provide conditions conducive to specific processes of differentiation from solidification front instability to sidewall porous flow and wall rock slumping. The size, strength, and time series of eruptive behavior

  15. Radial heterogeneity of some analytical columns used in high-performance liquid chromatography

    SciTech Connect

    Mriziq, Khaled S; Guiochon, Georges A

    2009-01-01

    An on-column electrochemical microdetector was used to determine accurately the radial distribution of the mobile phase velocity and of the column efficiency at the exit of three common analytical columns, namely a 100 mm x 4.6 mm C18 bonded silica-based monolithic column, a 150 mm x 4.6 mm column packed with 2.7 {micro}m porous shell particles of C18 bonded silica (HALO), and a 150 mm x 4.6 mm column packed with 3 {micro}m fully porous C18 bonded silica particles (LUNA). The results obtained demonstrate that all three columns are not radially homogeneous. In all three cases, the efficiency was found to be lower in the wall region of the column than in its core region (the central core with a radius of 1/3 the column inner radius). The decrease in local efficiency from the core to the wall regions was lower in the case of the monolith (ca. 25%) than in that of the two particle-packed columns (ca. 35-50%). The mobile phase velocity was found to be ca. 1.5% higher in the wall than in the core region of the monolithic column while, in contrast, it was ca. 2.5-4.0% lower in the wall region for the two particle-packed columns.

  16. Microbial activity in weathering columns.

    PubMed

    García, C; Ballester, A; González, F; Blázquez, M L

    2007-03-22

    The aim of the present work was to evaluate the metabolic activity of the microbial population associated with a pyritic tailing after a column-weathering test. For this purpose, a column 150cm high and 15cm diameter was used. The solid was a tailing with 63.4% pyrite and with minor amounts of Cu, Pb and Zn sulfides (1.4, 0.5 and 0.8%, respectively). The column model was the habitual one for weathering tests: distilled water was added at the top of the column; the water flowed down through tailings and finally was collected at the bottom for chemical and microbiological analysis. Weathering was maintained for 36 weeks. The results showed a significant presence of microbial life that was distributed selectively over the column: sulfur- and iron-oxidizing aerobic bacteria were in the more oxygenated zone; anaerobic sulfur-reducing bacteria were isolated from the samples taken from the anoxic part of the column. Activity testing showed that (oxidizing and reducing) bacteria populations were active at the end of the weathering test. The quality of the water draining from the column was thus the final product of biological oxidation and reduction promoted by the bacteria consortia.

  17. Employing anatomical knowledge in vertebral column labeling

    NASA Astrophysics Data System (ADS)

    Yao, Jianhua; Summers, Ronald M.

    2009-02-01

    The spinal column constitutes the central axis of human torso and is often used by radiologists to reference the location of organs in the chest and abdomen. However, visually identifying and labeling vertebrae is not trivial and can be timeconsuming. This paper presents an approach to automatically label vertebrae based on two pieces of anatomical knowledge: one vertebra has at most two attached ribs, and ribs are attached only to thoracic vertebrae. The spinal column is first extracted by a hybrid method using the watershed algorithm, directed acyclic graph search and a four-part vertebra model. Then curved reformations in sagittal and coronal directions are computed and aggregated intensity profiles along the spinal cord are analyzed to partition the spinal column into vertebrae. After that, candidates for rib bones are detected using features such as location, orientation, shape, size and density. Then a correspondence matrix is established to match ribs and vertebrae. The last vertebra (from thoracic to lumbar) with attached ribs is identified and labeled as T12. The rest of vertebrae are labeled accordingly. The method was tested on 50 CT scans and successfully labeled 48 of them. The two failed cases were mainly due to rudimentary ribs.

  18. Dynamics of a Tapped Granular Column

    NASA Astrophysics Data System (ADS)

    Rosato, Anthony; Blackmore, Denis; Zuo, Luo; Hao, Wu; Horntrop, David

    2015-11-01

    We consider the behavior of a column of spheres subjected to a time-dependent vertical taps. Of interest are various dynamical properties, such as the motion of its mass center, its response to taps of different intensities and forms, and the effect of system size and material properties. The interplay between diverse time and length scales are the key contributors to the column's evolving dynamics. Soft sphere discrete element simulations were conducted over a very wide parameter space to obtain a portrait of column behavior as embodied by the collective dynamics of the mass center motion. Results compared favorably with a derived reduced-order paradigm of the mass center motion (surprisingly analogous to that for a single bouncing ball on an oscillating plate) with respect to dynamical regimes and their transitions. A continuum model obtained from a system of Newtonian equations, as a locally averaged limit in the transport mode along trajectories is described, and a numerical solution protocol for a one-dimensional system is outlined. Typical trajectories and density evolution profiles are shown. We conclude with a discussion of our investigations to relate predictions of the continuum and reduced dynamical systems models with discrete simulations.

  19. Post column derivatisation analyses review. Is post-column derivatisation incompatible with modern HPLC columns?

    PubMed

    Jones, Andrew; Pravadali-Cekic, Sercan; Dennis, Gary R; Shalliker, R Andrew

    2015-08-19

    Post Column derivatisation (PCD) coupled with high performance liquid chromatography or ultra-high performance liquid chromatography is a powerful tool in the modern analytical laboratory, or at least it should be. One drawback with PCD techniques is the extra post-column dead volume due to reaction coils used to enable adequate reaction time and the mixing of reagents which causes peak broadening, hence a loss of separation power. This loss of efficiency is counter-productive to modern HPLC technologies, -such as UHPLC. We reviewed 87 PCD methods published from 2009 to 2014. We restricted our review to methods published between 2009 and 2014, because we were interested in the uptake of PCD methods in UHPLC environments. Our review focused on a range of system parameters including: column dimensions, stationary phase and particle size, as well as the geometry of the reaction loop. The most commonly used column in the methods investigated was not in fact a modern UHPLC version with sub-2-micron, (or even sub-3-micron) particles, but rather, work-house columns, such as, 250 × 4.6 mm i.d. columns packed with 5 μm C18 particles. Reaction loops were varied, even within the same type of analysis, but the majority of methods employed loop systems with volumes greater than 500 μL. A second part of this review illustrated briefly the effect of dead volume on column performance. The experiment evaluated the change in resolution and separation efficiency of some weak to moderately retained solutes on a 250 × 4.6 mm i.d. column packed with 5 μm particles. The data showed that reaction loops beyond 100 μL resulted in a very serious loss of performance. Our study concluded that practitioners of PCD methods largely avoid the use of UHPLC-type column formats, so yes, very much, PCD is incompatible with the modern HPLC column. PMID:26343427

  20. Optimal design of thermally coupled distillation columns

    SciTech Connect

    Duennebier, G.; Pantelides, C.C.

    1999-01-01

    This paper considers the optimal design of thermally coupled distillation columns and dividing wall columns using detailed column models and mathematical optimization. The column model used is capable of describing both conventional and thermally coupled columns, which allows comparisons of different structural alternatives to be made. Possible savings in both operating and capital costs of up to 30% are illustrated using two case studies.

  1. Self-Consistent Monte Carlo Simulations of Positive Column Discharges

    NASA Astrophysics Data System (ADS)

    Lawler, J. E.; Kortshagen, U.

    1998-10-01

    In recent years it has become widely recognized that electron distribution functions in atomic gas positive column discharges are best described as non local over most of the range of R× N (column radius × gas density) where positive columns are stable. The use of an efficient Monte Carlo code with a radial potential expansion in powers of r^2 and with judiciously chosen constraints on the potential near the axis and wall now provides fully self-consistent kinetic solutions using only small computers. A set of solutions at smaller R× N and lower currents are presented which exhibit the classic negative dynamic resistance of the positive column at low currents. The negative dynamic resistance is due to a non-negligible Debye length and is sometimes described as a transition from free to ambipolar diffusion. This phenomenon is sensitive to radial variations of key parameters in the positive column and thus kinetic theory simulations are likely to provide a more realistic description than classic isothermal fluid models of the positive column. Comparisons of kinetic theory simulations to various fluid models of the positive column continue to provide new insight on this `corner stone' problem of Gaseous Electronics.

  2. Self-regenerating column chromatography

    DOEpatents

    Park, Woo K.

    1995-05-30

    The present invention provides a process for treating both cations and anions by using a self-regenerating, multi-ionic exchange resin column system which requires no separate regeneration steps. The process involves alternating ion-exchange chromatography for cations and anions in a multi-ionic exchange column packed with a mixture of cation and anion exchange resins. The multi-ionic mixed-charge resin column works as a multi-function column, capable of independently processing either cationic or anionic exchange, or simultaneously processing both cationic and anionic exchanges. The major advantage offered by the alternating multi-function ion exchange process is the self-regeneration of the resins.

  3. LIQUID-LIQUID EXTRACTION COLUMNS

    DOEpatents

    Thornton, J.D.

    1957-12-31

    This patent relates to liquid-liquid extraction columns having a means for pulsing the liquid in the column to give it an oscillatory up and down movement, and consists of a packed column, an inlet pipe for the dispersed liquid phase and an outlet pipe for the continuous liquid phase located in the direct communication with the liquid in the lower part of said column, an inlet pipe for the continuous liquid phase and an outlet pipe for the dispersed liquid phase located in direct communication with the liquid in the upper part of said column, a tube having one end communicating with liquid in the lower part of said column and having its upper end located above the level of said outlet pipe for the dispersed phase, and a piston and cylinder connected to the upper end of said tube for applying a pulsating pneumatic pressure to the surface of the liquid in said tube so that said surface rises and falls in said tube.

  4. NNLOPS accurate associated HW production

    NASA Astrophysics Data System (ADS)

    Astill, William; Bizon, Wojciech; Re, Emanuele; Zanderighi, Giulia

    2016-06-01

    We present a next-to-next-to-leading order accurate description of associated HW production consistently matched to a parton shower. The method is based on reweighting events obtained with the HW plus one jet NLO accurate calculation implemented in POWHEG, extended with the MiNLO procedure, to reproduce NNLO accurate Born distributions. Since the Born kinematics is more complex than the cases treated before, we use a parametrization of the Collins-Soper angles to reduce the number of variables required for the reweighting. We present phenomenological results at 13 TeV, with cuts suggested by the Higgs Cross section Working Group.

  5. Dynamic CT scanning of spinal column trauma

    SciTech Connect

    Brown, B.M.; Brant-Zawadzki, M.; Cann, C.E.

    1982-12-01

    Dynamic sequential computed tomographic scanning with automatic table incrementation uses low milliampere-second technique to eliminate tube cooling delays between scanning slices and, thus, markedly shortens examination times. A total of 25 patients with spinal column trauma involving 28 levels were studied with dynamic scans and retrospectively reviewed. Dynamic studies were considerably faster than conventional spine examinations and yielded reliable diagnosis. Bone disruption and subluxation was accurately evaluated, and the use of intrathecal metrizamide in low doses allowed direct visualization of spinal cord or radicular compromise. Multiplanar image reformation was aided by the dynamic incrementation technique, since motion between slices (and the resulting misregistration artifact on image reformation) was minimized. A phantom was devised to test spatial resolution of computed tomography for objects 1-3 mm in size and disclosed minimal differences for dynamic and conventional computed tomographic techniques in resolving medium-to-high-contrast objects.

  6. Peak deconvolution to correctly assess the band broadening of chromatographic columns.

    PubMed

    Vanderheyden, Yoachim; Broeckhoven, Ken; Desmet, Gert

    2016-09-23

    The present study provides experimental evidence for the fact that the peak deconvolution method can be applied to accurately measure the column-only dispersion of the current generation of high speed and high efficiency columns. Unlike the conventional variance difference method, it furthermore preserves any prevailing asymmetry of the column-only peak. This has been demonstrated by testing the same column on three different system configurations, with different extra-column volumes, and showing that, after deconvolution, the resulting column-only peaks coincide very well and produce very similar column-only plate height values (typical relative standard deviation comprising all runs on three different system configurations is 2-2.5%). Extensively studying a large set of theoretically produced peaks (with exactly known variance and asymmetry), it could be shown that the main criterion for the validity of the deconvolution method is that the variance of the system-only peak is minimum 1.5 times smaller than the variance of the column+system peak. The need to add a radial mixer unit to accurately assess the system-only contributions has been demonstrated as well. To illustrate its use and merits, the deconvolution method has been used to establish so-called multiple van Deemter curves, wherein plate height curves relating to different peak width definitions are shown in the same plot. These plots can give new insights in the intrinsic asymmetry of the column-only dispersion. PMID:27578411

  7. Combining multiple regression and principal component analysis for accurate predictions for column ozone in Peninsular Malaysia

    NASA Astrophysics Data System (ADS)

    Rajab, Jasim M.; MatJafri, M. Z.; Lim, H. S.

    2013-06-01

    This study encompasses columnar ozone modelling in the peninsular Malaysia. Data of eight atmospheric parameters [air surface temperature (AST), carbon monoxide (CO), methane (CH4), water vapour (H2Ovapour), skin surface temperature (SSKT), atmosphere temperature (AT), relative humidity (RH), and mean surface pressure (MSP)] data set, retrieved from NASA's Atmospheric Infrared Sounder (AIRS), for the entire period (2003-2008) was employed to develop models to predict the value of columnar ozone (O3) in study area. The combined method, which is based on using both multiple regressions combined with principal component analysis (PCA) modelling, was used to predict columnar ozone. This combined approach was utilized to improve the prediction accuracy of columnar ozone. Separate analysis was carried out for north east monsoon (NEM) and south west monsoon (SWM) seasons. The O3 was negatively correlated with CH4, H2Ovapour, RH, and MSP, whereas it was positively correlated with CO, AST, SSKT, and AT during both the NEM and SWM season periods. Multiple regression analysis was used to fit the columnar ozone data using the atmospheric parameter's variables as predictors. A variable selection method based on high loading of varimax rotated principal components was used to acquire subsets of the predictor variables to be comprised in the linear regression model of the atmospheric parameter's variables. It was found that the increase in columnar O3 value is associated with an increase in the values of AST, SSKT, AT, and CO and with a drop in the levels of CH4, H2Ovapour, RH, and MSP. The result of fitting the best models for the columnar O3 value using eight of the independent variables gave about the same values of the R (≈0.93) and R2 (≈0.86) for both the NEM and SWM seasons. The common variables that appeared in both regression equations were SSKT, CH4 and RH, and the principal precursor of the columnar O3 value in both the NEM and SWM seasons was SSKT.

  8. Improving dual composition control in continuous distillation by a novel column design

    SciTech Connect

    Barolo, M.; Papini, C.A.

    2000-01-01

    How a novel design of continuous distillation columns may impact the performance of conventional controllers when it is required to accurately control the purity of both products in a binary separation is analyzed. The proposed column layout is characterized by the presence of a middle vessel, to which two streams are fed: the liquid flow coming from the rectifying section and the feed to be separated. The actual liquid flow to the column is determined by the middle-vessel level controller. For different control configurations and conventional proportional-integral control, it is shown that using a middle-vessel column provides a way to reduce the interaction between the composition loops, in such a way that the control performance of middle-vessel columns may be made remarkably superior to that of the conventional columns. The results obtained are supported by a theoretical analysis based on the frequency-dependent relative gain array tool.

  9. Density of intercalated graphite fibers

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Slabe, Melissa E.

    1990-01-01

    The density of Amoco P-55, P-75, P-100, and P-120 pitch-based graphite fibers and their intercalation compounds with bromine, iodine monochloride, and copper (II) chloride have been measured using a density gradient column. The distribution of densities within a fiber type is found to be a sensitive indicator of the quality of the intercalation reaction. In all cases the density was found to increase, indicating that the mass added to the graphite is dominant over fiber expansion. Density increases are small (less than 10 percent) giving credence to a model of the intercalated graphite fibers which have regions which are intercalated and regions which are not.

  10. Density of intercalated graphite fibers

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Slabe, Melissa E.

    1989-01-01

    The density of Amoco P-55, P-75, P-100, and P-120 pitch-based graphite fibers and their intercalation compounds with bromine, iodine monochloride, and copper (II) chloride have been measured using a density gradient column. The distribution of densities within a fiber type is found to be a sensitive indicator of the quality of the intercalation reaction. In all cases the density was found to increase, indicating that the mass added to the graphite is dominant over fiber expansion. Density increases are small (less than 10 percent) giving credence to a model of the intercalated graphite fibers which have regions which are intercalated and regions which are not.

  11. FRACTIONATING COLUMN PRODUCT COLLECTOR CONTROL

    DOEpatents

    Paxson, G.D. Jr.

    1964-03-10

    Means for detecting minute fluid products from a chemical separation column and for advancing a collector tube rack in order to automatically separate and collect successive fractionated products are described. A charge is imposed on the forming drops at the column orifice to create an electric field as the drop falls in the vicinity of a sensing plate. The field is detected by an electrometer tube coupled to the plate causing an output signal to actuate rotation of a collector turntable rack, thereby positioning new collectors under the orifice. The invention provides reliable automatic collection independent of drop size, rate of fall, or chemical composition. (AEC)

  12. Pulsed airborne lidar measurements of atmospheric CO2 column absorption

    NASA Astrophysics Data System (ADS)

    Abshire, James B.; Riris, Haris; Allan, Graham R.; Weaver, Clark J.; Mao, Jianping; Sun, Xiaoli; Hasselbrack, William E.; Kawa, S. Randoph; Biraud, Sebastien

    2010-11-01

    ABSTRACT We report initial measurements of atmospheric CO2 column density using a pulsed airborne lidar operating at 1572 nm. It uses a lidar measurement technique being developed at NASA Goddard Space Flight Center as a candidate for the CO2 measurement in the Active Sensing of CO2 Emissions over Nights, Days and Seasons (ASCENDS) space mission. The pulsed multiple-wavelength lidar approach offers several new capabilities with respect to passive spectrometer and other lidar techniques for high-precision CO2 column density measurements. We developed an airborne lidar using a fibre laser transmitter and photon counting detector, and conducted initial measurements of the CO2 column absorption during flights over Oklahoma in December 2008. The results show clear CO2 line shape and absorption signals. These follow the expected changes with aircraft altitude from 1.5 to 7.1 km, and are in good agreement with column number density estimates calculated from nearly coincident airborne in-situ measurements.

  13. Column Path Length Measurements Using a Multi-Frequency, Intensity-Modulated Continuous-Wave (IM-CW) Laser Absorption Spectrometer

    NASA Astrophysics Data System (ADS)

    Harrison, F. W.; Lin, B.; Browell, E. V.; Dobler, J.; McGregor, D.; Kooi, S. A.; Collins, J. E.

    2012-12-01

    Accurate understanding of carbon balance in the environment is critical to projections of the future evolution of the Earth's climate. As a result, the NRC Decadal Survey (DS) of Earth Science and Applications from Space identified Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) as a mid-term (Tier II) mission. The active space remote measurement of the column CO2 mixing ratio (XCO2) for the ASCENDS mission requires the simultaneous measurement of the CO2 and O2 number density and the column path length over which they are measured in order to derive the average XCO2 column. This paper presents methods for measuring the path lengths of the CO2 and O2 measurements that are inherent to the Multi-Functional Fiber Laser Lidar (MFLL), a laser absorption spectrometer (LAS) system under development for the ASCENDS mission. The MFLL is a multi-frequency intensity-modulated continuous-wave (IM-CW) LAS operating near 1.57 and 1.26 μm that uses a range-encoded modulation technique to minimize bias from thin clouds in the CO2 and O2 column measurements while simultaneously measuring the path length to the surface and to intervening cloud layers. This paper discusses the latest MFLL ground and flight test results. During these tests, range-encoded modulation techniques were demonstrated for path length measurements and the MFLL remote CO2 column measurements were evaluated against in situ CO2 measurements. This paper describes the encoding techniques employed, presents an approach for obtaining column path length measurements during CO2 retrievals, and presents the accuracy and precision of the technique. Measurement of path length meeting ASCENDS requirements of approximately 2-m precision were obtained in ground testing and demonstrated during flights over Railroad Valley, NV.

  14. Improvements in the DOAS Based Total Ozone Column Algorithm for OMI

    NASA Astrophysics Data System (ADS)

    de Haan, J. F.; Veefkind, J. P.; Valks, P.; Brinksma, E.; Levelt, P. F.

    2003-12-01

    The Ozone Monitoring Instrument is a nadir pointing imaging spectrometer with a wide swath (about 2600 km) that records reflected radiance spectra in the wavelength range 270-500 nm with a spectral resolution of about 0.5 nm. The high spatial resolution (13x24 km at nadir) makes it possible to obtain information on tropospheric ozone as problems due to (partly) cloudy pixels are reduced compared with instruments like GOME and SCIAMACHY. OMI is scheduled for launch early 2004 as part of the NASA EOS-Aura mission. To obtain accurate total ozone columns from OMI spectra an improved DOAS based algorithm is used as compared to the algorithm used in the operational processor for GOME and SCIAMACHY data. The following improvements have been implemented. First, the DOAS fit window is changed from 325-335 nm to 331.6 - 336.6 nm, making the retrieved columns less sensitive to the temperature and ozone profile. To further improve the accuracy we adopt a so-called empirical procedure to calculate air mass factors. In this procedure the DOAS method is applied to simulated spectra. These air mass factors are exact if the atmospheric model used in the calculations corresponds to the actual atmosphere. The third improvement is that the air mass factor is regarded as a function of the slant column density that results from the DOAS fit of a measured spectrum. These improvements have been implemented in the operational algorithm for OMI. We are currently investigating further improvements by handling rotational Raman scattering in a more advanced manner. In this poster presentation the improvements are discussed and some results based on GOME spectra will be presented.

  15. Mass transfer kinetics, band broadening and column efficiency.

    PubMed

    Gritti, Fabrice; Guiochon, Georges

    2012-01-20

    Important progress was recently made in our understanding of the physico-chemical aspects of mass transfer kinetics in chromatographic columns, in methods used for accurate determination of the different contributions to the height equivalent to a theoretical plate (HETP), and in the application of these advances to the elucidation of mass transfer mechanisms in columns packed with recent chromatographic supports (sub-2 μm fully porous particles, sub-3 μm core-shell particles, and monoliths). The independent contributions to the HETP are longitudinal diffusion, eddy dispersion, liquid-solid mass transfer (including trans-particle or trans-skeleton mass transfer and external film mass transfer), and the contributions caused by the thermal heterogeneity of the column. The origin and importance of these contributions are investigated in depth. This work underlines the areas in which improvements are needed, an understanding of the contribution of the external film mass transfer term, a better design of HPLC instruments providing a decrease of the extra-column band broadening contributions to the apparent HETP, the development of better packing procedures giving more radially homogeneous column beds, and new packing materials having a higher thermal conductivity to eliminate the nefarious impact of heat effects in very high pressure liquid chromatography (vHPLC) and supercritical fluid chromatography (SFC).

  16. Suspension of Drops of a Liquid in a Column of Water.

    ERIC Educational Resources Information Center

    Ahmad, Jamil

    1995-01-01

    Describes a demonstration which creates the illusion of violating Archimedes Principle. The procedure involves two liquids with identical densities and produces drops of one liquid suspended in the middle of a column of the second liquid. (DDR)

  17. A Flexible Moisture Content Probe for Unsaturated Soil Column Experiments

    SciTech Connect

    E. D. Mattson; K. E. Baker; C. D. Palmer; J. M Svoboda

    2006-05-01

    A commercially available soil moisture capacitance probe was modified by replacing rigid electrode traces with non-intrusive, flexible circuit board trace electrodes that can be attached to the interior of soil column walls. This new design minimizes soil packing difficulties and potential bias in flow pathways commonly associated with rigid probe installations in column experiments. Testing showed that the modified probe design provides reproducible output independent of sample bulk density. The electrical conductivity of the pore-water solution, however, affects the probe response. For cases where the specific conductance of the pore-water solution is constant, the probe can be calibrated. The flexible electrodes offer a simple means of minimizing sensor intrusion into laboratory soil columns while providing reproducible voltage output that is a function of moisture content.

  18. Saturated external kink instability of a laboratory plasma column

    NASA Astrophysics Data System (ADS)

    Sears, J.; Intrator, T. P.; Wurden, G.; Weber, T. E.; Daughton, W.; Klarenbeek, J.; Gao, K.

    2012-10-01

    A column of plasma generated in a longitudinal magnetic field in the Reconnection Scaling Experiment suffers from a catastrophic external kink instability when sufficient current density is driven along its length. At slightly lower current density but still above the Kruskal-Shafranov stability limit, we observe the amplitude of the kink to saturate at a, where a is the radius of the current distribution, and the column to gyrate at a steady rate for many periods. We evaluate how saturation of the kink mode is influenced by axial flow and shear therein, by rotation and Coriolis force, and by kinetic effects beyond the fluid regime. The plasma column of length l = 0.48 m has electron temperature Te = 10 eV and density ne = 1e19 m-3. The background axial field is B = 0.01 T, and the saturated steady state occurs for current I = 300 A. We measure the vector magnetic field and the plasma temperature and density in a cubic volume measuring 0.1 m on a side with resolution on the order of the electron skin depth. From these measurements we derive the flow. We present also results of a 2D numerical model simulated with the VPIC code. Study of the saturated kink mode in laboratory plasma may offer clues to the long lifetime of astrophysical jets.

  19. Beam Studies with Electron Columns

    SciTech Connect

    Shiltsev, V.; Valishev, A.; Kuznetsov, G.; Kamerdzhiev, V.; Romanov, A.; /Novosibirsk, IYF

    2009-04-01

    We report preliminary results of experimental studies of 'electron columns' in the Tevatron and in a specialized test setup. In the Tevatron, a beam of 150 GeV protons ionizes residual gas and ionization electrons are stored in an electrostatic trap immersed into strong longitudinal magnetic field. Shifts of proton betatron frequencies are observed. In the test setup, we observe effects pointing to accumulation and escape of ionization electrons.

  20. Profitable capitation requires accurate costing.

    PubMed

    West, D A; Hicks, L L; Balas, E A; West, T D

    1996-01-01

    In the name of costing accuracy, nurses are asked to track inventory use on per treatment basis when more significant costs, such as general overhead and nursing salaries, are usually allocated to patients or treatments on an average cost basis. Accurate treatment costing and financial viability require analysis of all resources actually consumed in treatment delivery, including nursing services and inventory. More precise costing information enables more profitable decisions as is demonstrated by comparing the ratio-of-cost-to-treatment method (aggregate costing) with alternative activity-based costing methods (ABC). Nurses must participate in this costing process to assure that capitation bids are based upon accurate costs rather than simple averages. PMID:8788799

  1. Differential column measurements using compact solar-tracking spectrometers

    NASA Astrophysics Data System (ADS)

    Chen, Jia; Viatte, Camille; Hedelius, Jacob K.; Jones, Taylor; Franklin, Jonathan E.; Parker, Harrison; Gottlieb, Elaine W.; Wennberg, Paul O.; Dubey, Manvendra K.; Wofsy, Steven C.

    2016-07-01

    We demonstrate the use of compact solar-tracking Fourier transform spectrometers (Bruker EM27/SUN) for differential measurements of the column-averaged dry-air mole fractions of CH4 and CO2 within urban areas. Using Allan variance analysis, we show that the differential column measurement has a precision of 0.01 % for XCO2 and XCH4 with an optimum integration time of 10 min, corresponding to Allan deviations of 0.04 ppm and 0.2 ppb, respectively. The sensor system is very stable over time and after relocation across the continent. We report tests of the differential column measurement, and its sensitivity to emission sources, by measuring the downwind-minus-upwind column difference ΔXCH4 across dairy farms in the Chino area, California, and using the data to verify emissions reported in the literature. Ratios of spatial column differences ΔXCH4/ΔXCO2 were observed across Pasadena within the Los Angeles basin, indicating values consistent with regional emission ratios from the literature. Our precise, rapid measurements allow us to determine significant short-term variations (5-10 min) of XCO2 and XCH4 and to show that they represent atmospheric phenomena.Overall, this study helps establish a range of new applications for compact solar-viewing Fourier transform spectrometers. By accurately measuring the small differences in integrated column amounts across local and regional sources, we directly observe the mass loading of the atmosphere due to the influence of emissions in the intervening locale. The inference of the source strength is much more direct than inversion modeling using only surface concentrations and less subject to errors associated with small-scale transport phenomena.

  2. Measurements of 3D slip velocities and plasma column lengths of a gliding arc discharge

    SciTech Connect

    Zhu, Jiajian; Gao, Jinlong; Ehn, Andreas; Aldén, Marcus; Li, Zhongshan E-mail: alpers@ma.tum.de; Moseev, Dmitry; Kusano, Yukihiro; Salewski, Mirko; Alpers, Andreas E-mail: alpers@ma.tum.de; Gritzmann, Peter; Schwenk, Martin

    2015-01-26

    A non-thermal gliding arc discharge was generated at atmospheric pressure in an air flow. The dynamics of the plasma column and tracer particles were recorded using two synchronized high-speed cameras. Whereas the data analysis for such systems has previously been performed in 2D (analyzing the single camera image), we provide here a 3D data analysis that includes 3D reconstructions of the plasma column and 3D particle tracking velocimetry based on discrete tomography methods. The 3D analysis, in particular, the determination of the 3D slip velocity between the plasma column and the gas flow, gives more realistic insight into the convection cooling process. Additionally, with the determination of the 3D slip velocity and the 3D length of the plasma column, we give more accurate estimates for the drag force, the electric field strength, the power per unit length, and the radius of the conducting zone of the plasma column.

  3. Temperature programmable microfabricated gas chromatography column

    DOEpatents

    Manginell, Ronald P.; Frye-Mason, Gregory C.

    2003-12-23

    A temperature programmable microfabricated gas chromatography column enables more efficient chemical separation of chemical analytes in a gas mixture by the integration of a resistive heating element and temperature sensing on the microfabricated column. Additionally, means are provided to thermally isolate the heated column from their surroundings. The small heat capacity and thermal isolation of the microfabricated column improves the thermal time response and power consumption, both important factors for portable microanalytical systems.

  4. NO2 column changes induced by volcanic eruptions

    NASA Technical Reports Server (NTRS)

    Johnston, Paul V.; Keys, J. Gordon; Mckenzie, Richard L.

    1994-01-01

    Nitrogen dioxide slant column amounts measured by ground-based remote sensing from Lauder, New Zealand (45 deg S) and Campbell Island (53 deg S) during the second half of 1991 and early 1992 show anomalously low values that are attributed to the effects of volcanic eruptions. It is believed that the eruptions of Mount Pinatubo in the Philippines in June 1991 and possibly Mount Hudson in Chile in August 1991 are responsible for the stratospheric changes, which first became apparent in July 1991. The effects in the spring of 1991 are manifested as a reduction in the retrieved NO2 column amounts from normal levels by 35 to 45 percent, and an accompanying increase in the overnight decay of NO2. The existence of an accurate long-term record of column NO2 from the Lauder site enables us to quantify departures from the normal seasonal behavior with some confidence. Simultaneous retrievals of column ozone agree well with Dobson measurements, confirming that only part of the NO2 changes can be attributed to a modification of the scattering geometry by volcanic aerosols. Other reasons for the observed behavior are explored, including the effects of stratospheric temperature increases resulting from the aerosol loading and the possible involvement of heterogeneous chemical processes.

  5. 29 CFR 1926.755 - Column anchorage.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...) General requirements for erection stability. (1) All columns shall be anchored by a minimum of 4 anchor rods (anchor bolts). (2) Each column anchor rod (anchor bolt) assembly, including the column-to-base... of anchor rods (anchor bolts). (1) Anchor rods (anchor bolts) shall not be repaired, replaced...

  6. 29 CFR 1926.755 - Column anchorage.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 29 Labor 8 2011-07-01 2011-07-01 false Column anchorage. 1926.755 Section 1926.755 Labor... (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Steel Erection § 1926.755 Column anchorage. (a) General requirements for erection stability. (1) All columns shall be anchored by a minimum of 4...

  7. Accurate documentation and wound measurement.

    PubMed

    Hampton, Sylvie

    This article, part 4 in a series on wound management, addresses the sometimes routine yet crucial task of documentation. Clear and accurate records of a wound enable its progress to be determined so the appropriate treatment can be applied. Thorough records mean any practitioner picking up a patient's notes will know when the wound was last checked, how it looked and what dressing and/or treatment was applied, ensuring continuity of care. Documenting every assessment also has legal implications, demonstrating due consideration and care of the patient and the rationale for any treatment carried out. Part 5 in the series discusses wound dressing characteristics and selection.

  8. Accurate basis set truncation for wavefunction embedding

    NASA Astrophysics Data System (ADS)

    Barnes, Taylor A.; Goodpaster, Jason D.; Manby, Frederick R.; Miller, Thomas F.

    2013-07-01

    Density functional theory (DFT) provides a formally exact framework for performing embedded subsystem electronic structure calculations, including DFT-in-DFT and wavefunction theory-in-DFT descriptions. In the interest of efficiency, it is desirable to truncate the atomic orbital basis set in which the subsystem calculation is performed, thus avoiding high-order scaling with respect to the size of the MO virtual space. In this study, we extend a recently introduced projection-based embedding method [F. R. Manby, M. Stella, J. D. Goodpaster, and T. F. Miller III, J. Chem. Theory Comput. 8, 2564 (2012)], 10.1021/ct300544e to allow for the systematic and accurate truncation of the embedded subsystem basis set. The approach is applied to both covalently and non-covalently bound test cases, including water clusters and polypeptide chains, and it is demonstrated that errors associated with basis set truncation are controllable to well within chemical accuracy. Furthermore, we show that this approach allows for switching between accurate projection-based embedding and DFT embedding with approximate kinetic energy (KE) functionals; in this sense, the approach provides a means of systematically improving upon the use of approximate KE functionals in DFT embedding.

  9. Accurate Stellar Parameters for Exoplanet Host Stars

    NASA Astrophysics Data System (ADS)

    Brewer, John Michael; Fischer, Debra; Basu, Sarbani; Valenti, Jeff A.

    2015-01-01

    A large impedement to our understanding of planet formation is obtaining a clear picture of planet radii and densities. Although determining precise ratios between planet and stellar host are relatively easy, determining accurate stellar parameters is still a difficult and costly undertaking. High resolution spectral analysis has traditionally yielded precise values for some stellar parameters but stars in common between catalogs from different authors or analyzed using different techniques often show offsets far in excess of their uncertainties. Most analyses now use some external constraint, when available, to break observed degeneracies between surface gravity, effective temperature, and metallicity which can otherwise lead to correlated errors in results. However, these external constraints are impossible to obtain for all stars and can require more costly observations than the initial high resolution spectra. We demonstrate that these discrepencies can be mitigated by use of a larger line list that has carefully tuned atomic line data. We use an iterative modeling technique that does not require external constraints. We compare the surface gravity obtained with our spectral synthesis modeling to asteroseismically determined values for 42 Kepler stars. Our analysis agrees well with only a 0.048 dex offset and an rms scatter of 0.05 dex. Such accurate stellar gravities can reduce the primary source of uncertainty in radii by almost an order of magnitude over unconstrained spectral analysis.

  10. Design of a Particle Shadowgraph Velocimetry and Size (PSVS) System to Determine Particle Size and Density Distributions (PSDD) in Hanford Nuclear Tank Wastes

    SciTech Connect

    Fountain, Matthew S.; Blanchard, Jeremy; Erikson, Rebecca L.; Kurath, Dean E.; Howe, Daniel T.; Adkins, Harold E.; Jenks, Jeromy WJ

    2012-01-10

    An accurate particle size and density distribution (PSDD) for nuclear tank wastes is an essential piece of information that helps determine the engineering requirements for a host of waste management unit operations including tank mixing, pipeline transport, and filtration. The existing approach has involved a laborious approach in which individual particles are identified using SEM/XRD methods and the density of these materials obtained from the technical literature. Further, some methods simply approximate individual particle densities by assuming chemical composition rather than actual measurements of particle density. A particle shadowgraph velocimetry and size (PSVS) system has been designed to obtain representative PSDDs for a broad range of Hanford tank waste materials existing as both individual particles and agglomerates. The PSVS utilizes optical hardware, a temperature controlled settling column, and particle introduction chamber to accurately and reproducibly obtain images of settling particles. Image analysis software then provides a highly accurate determination of both particle terminal velocity and equivalent spherical particle diameter. The particle/agglomerate density is then calculated from Newton’s terminal settling theory. The PSVS was designed to accurately image particle/agglomerate sizes between 10-1000µm and particle/agglomerate densities ranging from 1.4-11.5g/cm3 where the maximum terminal velocity does not exceed 20cm/s. Preliminary testing was completed and results were in good agreement with terminal settling theory. Recent results of this method development are presented, as well as experimental design, and future proposed work.

  11. SPR Hydrostatic Column Model Verification and Validation.

    SciTech Connect

    Bettin, Giorgia; Lord, David; Rudeen, David Keith

    2015-10-01

    A Hydrostatic Column Model (HCM) was developed to help differentiate between normal "tight" well behavior and small-leak behavior under nitrogen for testing the pressure integrity of crude oil storage wells at the U.S. Strategic Petroleum Reserve. This effort was motivated by steady, yet distinct, pressure behavior of a series of Big Hill caverns that have been placed under nitrogen for extended period of time. This report describes the HCM model, its functional requirements, the model structure and the verification and validation process. Different modes of operation are also described, which illustrate how the software can be used to model extended nitrogen monitoring and Mechanical Integrity Tests by predicting wellhead pressures along with nitrogen interface movements. Model verification has shown that the program runs correctly and it is implemented as intended. The cavern BH101 long term nitrogen test was used to validate the model which showed very good agreement with measured data. This supports the claim that the model is, in fact, capturing the relevant physical phenomena and can be used to make accurate predictions of both wellhead pressure and interface movements.

  12. Volcanoes in the Classroom: Simulating an Eruption Column

    NASA Astrophysics Data System (ADS)

    Harpp, K. S.; Geist, D. J.; Koleszar, A. M.

    2005-12-01

    Few students have the opportunity to witness volcanic eruptions first hand. Analog models of eruptive processes provide ways for students to apply basic physical principles when field observations are not feasible. We describe a safe simulation of violent volcanic explosions, one that can be carried out simply and easily as a demonstration for specialized volcanology classes, introductory classes, and science outreach programs. Volcanic eruptions are fundamentally gas-driven phenomena. Depressurization of volatiles dissolved in magma during ascent is the driving force behind most explosive eruptions. We have developed a demonstration whereby the instructor can initiate a gas-driven eruption, which produces a dramatic but safe explosion and eruptive column. First, one pours liquid nitrogen into a weighted, plastic soda bottle, which is then sealed and placed into a trashcan filled with water. As the liquid nitrogen boils, the pressure inside the bottle increases until the seal fails, resulting in an explosion. The expansive force propels a column of water vertically, to 10 or more meters. Students can operate the demonstration themselves and carry out a sequence of self-designed variations, changing the vent size and viscosity of the "magma", for instance. They can also vary the material used as "tephra", studying the effects of projectile density, column height, and wind direction on tephra distribution. The physical measurements that students collect, such as column height and tephra radius, can be used as the basis for problem sets that explore the dynamics of eruption columns. Possible calculations include ejection velocity, the pressure needed to propel the water column, and average vesicularity of the "magma". Students can then compare their results to observations from real volcanic eruptions. We find this to be an exceedingly effective demonstration of gas-driven liquid explosions and one that is safe if done properly. [NOTE: Please do NOT attempt this

  13. SPLASH: Accurate OH maser positions

    NASA Astrophysics Data System (ADS)

    Walsh, Andrew; Gomez, Jose F.; Jones, Paul; Cunningham, Maria; Green, James; Dawson, Joanne; Ellingsen, Simon; Breen, Shari; Imai, Hiroshi; Lowe, Vicki; Jones, Courtney

    2013-10-01

    The hydroxyl (OH) 18 cm lines are powerful and versatile probes of diffuse molecular gas, that may trace a largely unstudied component of the Galactic ISM. SPLASH (the Southern Parkes Large Area Survey in Hydroxyl) is a large, unbiased and fully-sampled survey of OH emission, absorption and masers in the Galactic Plane that will achieve sensitivities an order of magnitude better than previous work. In this proposal, we request ATCA time to follow up OH maser candidates. This will give us accurate (~10") positions of the masers, which can be compared to other maser positions from HOPS, MMB and MALT-45 and will provide full polarisation measurements towards a sample of OH masers that have not been observed in MAGMO.

  14. Accurate thickness measurement of graphene

    NASA Astrophysics Data System (ADS)

    Shearer, Cameron J.; Slattery, Ashley D.; Stapleton, Andrew J.; Shapter, Joseph G.; Gibson, Christopher T.

    2016-03-01

    Graphene has emerged as a material with a vast variety of applications. The electronic, optical and mechanical properties of graphene are strongly influenced by the number of layers present in a sample. As a result, the dimensional characterization of graphene films is crucial, especially with the continued development of new synthesis methods and applications. A number of techniques exist to determine the thickness of graphene films including optical contrast, Raman scattering and scanning probe microscopy techniques. Atomic force microscopy (AFM), in particular, is used extensively since it provides three-dimensional images that enable the measurement of the lateral dimensions of graphene films as well as the thickness, and by extension the number of layers present. However, in the literature AFM has proven to be inaccurate with a wide range of measured values for single layer graphene thickness reported (between 0.4 and 1.7 nm). This discrepancy has been attributed to tip-surface interactions, image feedback settings and surface chemistry. In this work, we use standard and carbon nanotube modified AFM probes and a relatively new AFM imaging mode known as PeakForce tapping mode to establish a protocol that will allow users to accurately determine the thickness of graphene films. In particular, the error in measuring the first layer is reduced from 0.1-1.3 nm to 0.1-0.3 nm. Furthermore, in the process we establish that the graphene-substrate adsorbate layer and imaging force, in particular the pressure the tip exerts on the surface, are crucial components in the accurate measurement of graphene using AFM. These findings can be applied to other 2D materials.

  15. Accurate thickness measurement of graphene.

    PubMed

    Shearer, Cameron J; Slattery, Ashley D; Stapleton, Andrew J; Shapter, Joseph G; Gibson, Christopher T

    2016-03-29

    Graphene has emerged as a material with a vast variety of applications. The electronic, optical and mechanical properties of graphene are strongly influenced by the number of layers present in a sample. As a result, the dimensional characterization of graphene films is crucial, especially with the continued development of new synthesis methods and applications. A number of techniques exist to determine the thickness of graphene films including optical contrast, Raman scattering and scanning probe microscopy techniques. Atomic force microscopy (AFM), in particular, is used extensively since it provides three-dimensional images that enable the measurement of the lateral dimensions of graphene films as well as the thickness, and by extension the number of layers present. However, in the literature AFM has proven to be inaccurate with a wide range of measured values for single layer graphene thickness reported (between 0.4 and 1.7 nm). This discrepancy has been attributed to tip-surface interactions, image feedback settings and surface chemistry. In this work, we use standard and carbon nanotube modified AFM probes and a relatively new AFM imaging mode known as PeakForce tapping mode to establish a protocol that will allow users to accurately determine the thickness of graphene films. In particular, the error in measuring the first layer is reduced from 0.1-1.3 nm to 0.1-0.3 nm. Furthermore, in the process we establish that the graphene-substrate adsorbate layer and imaging force, in particular the pressure the tip exerts on the surface, are crucial components in the accurate measurement of graphene using AFM. These findings can be applied to other 2D materials.

  16. How flatbed scanners upset accurate film dosimetry

    NASA Astrophysics Data System (ADS)

    van Battum, L. J.; Huizenga, H.; Verdaasdonk, R. M.; Heukelom, S.

    2016-01-01

    Film is an excellent dosimeter for verification of dose distributions due to its high spatial resolution. Irradiated film can be digitized with low-cost, transmission, flatbed scanners. However, a disadvantage is their lateral scan effect (LSE): a scanner readout change over its lateral scan axis. Although anisotropic light scattering was presented as the origin of the LSE, this paper presents an alternative cause. Hereto, LSE for two flatbed scanners (Epson 1680 Expression Pro and Epson 10000XL), and Gafchromic film (EBT, EBT2, EBT3) was investigated, focused on three effects: cross talk, optical path length and polarization. Cross talk was examined using triangular sheets of various optical densities. The optical path length effect was studied using absorptive and reflective neutral density filters with well-defined optical characteristics (OD range 0.2-2.0). Linear polarizer sheets were used to investigate light polarization on the CCD signal in absence and presence of (un)irradiated Gafchromic film. Film dose values ranged between 0.2 to 9 Gy, i.e. an optical density range between 0.25 to 1.1. Measurements were performed in the scanner’s transmission mode, with red-green-blue channels. LSE was found to depend on scanner construction and film type. Its magnitude depends on dose: for 9 Gy increasing up to 14% at maximum lateral position. Cross talk was only significant in high contrast regions, up to 2% for very small fields. The optical path length effect introduced by film on the scanner causes 3% for pixels in the extreme lateral position. Light polarization due to film and the scanner’s optical mirror system is the main contributor, different in magnitude for the red, green and blue channel. We concluded that any Gafchromic EBT type film scanned with a flatbed scanner will face these optical effects. Accurate dosimetry requires correction of LSE, therefore, determination of the LSE per color channel and dose delivered to the film.

  17. How flatbed scanners upset accurate film dosimetry.

    PubMed

    van Battum, L J; Huizenga, H; Verdaasdonk, R M; Heukelom, S

    2016-01-21

    Film is an excellent dosimeter for verification of dose distributions due to its high spatial resolution. Irradiated film can be digitized with low-cost, transmission, flatbed scanners. However, a disadvantage is their lateral scan effect (LSE): a scanner readout change over its lateral scan axis. Although anisotropic light scattering was presented as the origin of the LSE, this paper presents an alternative cause. Hereto, LSE for two flatbed scanners (Epson 1680 Expression Pro and Epson 10000XL), and Gafchromic film (EBT, EBT2, EBT3) was investigated, focused on three effects: cross talk, optical path length and polarization. Cross talk was examined using triangular sheets of various optical densities. The optical path length effect was studied using absorptive and reflective neutral density filters with well-defined optical characteristics (OD range 0.2-2.0). Linear polarizer sheets were used to investigate light polarization on the CCD signal in absence and presence of (un)irradiated Gafchromic film. Film dose values ranged between 0.2 to 9 Gy, i.e. an optical density range between 0.25 to 1.1. Measurements were performed in the scanner's transmission mode, with red-green-blue channels. LSE was found to depend on scanner construction and film type. Its magnitude depends on dose: for 9 Gy increasing up to 14% at maximum lateral position. Cross talk was only significant in high contrast regions, up to 2% for very small fields. The optical path length effect introduced by film on the scanner causes 3% for pixels in the extreme lateral position. Light polarization due to film and the scanner's optical mirror system is the main contributor, different in magnitude for the red, green and blue channel. We concluded that any Gafchromic EBT type film scanned with a flatbed scanner will face these optical effects. Accurate dosimetry requires correction of LSE, therefore, determination of the LSE per color channel and dose delivered to the film.

  18. Neutron diagnostics for pulsed high-density thermonuclear plasmas.

    PubMed

    Ekdahl, C A

    1979-08-01

    Time-resolved measurements of the neutron flux from the Scylla IV-P linear theta-pinch experiment have been made with scintillator-photomultiplier combinations. Calibration of the detectors is accomplished by a comparison of their time-integrated output with the total neutron yield measured using a foil-activation technique for which an accurate calibration has been established. The temperature of the Maxwellian ion velocity distribution that would produce the observed flux is obtained from the Maxwellian reactivity < sigmav >(DD) for D (d,n)He3 and measurements of the temporal evolution of the plasma column density and dimensions. This determination of the time history of the ion temperature is in good agreement with the plasma energy measured using other techniques.

  19. Oscillating water column structural model

    SciTech Connect

    Copeland, Guild; Bull, Diana L; Jepsen, Richard Alan; Gordon, Margaret Ellen

    2014-09-01

    An oscillating water column (OWC) wave energy converter is a structure with an opening to the ocean below the free surface, i.e. a structure with a moonpool. Two structural models for a non-axisymmetric terminator design OWC, the Backward Bent Duct Buoy (BBDB) are discussed in this report. The results of this structural model design study are intended to inform experiments and modeling underway in support of the U.S. Department of Energy (DOE) initiated Reference Model Project (RMP). A detailed design developed by Re Vision Consulting used stiffeners and girders to stabilize the structure against the hydrostatic loads experienced by a BBDB device. Additional support plates were added to this structure to account for loads arising from the mooring line attachment points. A simplified structure was designed in a modular fashion. This simplified design allows easy alterations to the buoyancy chambers and uncomplicated analysis of resulting changes in buoyancy.

  20. Scattering of electromagnetic waves from a magnetized plasma column at oblique incidence

    SciTech Connect

    Ghaffari-Oskooei, Sara S.; Aghamir, Farzin M.

    2015-07-14

    Scattering of electromagnetic waves from a magnetized plasma column is investigated using Maxwell's equations and applying boundary conditions. Backscattering cross section is evaluated by analytic solution of electric fields inside and outside of plasma column. Plots of backscattering cross section versus frequency, for the range up to J band, reveal two main peaks and two sidebands. Effects of plasma density and radius, as main parameters determining the characteristics of plasma column, on backscattering are discussed. Furthermore, the effect of electromagnetic wave incidence angle on backscattering of plasma column is included in the analysis. The influence of wave incidence angle and frequency, as well as, plasma density and radius on scattering pattern, which is an indicator of the distribution of scattered power in different azimuthal angles, is discussed.

  1. A NEW RECIPE FOR OBTAINING CENTRAL VOLUME DENSITIES OF PRESTELLAR CORES FROM SIZE MEASUREMENTS

    SciTech Connect

    Tassis, Konstantinos; Yorke, Harold W.

    2011-07-10

    We propose a simple analytical method for estimating the central volume density of prestellar molecular cloud cores from their column density profiles. Prestellar cores feature a flat central part of the column density and volume density profiles of the same size indicating the existence of a uniform-density inner region. The size of this region is set by the thermal pressure force which depends only on the central volume density and temperature of the core, and can provide a direct measurement of the central volume density. Thus, a simple length measurement can immediately yield a central density estimate independent of any dynamical model for the core and without the need for fitting. Using the radius at which the column density is 90% of the central value as an estimate of the size of the flat inner part of the column density profile yields an estimate of the central volume density within a factor of two for well-resolved cores.

  2. Algorithm for NO2 Vertical Column Retrieval from the Ozone Monitoring Instrument

    NASA Technical Reports Server (NTRS)

    Bucsela, Eric J.; Celarier, Edward A.; Wenig, Mark O.; Gleason, James F.; Veefkind, J. Pepijn; Boersma, K. Folkert; Brinksma, Ellen J.

    2006-01-01

    We describe the operational algorithm for the retrieval of stratospheric, tropospheric, and total column densities of nitrogen dioxide NO2 from earthshine radiances measured by the Ozone Monitoring Instrument (OMI), aboard the EOS-Aura satellite. The algorithm uses the DOAS method for the retrieval of slant column NO densities. Air mass factors (AMFs) calculated from a stratospheric NO2 profile are used to make initial estimates of the vertical column density. Using data collected over a 24-h period, a smooth estimate of the global stratospheric field is constructed. Where the initial vertical column densities exceed the estimated stratospheric field, we infer the presence of tropospheric NO2, and recalculate the vertical column density (VCD) using an AMF calculated from an assumed tropospheric NO2 profile. The parameters that control the operational algorithm were selected with the aid of a set of data assembled from stratospheric and tropospheric chemical transport models. We apply the optimized algorithm to OMI data and present global maps of NO2 VCDs for the first time.

  3. Characterization of polyacrylamide based monolithic columns.

    PubMed

    Plieva, Fatima M; Andersson, Jonatan; Galaev, Igor Yu; Mattiasson, Bo

    2004-07-01

    Supermacroporous monolithic polyacrylamide (pAAm)-based columns have been prepared by radical cryo-copolymerization (copolymerization in the moderately frozen system) of acrylamide with functional co-monomer, allyl glycidyl ether (AGE), and cross-linker N,N'-methylene-bis-acrylamide (MBAAm) directly in glass columns (ID 10 mm). The monolithic columns have uniform supermacroporous sponge-like structure with interconnected supermacropores of pore size 5-100 microm. The monoliths can be dried and stored in the dry state. High mechanical stability of the monoliths allowed sterilization by autoclaving. Column-to-column reproducibility of pAAm-monoliths was demonstrated on 5 monolithic columns from different batches prepared under the same cryostructuration conditions.

  4. Characterization of polyacrylamide based monolithic columns.

    PubMed

    Plieva, Fatima M; Andersson, Jonatan; Galaev, Igor Yu; Mattiasson, Bo

    2004-07-01

    Supermacroporous monolithic polyacrylamide (pAAm)-based columns have been prepared by radical cryo-copolymerization (copolymerization in the moderately frozen system) of acrylamide with functional co-monomer, allyl glycidyl ether (AGE), and cross-linker N,N'-methylene-bis-acrylamide (MBAAm) directly in glass columns (ID 10 mm). The monolithic columns have uniform supermacroporous sponge-like structure with interconnected supermacropores of pore size 5-100 microm. The monoliths can be dried and stored in the dry state. High mechanical stability of the monoliths allowed sterilization by autoclaving. Column-to-column reproducibility of pAAm-monoliths was demonstrated on 5 monolithic columns from different batches prepared under the same cryostructuration conditions. PMID:15354560

  5. REDISTRIBUTOR FOR LIQUID-LIQUID EXTRACTION COLUMNS

    DOEpatents

    Bradley, J.G.

    1957-10-29

    An improved baffle plate construction to intimately mix immiscible liquid solvents for solvent extraction processes in a liquid-liquid pulse column is described. To prevent the light and heavy liquids from forming separate continuous homogeneous vertical channels through sections of the column, a baffle having radially placed rectangular louvers with deflection plates opening upon alternate sides of the baffle is placed in the column, normal to the axis. This improvement substantially completely reduces strippiig losses due to poor mixing.

  6. Distillation of light hydrocarbons in packed columns

    SciTech Connect

    Strigle, R.F.

    1985-04-01

    Newly developed design procedures have led to a wider acceptance of packed columns for distillation operations, especially those operating at atmospheric or higher pressures. Based on these new design methods, modern IMTP packing has been used in a wide variety of services to revamp over 300 distillation columns previously equipped with trays. A few of these columns are listed. These revamps were justified by capacity increase and by greater product recovery. In addition, energy savings were realized from reduction of reflux ratio.

  7. Stabilizing a laboratory plasma column beyond the external kink limit

    NASA Astrophysics Data System (ADS)

    Sears, J.; Intrator, T.; Weber, T.; Daughton, W. S.; Klarenbeek, J.; Gao, K.

    2012-12-01

    Astrophysical jets emanating from galaxies appear to outlive the current driven kink instability that would be expected from their axial current and magnetic field. Study of a similar saturated kink mode in laboratory plasma may offer clues to the long lifetime of the astrophysical structures. A column of plasma generated in a longitudinal magnetic field in the Reconnection Scaling Experiment suffers from a catastrophic external kink instability when sufficient current density is driven along its length. At slightly lower current density but still above the Kruskal-Shafranov stability limit, we observe the amplitude of the kink to saturate at ≈ ph{a}, where ph{a} is the radius of the current distribution, and the column to gyrate at a steady rate for many periods. We evaluate how saturation of the kink mode is influenced by axial flow and shear therein, by rotation and Coriolis force, and by kinetic effects beyond the fluid regime. The plasma column of length l = 0.48 m has electron temperature Te = 10 eV and density ne = 1e19 m-3. The background axial field is B = 0.01 T, and the saturated steady state occurs for current I = 300 A. We measure the vector magnetic field and the plasma temperature and density in a cubic volume measuring 0.1 m on a side with resolution on the order of the electron skin depth. We present also results of a 2D numerical model simulated with the VPIC code. *Supported by DOE Office of Fusion Energy Sciences under LANS contract DE-AC52-06NA25369, NASA Geospace NNHIOA044I, Basic

  8. Interstitial gas effect on vibrated granular columns

    NASA Astrophysics Data System (ADS)

    Pastenes, Javier C.; Géminard, Jean-Christophe; Melo, Francisco

    2014-06-01

    Vibrated granular materials have been intensively used to investigate particle segregation, convection, and heaping. We report on the behavior of a column of heavy grains bouncing on an oscillating solid surface. Measurements indicate that, for weak effects of the interstitial gas, the temporal variations of the pressure at the base of the column are satisfactorily described by considering that the column, despite the observed dilation, behaves like a porous solid. In addition, direct observation of the column dynamics shows that the grains of the upper and lower surfaces are in free fall in the gravitational field and that the dilation is due to a small delay between their takeoff times.

  9. Sustenance of inhomogeneous electron temperature in a magnetized plasma column

    SciTech Connect

    Karkari, S. K. Mishra, S. K.; Kaw, P. K.

    2015-09-15

    This paper presents the equilibrium properties of a magnetized plasma column sustained by direct-current (dc) operated hollow cathode discharge in conjunction with a conducting end-plate, acting as the anode. The survey of radial plasma characteristics, performed in argon plasma, shows hotter plasma in the periphery as compared to the central plasma region; whereas the plasma density peaks at the center. The off-centered peak in radial temperature is attributed due to inhomogeneous power deposition in the discharge volume in conjunction with short-circuiting effect by the conducting end plate. A theoretical model based on particle flux and energy balance is given to explain the observed characteristics of the plasma column.

  10. Hydrodynamics of a packed countercurrent column for the gas extraction

    SciTech Connect

    Stockfleth, R.; Brunner, G.

    1999-10-01

    The hydraulic capacity of a countercurrent column with gauze packing was examined at pressures between 8 and 30 MPa and temperatures between 313 and 373 K. The systems used were water + carbon dioxide, aqueous surfactant solution + carbon dioxide, and Toco, a substance whose physical properties are roughly similar to those of {alpha}-Tocopherol + carbon dioxide. A distinctive change in the flooding mechanisms from liquid layer flooding to bubble column flooding was observed. The different liquids, water and Toco, showed the same flooding behavior, indicating that the influence of the density on the flooding behavior prevails over the influence of any other physical property of the liquid. The foamability of the surfactant solution decreased significantly with increasing pressure--its influence on the flooding behavior could not be proved. The liquid holdup ranged between 2% and 6%. The dry pressure drop adhered to the Ergun equation.

  11. Multigroup representation of fusion product orbits in a plasma column

    SciTech Connect

    Willenberg, H.J.

    1980-03-01

    A method is derived for describing the time-depending behavior of ..cap alpha.. particles produced in a radially nonuniform slender plasma column as a distribution function among the possible orbits. A multigroup numerical approximation is introduced to analyze the development of the distribution function and its moments. Results are presented of calculations of the time-dependent ..cap alpha..-particle energy spectrum and radial density, energy, and electron heating profiles in plasma columns with radii comparable to the ..cap alpha.. Larmor radius. This technique allows calculation of the ..cap alpha.. particle history at much more rapid rates than allowed by Monte Carlo technuques: The characteristic time scale is the ..cap alpha..-electron slowing-down time rather than the cyclotron period.

  12. [Rapid determination of propranolol enantiomers in rat plasma by column-switching-high performance liquid chromatography].

    PubMed

    Wu, Xiaoyu; Wang, Rong; Xie, Hua; Wang, Jianfeng; Jia, Zhengping; Zhang, Qiang; Wang, Xianhua

    2011-12-01

    A high performance liquid chromatographic (HPLC) method with column-switching was developed and validated for rapid determination of two propranolol enantiomers in rat plasma. The column of restricted-access media was used as a pre-treatment column and a Chiralcel OD-RH was used as analytical column. The plasma samples were injected directly into the pretreatment column to remove plasma protein and endogenous constituents as well as to retent the propranolol enantiomers in the column using the mobile phase of borate buffer (pH 8.5)-methanol (95:5, v/v) at the flow rate of 1.0 mL/min. Then the propranolol enantiomers were transferred to the Chiralcel OD-RH column using the mobile phase of isopropanol-ethanol-0.2 mmol/L borate buffer (pH 8.5) (30: 30: 40, v/v/v) at a flow rate of 0.8 mL/min by column-switching technology. The column-switching time was 3.0 min, the used wavelength was 293 nm and the column temperature was set at 25 degrees C. The calibration curve showed excellent linear relationship (r = 0.999 5) in the concentration range from 25 mg/L to 500 mg/L for propranolol enantiomers in plasma. The intra-day and inter-day assay precisions and accuracies were well and the relative standard deviations (RSDs) were less than 5%. The average recoveries (n = 6) of the two enantiomers at 3 spiked levels were from 97.89% to 101.56%. All the values of the method validation were within the generally accepted criteria for biological sample analysis. The results show that the method is convenient, quick, sensitive and accurate. The method was successfully applied in the determination of propranolol enantiomers in rat blood pharmacokinetics study.

  13. Must Kohn-Sham oscillator strengths be accurate at threshold?

    SciTech Connect

    Yang Zenghui; Burke, Kieron; Faassen, Meta van

    2009-09-21

    The exact ground-state Kohn-Sham (KS) potential for the helium atom is known from accurate wave function calculations of the ground-state density. The threshold for photoabsorption from this potential matches the physical system exactly. By carefully studying its absorption spectrum, we show the answer to the title question is no. To address this problem in detail, we generate a highly accurate simple fit of a two-electron spectrum near the threshold, and apply the method to both the experimental spectrum and that of the exact ground-state Kohn-Sham potential.

  14. Effect of column dimension on observed column efficiency in very high pressure liquid chromatography.

    PubMed

    Wu, Naijun; Bradley, Ashley C

    2012-10-26

    The effect of extra-column volume on observed linear velocity was investigated for columns of various internal diameters in very high pressure liquid chromatography. The results showed that the observed linear velocities were approximately 4.5, 9.5, 16.8, and 39.5% lower than the linear velocities corrected for the extra-column volume contribution for 4.6, 3.0, 2.1, and 1.0mm internal diameter columns, respectively. An empirical relationship between extra-column band broadening and extra-column volume was obtained using 50 cm long tubings of various internal diameters. The peak variance from the extra-column volume is near linearly proportional to the square of the extra-column volume for tubings with 0.0635-0.178 mm (0.025-0.07 in.) i.d. using a 50/50 acetonitrile/water mobile phase at flow rates greater than 0.3 mL/min. The effect of column internal diameter and column length on observed efficiency was studied using 50mm columns with four different column internal diameters and 2.1mm i.d columns with three different lengths. The results showed that the observed column efficiencies for 3.0, 2.1, and 1.0mm internal diameter columns were 18, 33, and 73% lower than that for a 4.6mm internal diameter column for benzophenone (k=5.5), respectively. An approximate 20% decrease in theoretical plate number was observed for propiophenone (k=3.3) using a 50 mm × 2.1 mm column packed with 1.7 μm particles compared to a 150 mm × 2.1 mm column packed with 5.0 μm particles, while the former column provided 9 fold faster separation. It is the column to extra column volume ratio instead of absolute extra-column volume that determines the degree of extra-column band-broadening in VHPLC.

  15. The Total Carbon Column Observing Network (TCCON): overview and update

    NASA Astrophysics Data System (ADS)

    Griffith, David; Wennberg, Paul; Notholt, Justus

    2014-05-01

    The Total Carbon Column Observing Network (TCCON) is a network of ground-based Fourier Transform Spectrometers that record direct solar absorption spectra of the atmosphere in the near-infrared. From these spectra, accurate and precise column-averaged abundances of atmospheric constituents including CO2, CH4, N2O, HF, CO, H2O, and HDO, are retrieved. TCCON measurements are linked to WMO calibration scales by comparisons with co-incident in situ profiles measured from aircraft. For CO2, TCCON achieves 1-sigma precision of typically 0.2 ppm for single measurements, and a network wide comparability of better than 0.1 In this paper we present an overview and the current status of the network, ongoing efforts to improve network coverage, precision and accuracy, and examples of TCCON data and their application. Further information about TCCON and a full list of sites and TCCON partners is available from the TCCON wiki, https://tccon-wiki.caltech.edu/ and Wunch et al. (2011). Wunch, D., G.C. Toon, J.-F. Blavier, R. Washenfelder, J. Notholt, B. Connor, D.W.T. Griffith and P.O. Wennberg, The Total Carbon Column Observing Network (TCCON). Philosophical Transactions of the Royal Society A 2011. 369: p. 2087-2112.

  16. Optimal operation of multivessel batch distillation columns

    SciTech Connect

    Furlonge, H.I.; Pantelides, C.C.; Soerensen, E.

    1999-04-01

    Increased interest in unconventional batch distillation column configurations offers new opportunities for increasing the flexibility and energy efficiency of batch distillation. One configuration of particular interest is the multivessel column, which can be viewed as a generalization of all previously studied batch column configurations. A detailed dynamic model was used for comparing various optimal operating policies for a batch distillation column with two intermediate vessels. A wide variety of degrees of freedom including reflux ratios, product withdrawal rates, heat input to the reboiler, and initial feed distribution were considered. A mixture consisting of methanol, ethanol, n-propanol and n-butanol was studied using an objective function relating to the economics of the column operation. Optimizing the initial distribution of the feed among the vessels improved column performance significantly. For some separations, withdrawing product from the vessels into accumulators was better than total reflux operation in terms of energy consumption. Open-loop optimal operation was also compared to a recently proposed feedback control strategy where the controller parameters are optimized. The energy consumption of a regular column was about twice that of a multivessel column having the same number of stages.

  17. Circulation in gas-slurry column reactors

    SciTech Connect

    Clark, N.; Kuhlman, J.; Celik, I.; Gross, R.; Nebiolo, E.; Wang, Yi-Zun.

    1990-08-15

    Circulation in bubble columns, such as those used in fischer-tropsch synthesis, detracts from their performance in that gas is carried on average more rapidly through the column, and the residence time distribution of the gas in the column is widened. Both of these factors influence mass-transfer operations in bubble columns. Circulation prediction and measurement has been undertaken using probes, one-dimensional models, laser Doppler velocimetry, and numerical modeling. Local void fraction was measured using resistance probes and a newly developed approach to determining air/water threshold voltage for the probe. A tall column of eight inch diameter was constructed of Plexiglas and the distributor plate was manufactured to distribute air evenly through the base of the column. Data were gathered throughout the volume at three different gas throughputs. Bubble velocities proved difficult to measure using twin probes with cross-correlation because of radial bubble movement. A series of three-dimensional mean and RMS bubble and liquid velocity measurements were also obtained for a turbulent flow in a laboratory model of a bubble column. These measurements have been made using a three-component laser Doppler velocimeter (LDV), to determine velocity distributions non-intrusively. Finally, the gas-liquid flow inside a vertically situated circular isothermal column reactor was simulated numerically. 74 refs., 170 figs., 5 tabs.

  18. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  19. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2013-07-01 2013-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  20. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2011-07-01 2011-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  1. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2014-07-01 2014-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  2. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2012-07-01 2012-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  3. Density Visualization

    ERIC Educational Resources Information Center

    Keiter, Richard L.; Puzey, Whitney L.; Blitz, Erin A.

    2006-01-01

    Metal rods of high purity for many elements are now commercially available and may be used to construct a display of relative densities. We have constructed a display with nine metal rods (Mg, Al, Ti, V, Fe, Cu, Ag, Pb, and W) of equal mass whose densities vary from 1.74 to 19.3 g cm[superscript -3]. The relative densities of the metals may be…

  4. Modeling of column apparatuses: A review

    SciTech Connect

    Doichinova, M. E-mail: petyabs@yahoo.com; Popova-Krumova, P. E-mail: petyabs@yahoo.com

    2013-12-18

    This paper presents a review of the modeling method on the base of the physical approximations of the mechanics of continua, which have been developed for processes in column apparatuses. This method includes diffusion type of model for modeling of mass transfer with chemical reaction in column apparatuses with and without circulation zones. The diffusion type of model is used for modeling of scale effect in column apparatuses too. The study concluded that the proposal method is possibility for investigation the influence of radial non uniformity of the velocity distribution on the process efficiency, influence of zones breadths on the mass transfer efficiency in the column. The method of the column apparatuses modeling can be used for modeling of physical and chemical absorption, chemical adsorption, homogeneous and heterogeneous (catalytic) chemical reactions, airlift reactors for chemical and photochemical reactions.

  5. Effect of the pressure on pre-column sample dispersion theory, experiments, and practical consequences.

    PubMed

    Gritti, Fabrice; Guiochon, Georges

    2014-07-25

    The effect of the pressure on the dispersion of a low molecular weight compound along 0.508 and 1.016 mm i.d. × 50 cm long open circular tubes was investigated theoretically and experimentally. The theoretical predictions were based on the early models of dispersion derived by Aris and Taylor (1953) and on the approximate model of Alizadeh for the time moments (1980). Experimentally, the system pressure was increased at constant flow rate (0.15 mL/min) from less than 20 to nearly 1,000 bar by using a series of capillary tubes (25 μm i.d. PEEKSIL tubes) of increasing flow resistances placed upstream the detection cell of a commercial very high pressure liquid chromatograph (vHPLC) but downstream the 50 cm long tube. Theoretical and experimental results agree that the peak variance increases linearly with increasing pressure in the tube volume. The relative increase of the peak variance is 7% above that measured at low pressure (<20 bar) for each 100 bar increment in the tube volume. This result confirms that accurate measurements of the column efficiency corrected for extra-column contribution cannot be made by replacing the column with a zero dead volume union connector, because the pressures applied in the pre-column volume are significantly different in these two cases. This work shows also that increasing the pressure in the pre-column volume by increasing the flow rate affects the apparent column efficiency that is measured, independently of the direct effect of the flow rate. For a 2.1 × 50mm column packed with 1.3 μm core-shell particles run with a classic Acquity system, the associated relative decreases of the column efficiency are expected to be -30%, -20%, and -5% for retention factors of 1, 3, and 10, respectively. The column HETP is no longer independent of its length.

  6. Highly efficient capillary columns packed with superficially porous particles via sequential column packing.

    PubMed

    Treadway, James W; Wyndham, Kevin D; Jorgenson, James W

    2015-11-27

    Highly efficient capillary columns packed with superficially porous particles were created for use in ultrahigh pressure liquid chromatography. Superficially porous particles around 1.5μm in diameter were packed into fused silica capillary columns with 30, 50, and 75μm internal diameters. To create the columns, several capillary columns were serially packed from the same slurry, with packing progress plots being generated to follow the packing of each column. Characterization of these columns using hydroquinone yielded calculated minimum reduced plate heights as low as 1.24 for the most efficient 30μm internal diameter column, corresponding to over 500,000plates/m. At least one highly efficient column (minimum reduced plate height less than 2) was created for all three of the investigated column inner diameters, with the smallest diameter columns having the highest efficiency. This study proves that highly efficient capillary columns can be created using superficially porous particles and shows the efficiency potential of these particles.

  7. Mechanical interactions of UIS support columns. [LMFBR

    SciTech Connect

    Kennedy, J.M.; Belytschko, T.B.

    1983-01-01

    Code development involving above-core structures (ACS) has recently focused on modeling the complexities of mechanical interactions in the ACS support columns which play a very important role in their behavior. These developments are directed toward two considerations: (1) the prediction of the forces exerted by the column in a hypothetical core-disruptive accident (HCDA) in order that the motion of the ACS can be predicted in a coupled fluid-structure analysis, (2) the calculation of the strains and deformations of the support columns so that situations which lead to complete failure can be identified. Finite element capabilities have been developed to handle various types of plant design for the analysis of coupled hydrodynamics and structural response. Beam elements, which previously represented the support columns were able to account for geometric nonlinearities and material nonlinearities, however, changes in the column cross section were not treated. Therefore, one of the aims of this study was to examine the effect of the change in cross section on the behavior of the support columns. A second effect which has been studied is the behavior of support columns consisting of two concentric cylinders.

  8. Applicability of soil column incubation experiments to measure CO2 efflux

    NASA Astrophysics Data System (ADS)

    Guo, Linlin; Nishimura, Taku; Imoto, Hiromi; Sun, Zhigang

    2015-10-01

    Accurate measurements of CO2 efflux from soils are essential to understand dynamic changes in soil carbon storage. Column incubation experiments are commonly used to study soil water and solute transport; however, the use of column incubation experiments to study soil CO2 efflux has seldom been reported. In this study, a 150-day greenhouse experiment with two treatments (no-tillage and tillage soils) was conducted to evaluate the applicability of soil column incubation experiments to study CO2 efflux. Both the chamber measurement and the gradient method were used, and results from the two methods were consistent: tillage increased soil cumulative CO2 efflux during the incubation period. Compared with fieldwork, incubation experiments can create or precisely control experimental conditions and thus have advantages for investigating the influence of climate factors or human activities on CO2 efflux. They are superior to bottle incubation because soil column experiments maintain a soil structure that is almost the same as that in the field, and thus can facilitate analyses on CO2 behaviour in the soil profile and more accurate evaluations of CO2 efflux. Although some improvements are still required for column incubation experiments, wider application of this method to study soil CO2 behaviour is expected.

  9. Neural network modeling of distillation columns

    SciTech Connect

    Baratti, R.; Vacca, G.; Servida, A.

    1995-06-01

    Neural network modeling (NNM) was implemented for monitoring and control applications on two actual distillation columns: the butane splitter tower and the gasoline stabilizer. The two distillation columns are in operation at the SARAS refinery. Results show that with proper implementation techniques NNM can significantly improve column operation. The common belief that neural networks can be used as black-box process models is not completely true. Effective implementation always requires a minimum degree of process knowledge to identify the relevant inputs to the net. After background and generalities on neural network modeling, the paper describes efforts on the development of neural networks for the two distillation units.

  10. An applicable method for efficiency estimation of operating tray distillation columns and its comparison with the methods utilized in HYSYS and Aspen Plus

    NASA Astrophysics Data System (ADS)

    Sadeghifar, Hamidreza

    2015-10-01

    Developing general methods that rely on column data for the efficiency estimation of operating (existing) distillation columns has been overlooked in the literature. Most of the available methods are based on empirical mass transfer and hydraulic relations correlated to laboratory data. Therefore, these methods may not be sufficiently accurate when applied to industrial columns. In this paper, an applicable and accurate method was developed for the efficiency estimation of distillation columns filled with trays. This method can calculate efficiency as well as mass and heat transfer coefficients without using any empirical mass transfer or hydraulic correlations and without the need to estimate operational or hydraulic parameters of the column. E.g., the method does not need to estimate tray interfacial area, which can be its most important advantage over all the available methods. The method can be used for the efficiency prediction of any trays in distillation columns. For the efficiency calculation, the method employs the column data and uses the true rates of the mass and heat transfers occurring inside the operating column. It is highly emphasized that estimating efficiency of an operating column has to be distinguished from that of a column being designed.

  11. Intrinsic advantages of packed capillaries over narrow-bore columns in very high-pressure gradient liquid chromatography.

    PubMed

    Gritti, Fabrice; McDonald, Thomas; Gilar, Martin

    2016-06-17

    250μm×100mm fused silica glass capillaries were packed with 1.8μm high-strength silica (HSS) fully porous particles. They were prepared without bulky stainless steel endfittings and metal frits, which both generate significant sample dispersion. The isocratic efficiencies and gradient peak capacities of these prototype capillary columns were measured for small molecules (n-alkanophenones) using a home-made ultra-low dispersive micro-HPLC instrument. Their resolution power was compared to that of standard 2.1mm×100mm very high-pressure liquid chromatography (vHPLC) narrow-bore columns packed with the same particles. The results show that, for the same column efficiency (25000 plates) and gradient steepness (0.04min(-1)), the peak capacity of the 250μm i.d. capillary columns is systematically 15-20% higher than that of the 2.1mm i.d. narrow-bore columns. A validated model of gradient chromatography enabled one to predict accurately the observed peak capacities of the capillary columns for non-linear solvation strength retention behavior and under isothermal conditions. Thermodynamics applied to the eluent quantified the temperature difference for the thermal gradients in both capillary and narrow-bore columns. Experimental data revealed that the gradient peak capacity is more affected by viscous heating than the column efficiency. Unlike across 2.1mm i.d. columns, the changes in eluent composition across the 250μm i.d. columns during the gradient is rapidly relaxed by transverse dispersion. The combination of (1) the absence of viscous heating and (2) the high uniformity of the eluent composition across the diameter of capillary columns explains the intrinsic advantage of capillary over narrow-bore columns in gradient vHPLC.

  12. Intrinsic advantages of packed capillaries over narrow-bore columns in very high-pressure gradient liquid chromatography.

    PubMed

    Gritti, Fabrice; McDonald, Thomas; Gilar, Martin

    2016-06-17

    250μm×100mm fused silica glass capillaries were packed with 1.8μm high-strength silica (HSS) fully porous particles. They were prepared without bulky stainless steel endfittings and metal frits, which both generate significant sample dispersion. The isocratic efficiencies and gradient peak capacities of these prototype capillary columns were measured for small molecules (n-alkanophenones) using a home-made ultra-low dispersive micro-HPLC instrument. Their resolution power was compared to that of standard 2.1mm×100mm very high-pressure liquid chromatography (vHPLC) narrow-bore columns packed with the same particles. The results show that, for the same column efficiency (25000 plates) and gradient steepness (0.04min(-1)), the peak capacity of the 250μm i.d. capillary columns is systematically 15-20% higher than that of the 2.1mm i.d. narrow-bore columns. A validated model of gradient chromatography enabled one to predict accurately the observed peak capacities of the capillary columns for non-linear solvation strength retention behavior and under isothermal conditions. Thermodynamics applied to the eluent quantified the temperature difference for the thermal gradients in both capillary and narrow-bore columns. Experimental data revealed that the gradient peak capacity is more affected by viscous heating than the column efficiency. Unlike across 2.1mm i.d. columns, the changes in eluent composition across the 250μm i.d. columns during the gradient is rapidly relaxed by transverse dispersion. The combination of (1) the absence of viscous heating and (2) the high uniformity of the eluent composition across the diameter of capillary columns explains the intrinsic advantage of capillary over narrow-bore columns in gradient vHPLC. PMID:27185055

  13. Column strength of tubes elastically restrained against rotation at the ends

    NASA Technical Reports Server (NTRS)

    Osgood, William R

    1938-01-01

    Report presents the results of a study made of the effects of known end restraint on commercially available round and streamline tubing of chromium-molybdenum steel, duralumin, stainless steel, and heat-treated chromium-molybdenum steel; and a more accurate method than any previously available, but still a practical method, was developed for designing compression members in riveted or welded structures, particularly aircraft. Two hundred specimens were tested as short, medium-length, and long columns with freely supported ends or elastically restrained ends. Tensile and compressive tests were made on each piece of original tubing from which column specimens were cut.

  14. Characterization of a post-column reaction-laser-induced fluorescence detector for capillary zone electrophoresis.

    PubMed

    Nickerson, B; Jorgenson, J W

    1989-10-20

    Several modifications have been made to a post-column labeling system for use with capillary zone electrophoresis. Fluorescence excitation is now performed with a helium-cadmium laser rather than an arc lamp. The focusability of the laser beam allows the use of larger diameter capillaries in the post-column reactor without the excessive band broadening observed previously. These larger capillaries can be assembled in the reactor much more easily. Another improvement is that the flow-rate of the labeling reagent can now be accurately controlled and determined. Incorporating these changes, the performances of two reactors with capillaries of the same dimensions are compared.

  15. PRTR ion exchange vault column sampling

    SciTech Connect

    Cornwell, B.C.

    1995-03-14

    This report documents ion exchange column sampling and Non Destructive Assay (NDA) results from activities in 1994, for the Plutonium Recycle Test Reactor (PRTR) ion exchange vault. The objective was to obtain sufficient information to prepare disposal documentation for the ion exchange columns found in the PRTR Ion exchange vault. This activity also allowed for the monitoring of the liquid level in the lower vault. The sampling activity contained five separate activities: (1) Sampling an ion exchange column and analyzing the ion exchange media for purpose of waste disposal; (2) Gamma and neutron NDA testing on ion exchange columns located in the upper vault; (3) Lower vault liquid level measurement; (4) Radiological survey of the upper vault; and (5) Secure the vault pending waste disposal.

  16. A Versatile, Automatic Chromatographic Column Packing Device

    ERIC Educational Resources Information Center

    Barry, Eugene F.; And Others

    1977-01-01

    Describes an inexpensive apparatus for packing liquid and gas chromatographic columns of high efficiency. Consists of stainless steel support struts, an Automat Getriebmotor, and an associated three-pulley system capable of 10, 30, and 300 rpm. (MLH)

  17. Fabrication of Graphite/Epoxy Column Elements

    NASA Technical Reports Server (NTRS)

    Bluck, R. M.; Grotbeck, G. H.; Reighard, W. M.

    1983-01-01

    Dimensionally precise columns wound on vertical mandrels. Dry fiber wound on tapered aluminum mandrel and outer sleeve. Winding and injection done at elevated temperature to minimize thermal-expansion problems during curing of resin. Technique used in textile industry.

  18. Axial laser heating of three meter theta pinch plasma columns

    NASA Astrophysics Data System (ADS)

    Hoffman, A. L.; Lowenthal, D. D.

    1980-10-01

    A 3-m long plasma column formed and confined by a fast rising solenoidal field was irradiated from one end by a powerful pulsed CO2 laser. It was found that beam trapping density minima could be maintained for the length of the laser pulse if the plasma diameter exceeded about 1.5 cm. The erosion of the density minimum was governed by classical diffusion processes. Three meter long plasmas in 2.6 cm bore plasma tubes could be fairly uniformly heated by 3.0 kJ of CO2 laser irradiation. Best results were obtained when heating began before or during the theta pinch implosion phase and the plasma fill pressure exceeded 1.0 torr H2. Plasma line energies of about 1 kJ/m could be obtained in a magnetic field rising to 6 T in 4.7 microseconds.

  19. Modeling Tropical Precipitation in a Single Column.

    NASA Astrophysics Data System (ADS)

    Sobel, Adam H.; Bretherton, Christopher S.

    2000-12-01

    A modified formulation of the traditional single column model for representing a limited area near the equator is proposed. This formulation can also be considered a two-column model in the limit as the area represented by one of the columns becomes very large compared to the other. Only a single column is explicitly modeled, but its free tropospheric temperature, rather than its mean vertical velocity, is prescribed. This allows the precipitation and vertical velocity to be true prognostic variables, as in prior analytical theories of tropical precipitation. Two models developed by other authors are modified according to the proposed formulation. The first is the intermediate atmospheric model of J. D. Neelin and N. Zeng, but with the horizontal connections between columns broken, rendering it a set of disconnected column models. The second is the column model of N. O. Rennó, K. A. Emanuel, and P. H. Stone. In the first model, the set of disconnected column models is run with a fixed temperature that is uniform in the Tropics, and insolation, SST, and surface wind speed taken from a control run of the original model. The column models produce a climatological precipitation field that is grossly similar to that of the control run, despite that the circulation implied by the column models is not required to conserve mass. The addition of horizontal moisture advection by the wind from the control run substantially improves the simulation in dry regions. In the second model the sensitivity of the modeled steady-state precipitation and relative humidity to varying SST and wind speed is examined. The transition from shallow to deep convection is simulated in a `Lagrangian' calculation in which the column model is subjected to an SST that increases in time. In this simulation, the onset of deep convection is delayed to a higher SST than in the steady-state case, due to the effect of horizontal moisture advection (viewed in a Lagrangian reference frame). In both of the

  20. Multisegment Kinematics of the Spinal Column: Soft Tissue Artifacts Assessment.

    PubMed

    Mahallati, Sara; Rouhani, Hossein; Preuss, Richard; Masani, Kei; Popovic, Milos R

    2016-07-01

    A major challenge in the assessment of intersegmental spinal column angles during trunk motion is the inherent error in recording the movement of bony anatomical landmarks caused by soft tissue artifacts (STAs). This study aims to perform an uncertainty analysis and estimate the typical errors induced by STA into the intersegmental angles of a multisegment spinal column model during trunk bending in different directions by modeling the relative displacement between skin-mounted markers and actual bony landmarks during trunk bending. First, we modeled the maximum displacement of markers relative to the bony landmarks with a multivariate Gaussian distribution. In order to estimate the distribution parameters, we measured these relative displacements on five subjects at maximum trunk bending posture. Then, in order to model the error depending on trunk bending angle, we assumed that the error grows linearly as a function of the bending angle. Second, we applied our error model to the trunk motion measurement of 11 subjects to estimate the corrected trajectories of the bony landmarks and investigate the errors induced into the intersegmental angles of a multisegment spinal column model. For this purpose, the trunk was modeled as a seven-segment rigid-body system described using 23 reflective markers placed on various bony landmarks of the spinal column. Eleven seated subjects performed trunk bending in five directions and the three-dimensional (3D) intersegmental angles during trunk bending were calculated before and after error correction. While STA minimally affected the intersegmental angles in the sagittal plane (<16%), it considerably corrupted the intersegmental angles in the coronal (error ranged from 59% to 551%) and transverse (up to 161%) planes. Therefore, we recommend using the proposed error suppression technique for STA-induced error compensation as a tool to achieve more accurate spinal column kinematics measurements. Particularly, for intersegmental

  1. Flow in a metal hydride chromatographic column

    SciTech Connect

    Nichols, G.S.

    1990-01-01

    The flow of hydrogen isotopes in a metal hydride chromatographic column is calculated by a one-dimensional finite difference method. The Ergun equation is used to define the gas flow; and equilibrium pressure isotherms are used to define the column holdup. Solid phase loadings are shown to move as a wave front on absorption, but remain more uniform on desorption. 3 refs., 4 figs.

  2. Commander prepares glass columns for electrophoresis experiment

    NASA Technical Reports Server (NTRS)

    1982-01-01

    Commander Jack Lousma prepares on of the glass columns for the electrophoresis test in the middeck area of the Columbia. The experiment, deployed in an L-shaped mode in upper right corner, consists of the processing unit with glass columns in which the separation takes place; a camera (partially obscurred by Lousma's face) to document the process; and a cryogenic freezer to freeze and store the samples after separation.

  3. Avoid problems during distillation column startups

    SciTech Connect

    Sloley, A.W.

    1996-07-01

    The startup of a distillation column is the end product of the design process. Indeed, startup is the culmination of the theory and practice of designing the column to meet the process objectives. The author will direct most of this discussion towards column revamps due to their inherent complexity; however, the points apply equally to new columns, as well. The most important question that must be answered prior to a startup is how will the distillation system changes affect initial startup, process control of the system, and normal day-to-day operations? How will the operators run the system? Steady-state distillation-column simulations alone cannot provide an authoritative answer and, indeed, engineers` over-reliance on software too often has led them to ignore many practical aspects. Computer modeling, while an important engineering tool, is not reality. Distillation columns are real functioning pieces of equipment that require practical skills to successfully modify. They are not steady-state solutions that result from converged computer simulations. Early planning, coupled with thorough inspections and comprehensive reviews of instrumentation and procedures, can play a key role in assuring smooth startups.

  4. Interpretation of the lime column penetration test

    NASA Astrophysics Data System (ADS)

    Liyanapathirana, D. S.; Kelly, R. B.

    2010-06-01

    Dry soil mix (DSM) columns are used to reduce the settlement and to improve the stability of embankments constructed on soft clays. During construction the shear strength of the columns needs to be confirmed for compliance with technical assumptions. A specialized blade shaped penetrometer known as the lime column probe, has been developed for testing DSM columns. This test can be carried out as a pull out resistance test (PORT) or a push in resistance test (PIRT). The test is considered to be more representative of average column shear strength than methods that test only a limited area of the column. Both PORT and PIRT tests require empirical correlations of measured resistance to an absolute measure of shear strength, in a similar manner to the cone penetration test. In this paper, finite element method is used to assess the probe factor, N, for the PORT test. Due to the large soil deformations around the probe, an Arbitrary Lagrangian Eulerian (ALE) based finite element formulation has been used. Variation of N with rigidity index and the friction at the probe-soil interface are investigated to establish a range for the probe factor.

  5. Gas Chromatograph Method Optimization Trade Study for RESOLVE: 20-meter Column v. 8-meter Column

    NASA Technical Reports Server (NTRS)

    Huz, Kateryna

    2014-01-01

    RESOLVE is the payload on a Class D mission, Resource Prospector, which will prospect for water and other volatile resources at a lunar pole. The RESOLVE payload's primary scientific purpose includes determining the presence of water on the moon in the lunar regolith. In order to detect the water, a gas chromatograph (GC) will be used in conjunction with a mass spectrometer (MS). The goal of the experiment was to compare two GC column lengths and recommend which would be best for RESOLVE's purposes. Throughout the experiment, an Inficon Fusion GC and an Inficon Micro GC 3000 were used. The Fusion had a 20m long column with 0.25mm internal diameter (Id). The Micro GC 3000 had an 8m long column with a 0.32mm Id. By varying the column temperature and column pressure while holding all other parameters constant, the ideal conditions for testing with each column length in their individual instrument configurations were determined. The criteria used for determining the optimal method parameters included (in no particular order) (1) quickest run time, (2) peak sharpness, and (3) peak separation. After testing numerous combinations of temperature and pressure, the parameters for each column length that resulted in the most optimal data given my three criteria were selected. The ideal temperature and pressure for the 20m column were 95 C and 50psig. At this temperature and pressure, the peaks were separated and the retention times were shorter compared to other combinations. The Inficon Micro GC 3000 operated better at lower temperature mainly due to the shorter 8m column. The optimal column temperature and pressure were 70 C and 30psig. The Inficon Micro GC 3000 8m column had worse separation than the Inficon Fusion 20m column, but was able to separate water within a shorter run time. Therefore, the most significant tradeoff between the two column lengths was peak separation of the sample versus run time. After performing several tests, it was concluded that better

  6. Innovative modeling of Tuned Liquid Column Damper motion

    NASA Astrophysics Data System (ADS)

    Di Matteo, A.; Lo Iacono, F.; Navarra, G.; Pirrotta, A.

    2015-06-01

    In this paper a new model for the liquid motion within a Tuned Liquid Column Damper (TLCD) device is developed, based on the mathematical tool of fractional calculus. Although the increasing use of these devices for structural vibration control, it is shown that existing model does not always lead to accurate prediction of the liquid motion. A better model is then needed for accurate simulation of the behavior of TLCD systems. As regards, it has been demonstrated how correctly including the first linear liquid sloshing mode, through the equivalent mechanical analogy well established in literature, produces numerical results that highly match the corresponding experimental ones. Since the apparent effect of sloshing is the deviation of the natural frequency from the theoretical one, the authors propose a fractional differential equation of motion. The latter choice is supported by the fact that the introduction a fractional derivative of order α alters simultaneously both the resonant frequency and the degree of damping of the system. It will be shown, through an extensive experimental analysis, how the proposed model accurately describes liquid surface displacements.

  7. The Computational Properties of a Simplified Cortical Column Model.

    PubMed

    Cain, Nicholas; Iyer, Ramakrishnan; Koch, Christof; Mihalas, Stefan

    2016-09-01

    The mammalian neocortex has a repetitious, laminar structure and performs functions integral to higher cognitive processes, including sensory perception, memory, and coordinated motor output. What computations does this circuitry subserve that link these unique structural elements to their function? Potjans and Diesmann (2014) parameterized a four-layer, two cell type (i.e. excitatory and inhibitory) model of a cortical column with homogeneous populations and cell type dependent connection probabilities. We implement a version of their model using a displacement integro-partial differential equation (DiPDE) population density model. This approach, exact in the limit of large homogeneous populations, provides a fast numerical method to solve equations describing the full probability density distribution of neuronal membrane potentials. It lends itself to quickly analyzing the mean response properties of population-scale firing rate dynamics. We use this strategy to examine the input-output relationship of the Potjans and Diesmann cortical column model to understand its computational properties. When inputs are constrained to jointly and equally target excitatory and inhibitory neurons, we find a large linear regime where the effect of a multi-layer input signal can be reduced to a linear combination of component signals. One of these, a simple subtractive operation, can act as an error signal passed between hierarchical processing stages. PMID:27617444

  8. The Computational Properties of a Simplified Cortical Column Model

    PubMed Central

    Iyer, Ramakrishnan; Koch, Christof; Mihalas, Stefan

    2016-01-01

    The mammalian neocortex has a repetitious, laminar structure and performs functions integral to higher cognitive processes, including sensory perception, memory, and coordinated motor output. What computations does this circuitry subserve that link these unique structural elements to their function? Potjans and Diesmann (2014) parameterized a four-layer, two cell type (i.e. excitatory and inhibitory) model of a cortical column with homogeneous populations and cell type dependent connection probabilities. We implement a version of their model using a displacement integro-partial differential equation (DiPDE) population density model. This approach, exact in the limit of large homogeneous populations, provides a fast numerical method to solve equations describing the full probability density distribution of neuronal membrane potentials. It lends itself to quickly analyzing the mean response properties of population-scale firing rate dynamics. We use this strategy to examine the input-output relationship of the Potjans and Diesmann cortical column model to understand its computational properties. When inputs are constrained to jointly and equally target excitatory and inhibitory neurons, we find a large linear regime where the effect of a multi-layer input signal can be reduced to a linear combination of component signals. One of these, a simple subtractive operation, can act as an error signal passed between hierarchical processing stages. PMID:27617444

  9. Low Bone Density

    MedlinePlus

    ... Density Exam/Testing › Low Bone Density Low Bone Density Low bone density is when your bone density ... people with normal bone density. Detecting Low Bone Density A bone density test will determine whether you ...

  10. Mass transfer model liquid phase catalytic exchange column simulation applicable to any column composition profile

    SciTech Connect

    Busigin, A.

    2015-03-15

    Liquid Phase Catalytic Exchange (LPCE) is a key technology used in water detritiation systems. Rigorous simulation of LPCE is complicated when a column may have both hydrogen and deuterium present in significant concentrations in different sections of the column. This paper presents a general mass transfer model for a homogenous packed bed LPCE column as a set of differential equations describing composition change, and equilibrium equations to define the mass transfer driving force within the column. The model is used to show the effect of deuterium buildup in the bottom of an LPCE column from non-negligible D atom fraction in the bottom feed gas to the column. These types of calculations are important in the design of CECE (Combined Electrolysis and Catalytic Exchange) water detritiation systems.

  11. Total Column NO2 from the OMI Instrument on EOS Aura

    NASA Astrophysics Data System (ADS)

    Brinksma, E. J.; Boersma, K. F.; Gleason, J. F.; Bucsela, E. J.; Celarier, E.; de Haan, J. F.; Veefkind, J. P.

    2003-04-01

    OMI-EOS is a Dutch-Finnish nadir pointing spaceborne imaging spectrometer that will fly on NASA's Aura Mission, which is part of the Earth Observation System (EOS). OMI measures the reflected solar radiation in the ultraviolet and visible spectrum between 270 and 500 nm, using two channels with a spectral resolution of about 0.5 nm. OMI data products include ozone columns and profiles, aerosols, clouds, surface UV irradiance, and the trace gases NO_2, SO_2, HCHO, BrO, and OClO. Total column NO_2 will be measured using data from the visible channel, range, 365 - 500 nm; resolution, 0.63 nm; sampling, 0.21 nm/pixel. The NO_2 algorithm will compute vertical column densities (VCD) from spectrally fitted NO_2 slant column densities (SCD). The method to determine NO_2 slant column densities is Differential Optical Absorption Spectroscopy (DOAS), which uses a linear decomposition of a measured Earth reflectance spectrum into its component spectra, including NO_2, O_3, O_2-O_2, H_2O, Ring and a third order polynomial. Calculation of the air mass factor in regions of enhanced tropospheric NO_2 will be accomplished by designating two components of the column density: an unpolluted component, which includes stratospheric and free tropospheric NO_2, and a polluted component, containing boundary layer NO_2. The two parts will be separated through spatial filtering of the geographic NO_2 field. Polluted NO_2 is assumed to show the greatest small-scale variation and will be isolated and corrected for air mass factor and temperature.

  12. SEPARATION OF OCTYLPHENOL POLYETHER ALCOHOLS SURFACTANTS BY CAPILLARY COLUMN SFC AND HPLC

    EPA Science Inventory

    Separation of nonionic octylphenol polyether alcohols (OPA) by supercritical fluid chromatography (SFC) and HPLC is described. Using a density programming and a 50-μm i.d. capillary column, a total of 18 group oligomers was separated. The effects of the operating parameters, such...

  13. Column Selection for Biomedical Analysis Supported by Column Classification Based on Four Test Parameters.

    PubMed

    Plenis, Alina; Rekowska, Natalia; Bączek, Tomasz

    2016-01-21

    This article focuses on correlating the column classification obtained from the method created at the Katholieke Universiteit Leuven (KUL), with the chromatographic resolution attained in biomedical separation. In the KUL system, each column is described with four parameters, which enables estimation of the FKUL value characterising similarity of those parameters to the selected reference stationary phase. Thus, a ranking list based on the FKUL value can be calculated for the chosen reference column, then correlated with the results of the column performance test. In this study, the column performance test was based on analysis of moclobemide and its two metabolites in human plasma by liquid chromatography (LC), using 18 columns. The comparative study was performed using traditional correlation of the FKUL values with the retention parameters of the analytes describing the column performance test. In order to deepen the comparative assessment of both data sets, factor analysis (FA) was also used. The obtained results indicated that the stationary phase classes, closely related according to the KUL method, yielded comparable separation for the target substances. Therefore, the column ranking system based on the FKUL-values could be considered supportive in the choice of the appropriate column for biomedical analysis.

  14. Column Selection for Biomedical Analysis Supported by Column Classification Based on Four Test Parameters

    PubMed Central

    Plenis, Alina; Rekowska, Natalia; Bączek, Tomasz

    2016-01-01

    This article focuses on correlating the column classification obtained from the method created at the Katholieke Universiteit Leuven (KUL), with the chromatographic resolution attained in biomedical separation. In the KUL system, each column is described with four parameters, which enables estimation of the FKUL value characterising similarity of those parameters to the selected reference stationary phase. Thus, a ranking list based on the FKUL value can be calculated for the chosen reference column, then correlated with the results of the column performance test. In this study, the column performance test was based on analysis of moclobemide and its two metabolites in human plasma by liquid chromatography (LC), using 18 columns. The comparative study was performed using traditional correlation of the FKUL values with the retention parameters of the analytes describing the column performance test. In order to deepen the comparative assessment of both data sets, factor analysis (FA) was also used. The obtained results indicated that the stationary phase classes, closely related according to the KUL method, yielded comparable separation for the target substances. Therefore, the column ranking system based on the FKUL-values could be considered supportive in the choice of the appropriate column for biomedical analysis. PMID:26805819

  15. Engineering Development of Slurry Bubble Column Reactor (SBCR) Technology

    SciTech Connect

    Puneet Gupta

    2002-07-31

    This report summarizes the procedures used and results obtained in determining radial gas holdup profiles, via gamma ray scanning, and in assessing liquid and gas mixing parameters, via radioactive liquid and gas tracers, during Fischer Tropsch synthesis. The objectives of the study were (i) to develop a procedure for detection of gas holdup radial profiles in operating reactors and (ii) to test the ability of the developed, previously described, engineering models to predict the observed liquid and gas mixing patterns. It was shown that the current scanning procedures were not precise enough to obtain an accurate estimate of the gas radial holdup profile and an improved protocol for future use was developed. The previously developed physically based model for liquid mixing was adapted to account for liquid withdrawal from the mid section of the column. The ability of our engineering mixing models for liquid and gas phase to predict both liquid and gas phase tracer response was established and illustrated.

  16. Accurate theoretical chemistry with coupled pair models.

    PubMed

    Neese, Frank; Hansen, Andreas; Wennmohs, Frank; Grimme, Stefan

    2009-05-19

    Quantum chemistry has found its way into the everyday work of many experimental chemists. Calculations can predict the outcome of chemical reactions, afford insight into reaction mechanisms, and be used to interpret structure and bonding in molecules. Thus, contemporary theory offers tremendous opportunities in experimental chemical research. However, even with present-day computers and algorithms, we cannot solve the many particle Schrodinger equation exactly; inevitably some error is introduced in approximating the solutions of this equation. Thus, the accuracy of quantum chemical calculations is of critical importance. The affordable accuracy depends on molecular size and particularly on the total number of atoms: for orientation, ethanol has 9 atoms, aspirin 21 atoms, morphine 40 atoms, sildenafil 63 atoms, paclitaxel 113 atoms, insulin nearly 800 atoms, and quaternary hemoglobin almost 12,000 atoms. Currently, molecules with up to approximately 10 atoms can be very accurately studied by coupled cluster (CC) theory, approximately 100 atoms with second-order Møller-Plesset perturbation theory (MP2), approximately 1000 atoms with density functional theory (DFT), and beyond that number with semiempirical quantum chemistry and force-field methods. The overwhelming majority of present-day calculations in the 100-atom range use DFT. Although these methods have been very successful in quantum chemistry, they do not offer a well-defined hierarchy of calculations that allows one to systematically converge to the correct answer. Recently a number of rather spectacular failures of DFT methods have been found-even for seemingly simple systems such as hydrocarbons, fueling renewed interest in wave function-based methods that incorporate the relevant physics of electron correlation in a more systematic way. Thus, it would be highly desirable to fill the gap between 10 and 100 atoms with highly correlated ab initio methods. We have found that one of the earliest (and now

  17. Post Column Derivatization Using Reaction Flow High Performance Liquid Chromatography Columns.

    PubMed

    Jones, Andrew; Pravadali-Cekic, Sercan; Hua, Stanley; Kocic, Danijela; Camenzuli, Michelle; Dennis, Gary; Shalliker, Andrew

    2016-04-26

    A protocol for the use of reaction flow high performance liquid chromatography columns for methods employing post column derivatization (PCD) is presented. A major difficulty in adapting PCD to modern HPLC systems and columns is the need for large volume reaction coils that enable reagent mixing and then the derivatization reaction to take place. This large post column dead volume leads to band broadening, which results in a loss of observed separation efficiency and indeed detection in sensitivity. In reaction flow post column derivatization (RF-PCD) the derivatization reagent(s) are pumped against the flow of mobile phase into either one or two of the outer ports of the reaction flow column where it is mixed with column effluent inside a frit housed within the column end fitting. This technique allows for more efficient mixing of the column effluent and derivatization reagent(s) meaning that the volume of the reaction loops can be minimized or even eliminated altogether. It has been found that RF-PCD methods perform better than conventional PCD methods in terms of observed separation efficiency and signal to noise ratio. A further advantage of RF-PCD techniques is the ability to monitor effluent coming from the central port in its underivatized state. RF-PCD has currently been trialed on a relatively small range of post column reactions, however, there is currently no reason to suggest that RF-PCD could not be adapted to any existing one or two component (as long as both reagents are added at the same time) post column derivatization reaction.

  18. Seismic Behavior and Force-Displacement Characterization of Neotype Column-Slab High Piers

    PubMed Central

    Zhou, YanQun; Zhang, YeZhi; Ye, MeiXin; Zhan, MengSi

    2014-01-01

    The seismic behavior and plasticity spreading of a neotype column-slab high pier are researched in this paper. Four scale model tests of a web slab with two boundary columns are carried out under cyclic inelastic lateral displacements simulating seismic response. The test results show that the neotype column-slab high pier has strong and stable bearing capacity, good ductility, and energy dissipation capacity. The experimental values pertaining to the spread of plasticity are derived. An approach for deriving the spread of plasticity analytically is deduced and applied to the four tests. This method accurately assesses a pier's spread of plasticity for most ductility levels. At nearly all ductility levels, the mean difference between analytical assessments of the spread of plasticity and results from 4 large-scale tests is 12% with a 9% coefficient of variation. PMID:24883420

  19. Analysis of stone-column reinforced foundations

    NASA Astrophysics Data System (ADS)

    Lee, J. S.; Pande, G. N.

    1998-12-01

    A numerical model is proposed to analyse elastic as well as elastoplastic behaviour of stone-column reinforced foundations. The stone-columns are assumed to be dispersed within the in situ soil and a homogenization technique is invoked to establish equivalent material properties for in situ soil and stone-column composite. The difficulties encountered in carrying out elastoplastic analyses of composite materials are overcome by adopting a separate yield function for each of the constituent materials and a sub-iteration procedure within an implicit backward Euler stress integration scheme. In the proposed procedure, equilibrium as well as kinematic conditions implied in the homogenization procedure are satisfied for both elastic as well as elastoplastic stress states.The proposed model is implemented in an axi-symmetric finite element code and numerical prediction is made for the behaviour of model circular footings resting on stone-column reinforced foundations. This prediction indicates good agreement with experimental observation. Finally, a new scheme in which the length of stone-column is variable is proposed and its behaviour is examined through a numerical example.

  20. Counterflow isotachophoresis in a monolithic column.

    PubMed

    Liu, Bingwen; Cong, Yongzheng; Ivory, Cornelius F

    2014-09-01

    This study describes stationary counterflow isotachophoresis (ITP) in a poly(acrylamide-co-N,N'-methylenebisacrylamide) monolithic column as a means for improving ITP processing capacity and reducing dispersion. The flow profile in the monolith was predicted using COMSOL's Brinkman Equation application mode, which revealed that the flow profile was mainly determined by monolith permeability. As monolith permeability decreases, the flow profile changes from a parabolic shape to a plug shape. An experimental monolithic column was prepared in a fused-silica capillary using an ultraviolet-initiated polymerization method. A monolithic column made from 8% (wt.) monomer was chosen for the stationary counterflow ITP experiments. Counterflow ITP in the monolithic column showed undistorted analyte zones with significantly reduced dispersion compared to the severe dispersion observed in an open capillary. Particularly, for r-phycoerythrin focused by counterflow ITP, its zone width in the monolithic column was only one-third that observed in an open capillary. These experiments demonstrate that stationary counterflow ITP in monoliths can be a robust and practical electrofocusing method.

  1. Reactive Transport Modeling of Microbially-Mediated Chromate Reduction in 1-D Soil Columns

    NASA Astrophysics Data System (ADS)

    Qiu, H.; Viamajala, S.; Alam, M. M.; Peyton, B. M.; Petersen, J. N.; Yonge, D. R.

    2002-12-01

    Cr(VI) reduction tests were performed with the well known metal reducing bacterium Shewanella oneidensis MR-1 in liquid phase batch reactors and continuous flow soil columns under anaerobic conditions. In the batch tests, the cultures were grown with fumarate as the terminal electron acceptor and lactate as the electron donor in a simulated groundwater medium to determine yield coefficients and specific growth rates. The bench-scale soil column experiments were carried out with MR-1 to test the hypothesis that the kinetic parameters obtained in batch studies, combined with microbial attachment /detachment processes, will accurately predict reactive transport of Cr(VI) during bacterial Cr(VI) reduction in a soil matrix. Cr(VI)-free simulated groundwater media containing fumarate as the limiting substrate and lactate was supplied to a 2.1cm (ID) x 15 cm soil column inoculated with MR-1 for a duration of 9 residence times to allow for biomass to build-up in the column. Thereafter the column was supplied with both Cr(VI) and substrate. The concentrations of effluent substrate, biomass and Cr(VI) were monitored on a periodic basis and attached biomass in the column was measured in the termination of each column test. A reactive transport model was developed in which 6 governing equations deal with Cr(VI) bioreaction, fumarate (as electron donor) consumption, aqueous biomass growth and transport, solid biomass detachment and attachment kinetics, aqueous and solid phase enzyme reaction and transport, respectively. The model incorporating the enzyme reaction kinetics for Cr(VI) reduction, Monod kinetic expressions for substrate depletion, nonlinear attachment and detachment kinetics for aqueous and solid phase microorganism concentration, was solved by a fully implicit, finite-difference procedure using RT3D (A Modular Computer Code for Reactive Multi-species Transport in 3-Dimensional Groundwater Systems) platform in one dimension. Cr(VI)-free column data was used to

  2. Density-based load estimation using two-dimensional finite element models: a parametric study.

    PubMed

    Bona, Max A; Martin, Larry D; Fischer, Kenneth J

    2006-08-01

    A parametric investigation was conducted to determine the effects on the load estimation method of varying: (1) the thickness of back-plates used in the two-dimensional finite element models of long bones, (2) the number of columns of nodes in the outer medial and lateral sections of the diaphysis to which the back-plate multipoint constraints are applied and (3) the region of bone used in the optimization procedure of the density-based load estimation technique. The study is performed using two-dimensional finite element models of the proximal femora of a chimpanzee, gorilla, lion and grizzly bear. It is shown that the density-based load estimation can be made more efficient and accurate by restricting the stimulus optimization region to the metaphysis/epiphysis. In addition, a simple method, based on the variation of diaphyseal cortical thickness, is developed for assigning the thickness to the back-plate. It is also shown that the number of columns of nodes used as multipoint constraints does not have a significant effect on the method. PMID:17132530

  3. Non-planar microfabricated gas chromatography column

    DOEpatents

    Lewis, Patrick R.; Wheeler, David R.

    2007-09-25

    A non-planar microfabricated gas chromatography column comprises a planar substrate having a plurality of through holes, a top lid and a bottom lid bonded to opposite surfaces of the planar substrate, and inlet and outlet ports for injection of a sample gas and elution of separated analytes. A plurality of such planar substrates can be aligned and stacked to provide a longer column length having a small footprint. Furthermore, two or more separate channels can enable multi-channel or multi-dimensional gas chromatography. The through holes preferably have a circular cross section and can be coated with a stationary phase material or packed with a porous packing material. Importantly, uniform stationary phase coatings can be obtained and band broadening can be minimized with the circular channels. A heating or cooling element can be disposed on at least one of the lids to enable temperature programming of the column.

  4. Methylmercury production in the marine water column

    NASA Astrophysics Data System (ADS)

    Topping, G.; Davies, I. M.

    1981-03-01

    Although the biosynthesis of methylmercury in sediments is well established1, this is not necessarily the exclusive natural source of methylmercury entering the marine food chain, particularly commercial fish and shellfish species for human consumption. An examination of mercury levels in freshwater fish2, collected from a lake with a history of industrial mercury contamination, suggested that levels in fish are controlled in part by mercury in suspension and it followed that methylation should occur in the water column. Although methylmercury is present in seawater in coastal areas receiving discharges of waste containing either inorganic mercury3 or methylmercury4 there is no evidence that methylmercury is actually formed in the water column. We now present data which demonstrate that inorganic mercury can be methylated in the water column and we compare this production with that known to occur in marine sediments.

  5. Neutron camera employing row and column summations

    DOEpatents

    Clonts, Lloyd G.; Diawara, Yacouba; Donahue, Jr, Cornelius; Montcalm, Christopher A.; Riedel, Richard A.; Visscher, Theodore

    2016-06-14

    For each photomultiplier tube in an Anger camera, an R.times.S array of preamplifiers is provided to detect electrons generated within the photomultiplier tube. The outputs of the preamplifiers are digitized to measure the magnitude of the signals from each preamplifier. For each photomultiplier tube, a corresponding summation circuitry including R row summation circuits and S column summation circuits numerically add the magnitudes of the signals from preamplifiers for each row and for each column to generate histograms. For a P.times.Q array of photomultiplier tubes, P.times.Q summation circuitries generate P.times.Q row histograms including R entries and P.times.Q column histograms including S entries. The total set of histograms include P.times.Q.times.(R+S) entries, which can be analyzed by a position calculation circuit to determine the locations of events (detection of a neutron).

  6. Cadmium removal in a biosorption column

    SciTech Connect

    Volesky, B.; Prasetyo, I. . Dept. of Chemical Engineering)

    1994-05-01

    New biosorbent material derived from a ubiquitous brown marine alga Ascophyllum nodosum has been examined in packed-bed flow-through sorption columns. It effectively removed 10 mg/L of cadmium down to 1.5 ppb levels in the effluent, representing 99.985% removal. The experimental methodology used was based on the early Bohart and Adams sorption model, resulting in quantitative determination of the characteristic process parameters which can be used for performance comparison and process design. An average metal loading of the biosorbent (N[sub 0]) determined was 30 mg Cd/g, corresponding closely to that observed for the batch equilibrium metal concentration of 10 mg Cd/L. The critical bed depth (D[sub min]) for the potable water effluent quality standard varied with the column feed flow rate from 20 to 50 cm. The sorption column mass transfer and dispersion coefficients were determined, which are also required for solving the sorption model equations.

  7. Mill profiler machines soft materials accurately

    NASA Technical Reports Server (NTRS)

    Rauschl, J. A.

    1966-01-01

    Mill profiler machines bevels, slots, and grooves in soft materials, such as styrofoam phenolic-filled cores, to any desired thickness. A single operator can accurately control cutting depths in contour or straight line work.

  8. Final Report, Distillation Column Flooding Predictor

    SciTech Connect

    George E. Dzyacky

    2003-05-31

    The Flooding Predictor is an advanced process control strategy comprising a patented pattern-recognition methodology that identifies pre-flood patterns discovered to precede flooding events in distillation columns. The grantee holds a U.S. patent on the modeling system. The technology was validated at the Separations Research Program, The University of Texas at Austin under a grant from the U. S. Department of Energy, Inventions & Innovation Program. Distillation tower flooding occurs at abnormally high vapor and/or liquid rates. The loss in tray efficiencies is attributed to unusual behavior of liquid inventories inside the column leading to conditions of flooding of the space in between trays with liquid. Depending on the severity of the flood condition, consequences range from off spec products to equipment damage and tower shutdown. This non-intrusive pattern recognition methodology, processes signal data obtained from existing column instrumentation. Once the pattern is identified empirically, it is modeled and coded into the plant's distributed control system. The control system is programmed to briefly "unload" the tower each time the pattern appears. The unloading takes the form of a momentary reduction in column severity, e.g., decrease bottom temperature, reflux or tower throughput. Unloading the tower briefly at the pre-flood state causes long-term column operation to become significantly more stable - allowing an increase in throughput and/or product purity. The technology provides a wide range of value between optimization and flooding. When a distillation column is not running at capacity, it should be run in such a way ("pushed") that optimal product purity is achieved. Additional benefits include low implementation and maintenance costs, and a high level of console operator acceptance. The previous commercial applications experienced 98% uptime over a four-year period. Further, the technology is unique in its ability to distinguish between different

  9. 29 CFR 1926.756 - Beams and columns.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 29 Labor 8 2011-07-01 2011-07-01 false Beams and columns. 1926.756 Section 1926.756 Labor... (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Steel Erection § 1926.756 Beams and columns. (a.... (c) (1) Double connections at columns and/or at beam webs over a column. When two structural...

  10. 29 CFR 1926.756 - Beams and columns.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 29 Labor 8 2013-07-01 2013-07-01 false Beams and columns. 1926.756 Section 1926.756 Labor... (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Steel Erection § 1926.756 Beams and columns. (a.... (c) (1) Double connections at columns and/or at beam webs over a column. When two structural...

  11. 29 CFR 1926.756 - Beams and columns.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 8 2012-07-01 2012-07-01 false Beams and columns. 1926.756 Section 1926.756 Labor... (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Steel Erection § 1926.756 Beams and columns. (a.... (c) (1) Double connections at columns and/or at beam webs over a column. When two structural...

  12. 29 CFR 1926.756 - Beams and columns.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 8 2010-07-01 2010-07-01 false Beams and columns. 1926.756 Section 1926.756 Labor... (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Steel Erection § 1926.756 Beams and columns. (a.... (c) (1) Double connections at columns and/or at beam webs over a column. When two structural...

  13. Simulation of robustness of a new e-beam column with the 3 rd-order imaging technique

    NASA Astrophysics Data System (ADS)

    Takeya, K.; Fuse, T.; Kinoshita, H.; Parker, N. William

    2008-03-01

    We are now investigating a new concept column with the 3 rd-order imaging technique, in order to obtain fine resolution and high current density beams for electron beam direct writing (EBDW) suitable for below 32nm technology nodes. From the first experimental verification, it is found that the 3 rd-order imaging has a benefit of increasing the beam current compared with conventional Gaussian beam without any beam blurring. However, in order to realize such a column which can work stably in the sub 32nm technology node generations, it is important to clarify how robust the 3 rd-order imaging is against the mechanical tolerances in column manufacturing. This paper describes the tolerance analysis for errors of column manufacturing by simulation. The column has an electron gun with small virtual source and two (Gun and Main) lenses. A patterned beam defining aperture, which enables the 3 rd-order imaging, is set between the 1 st and the 2 nd lenses. The influences of errors such as concentricity, offset and tilt between optical parts on the beam shape, beam current density distribution, and beam edge acuity on a wafer is analyzed for this column. According to these results, the 3 rd-order imaging appears to have sufficiently large allowance compared to the error budget for column manufacturing required in the sub 32nm technology node patterning.

  14. Consistent interpretation of ground based and GOME BrO slant column data

    NASA Astrophysics Data System (ADS)

    Mueller, R. W.; Bovensmann, H.; Kaiser, J. W.; Richter, A.; Rozanov, A.; Wittrock, F.; Burrows, J. P.

    Model computations of slant column densities (SCD) enable the comparison between ground based and satellite based absorption measurements of scattered light and are therefore a good basis to investigate the presence of tropospheric BrO amounts. In this study ground based zenith sky and GOME nadir measurements of BrO SCD are compared with simulations for the 19-21 March 1997 at Ny-Ålesund. The vertical columns of tropospheric BrO amounts are estimated to be in the range 4 ±0.8 ∗ 10 13 [molecules/cm 2] for the investigated period and location.

  15. Computational experience with a dense column feature for interior-point methods

    SciTech Connect

    Wenzel, M.; Czyzyk, J.; Wright, S.

    1997-08-01

    Most software that implements interior-point methods for linear programming formulates the linear algebra at each iteration as a system of normal equations. This approach can be extremely inefficient when the constraint matrix has dense columns, because the density of the normal equations matrix is much greater than the constraint matrix and the system is expensive to solve. In this report the authors describe a more efficient approach for this case, that involves handling the dense columns by using a Schur-complement method and conjugate gradient interaction. The authors report numerical results with the code PCx, into which the technique now has been incorporated.

  16. Sedimentation of granular columns in the viscous and weakly inertial regimes.

    PubMed

    Chraïbi, Hamza; Amarouchene, Yacine

    2013-10-01

    We investigate the dynamics of granular columns of point particles that interact via long-range hydrodynamic interactions and fall under the action of gravity. We investigate the influence of inertia using the Green's function for the Oseen equation. The initial conditions (density and aspect ratio) are systematically varied. Our results suggest that universal self-similar laws may be sufficient to characterize the temporal and structural evolution of the granular columns. A characteristic time above which an instability is triggered (which may enable the formation of clusters) is also retrieved and discussed. PMID:24229164

  17. Design desiderata for a laminar flow quadrupole-focused acceleration column

    SciTech Connect

    Maschke, A.W.

    1983-01-01

    The Pierce design acceleration column has been widely used to accelerate high current beams. It operates well in the space charge limited condition, and will produce beams with a temperature comparable with that of the source. It is restricted in current density, however, by the Child-Langmuir relation. If the ion source itself is not the limiting constraint, then the achievable current density is limited by the electric field at which sparking occurs. One sees clearly that the achievable current density decreases as one goes to higher voltages. This can be easily overcome by using electrostatic quadrupole focusing in the acceleration column. Now it can be shown that the space charge limited current density in a constant energy quadrupole transport channel is greater than that if one assumes that the electric fields on the quadrupoles can be as high in the ion source extraction electric fields. In practice, this is a conservative assumption. It follows that if the beam can be transported a large distance at the C-L current density limit, it can surely be accelerated as it goes from quadrupole to quadrupole. Hence, the necessity of having a high gradient acceleration column goes away.

  18. Direct computation of parameters for accurate polarizable force fields

    SciTech Connect

    Verstraelen, Toon Vandenbrande, Steven; Ayers, Paul W.

    2014-11-21

    We present an improved electronic linear response model to incorporate polarization and charge-transfer effects in polarizable force fields. This model is a generalization of the Atom-Condensed Kohn-Sham Density Functional Theory (DFT), approximated to second order (ACKS2): it can now be defined with any underlying variational theory (next to KS-DFT) and it can include atomic multipoles and off-center basis functions. Parameters in this model are computed efficiently as expectation values of an electronic wavefunction, obviating the need for their calibration, regularization, and manual tuning. In the limit of a complete density and potential basis set in the ACKS2 model, the linear response properties of the underlying theory for a given molecular geometry are reproduced exactly. A numerical validation with a test set of 110 molecules shows that very accurate models can already be obtained with fluctuating charges and dipoles. These features greatly facilitate the development of polarizable force fields.

  19. The Phase Coherence of Interstellar Density Fluctuations

    NASA Astrophysics Data System (ADS)

    Burkhart, Blakesley; Lazarian, A.

    2016-08-01

    Studies of MHD turbulence often investigate the Fourier power spectrum to provide information on the nature of the turbulence cascade. However, the Fourier power spectrum only contains the Fourier amplitudes and rejects all information regarding the Fourier phases. Here, we investigate the utility of two statistical diagnostics for recovering information on Fourier phases in ISM column density maps: the averaged amplitudes of the bispectrum and the phase coherence index (PCI), a new phase technique for the ISM. We create three-dimensional density and two-dimensional column density maps using a set of simulations of isothermal ideal MHD turbulence with a wide range of sonic and Alfvénic Mach numbers. We find that the bispectrum averaged along different angles with respect to either the k 1 or k 2 axis is primarily sensitive to the sonic Mach number while averaging the bispectral amplitudes over different annuli is sensitive to both the sonic and Alfvénic Mach numbers. The PCI of density suggests that the most correlated phases occur in supersonic sub-Alfvénic turbulence and near the shock scale. This suggests that nonlinear interactions with correlated phases are strongest in shock-dominated regions, in agreement with findings from the solar wind. Our results suggest that the phase information contained in the bispectrum and PCI can be used to find the turbulence parameters in column density maps.

  20. Systems for column-based separations, methods of forming packed columns, and methods of purifying sample components

    DOEpatents

    Egorov, Oleg B.; O'Hara, Matthew J.; Grate, Jay W.; Chandler, Darrell P.; Brockman, Fred J.; Bruckner-Lea, Cynthia J.

    2000-01-01

    The invention encompasses systems for column-based separations, methods of packing and unpacking columns and methods of separating components of samples. In one aspect, the invention includes a method of packing and unpacking a column chamber, comprising: a) packing a matrix material within a column chamber to form a packed column; and b) after the packing, unpacking the matrix material from the column chamber without moving the column chamber. In another aspect, the invention includes a system for column-based separations, comprising: a) a fluid passageway, the fluid passageway comprising a column chamber and a flow path in fluid communication with the column chamber, the flow path being obstructed by a retaining material permeable to a carrier fluid and impermeable to a column matrix material suspended in the carrier fluid, the flow path extending through the column chamber and through the retaining material, the flow path being configured to form a packed column within the column chamber when a suspension of the fluid and the column matrix material is flowed along the flow path; and b) the fluid passageway extending through a valve intermediate the column chamber and the retaining material.

  1. Systems For Column-Based Separations, Methods Of Forming Packed Columns, And Methods Of Purifying Sample Components.

    DOEpatents

    Egorov, Oleg B.; O'Hara, Matthew J.; Grate, Jay W.; Chandler, Darrell P.; Brockman, Fred J.; Bruckner-Lea, Cynthia J.

    2004-08-24

    The invention encompasses systems for column-based separations, methods of packing and unpacking columns and methods of separating components of samples. In one aspect, the invention includes a method of packing and unpacking a column chamber, comprising: a) packing a matrix material within a column chamber to form a packed column; and b) after the packing, unpacking the matrix material from the column chamber without moving the column chamber. In another aspect, the invention includes a system for column-based separations, comprising: a) a fluid passageway, the fluid passageway comprising a column chamber and a flow path in fluid communication with the column chamber, the flow path being obstructed by a retaining material permeable to a carrier fluid and impermeable to a column matrix material suspended in the carrier fluid, the flow path extending through the column chamber and through the retaining material, the flow path being configured to form a packed column within the column chamber when a suspension of the fluid and the column matrix material is flowed along the flow path; and b) the fluid passageway extending through a valve intermediate the column chamber and the retaining material.

  2. Systems For Column-Based Separations, Methods Of Forming Packed Columns, And Methods Of Purifying Sample Components

    DOEpatents

    Egorov, Oleg B.; O'Hara, Matthew J.; Grate, Jay W.; Chandler, Darrell P.; Brockman, Fred J.; Bruckner-Lea, Cynthia J.

    2006-02-21

    The invention encompasses systems for column-based separations, methods of packing and unpacking columns and methods of separating components of samples. In one aspect, the invention includes a method of packing and unpacking a column chamber, comprising: a) packing a matrix material within a column chamber to form a packed column; and b) after the packing, unpacking the matrix material from the column chamber without moving the column chamber. In another aspect, the invention includes a system for column-based separations, comprising: a) a fluid passageway, the fluid passageway comprising a column chamber and a flow path in fluid communication with the column chamber, the flow path being obstructed by a retaining material permeable to a carrier fluid and impermeable to a column matrix material suspended in the carrier fluid, the flow path extending through the column chamber and through the retaining material, the flow path being configured to form a packed column within the column chamber when a suspension of the fluid and the column matrix material is flowed along the flow path; and b) the fluid passageway extending through a valve intermediate the column chamber and the retaining material.

  3. Manual Microscale Column Chromatography Pressurization Apparatus

    NASA Astrophysics Data System (ADS)

    Baldwin, Bruce W.

    2003-10-01

    Pressurization of a Pasteur pipet for microscale chromatography is simplified by connecting a 20- or 30-mL syringe to the pipet using a length of Tygon tubing. This simple system allows the student to easily dry-pack a column using common chromatography packing materials. Results were uniformly good for introductory, organic, or upper-division research chemistry students.

  4. "Dry-column" chromatography of plant pigments

    NASA Technical Reports Server (NTRS)

    Woeller, F. H.; Lehwalt, M. F.; Oyama, V. I.

    1973-01-01

    Separation of plant pigments which can be accomplished on thin-layer silica plates with mixture of petroleum ether, halocarbon, acetone, and polar solvent can be readily translated into dry-column technique that yields reproducible chromatograms after elution in fashion of liquid chromatography with fluorimeter as detector. Best solvent system was found to be mixture of petroleum ether, dichloromethane, acetone, and ethyl acetate.

  5. On Row Rank Equal Column Rank

    ERIC Educational Resources Information Center

    Khalili, Parviz

    2009-01-01

    We will prove a well-known theorem in Linear Algebra, that is, for any "m x n" matrix the dimension of row space and column space are the same. The proof is based on the subject of "elementary matrices" and "reduced row-echelon" form of a matrix.

  6. Heat Integration in Batch Distillation Column

    NASA Astrophysics Data System (ADS)

    Maiti, Debadrita; Jana, Amiya K.; Samanta, Amar Nath

    2010-10-01

    A new heat integrated batch distillation column has been configured in this paper. Here the column and reboiler are connected in an annular arrangement and a compressor is positioned between them to maintain the pressure difference. The heat integration is between the rectifying batch column and one concentric reboiler. Ethanol-Water binary system is chosen as an example for the design and analysis of this heat integrated batch distillation column (HIBDiC). In this work, a sensitivity test for selecting the optimal value of the total number of trays and reboiler duty and a thermodynamic feasibility test for its design acceptability has been accomplished. The principal objective of this study is to investigate the influence of compression ratio (CR) on the energy consumption of distillation and to find out the optimal value of CR. Also a comparative analysis of HIBiDC on energy consumption in steady state as well as in dynamic state has been carried out on the basis of its conventional model. The proposed scheme is capable to save the energy up to 50.52% compared to its conventional one by selecting the CR of 1.4 as an optimal value.

  7. Improve distillation-column control design

    SciTech Connect

    Fruehauf, P.S.; Mahoney, D.P.

    1994-03-01

    Steady-state process models have long been used to assist the engineer in designing control strategies for distillation columns. Yet, a large number of industrial columns still operate in manual or with ineffectual controls. So, better control design techniques using steady-state models certainly are needed. In this article, the authors introduced an improved method that already has proven itself on 33 industrial columns. This article deals exclusively with the design of single-point composition controls. The vast majority of columns have one-sided composition specifications. With such specifications, a single-point composition control scheme can keep both top and bottom product compositions at or below limits for a wide range of disturbances. The predominance of one-sided specifications means that the main incentive for dual-point control schemes is achieving energy savings. In most cases, though, the energy savings are small and do not justify the added difficulty of implementing and maintaining dual-point control. Additionally, dual-point schemes often have significantly longer recoveries from upsets due to interactions between the control loops. The design procedure can be best thought of as a general approach rather than a single detailed procedure that covers all cases. The produce must be adapted to each problem because there are many different types of distillation and almost every industrial problem has some unique requirement.

  8. Contexts for Column Addition and Subtraction

    ERIC Educational Resources Information Center

    Lopez Fernandez, Jorge M.; Velazquez Estrella, Aileen

    2011-01-01

    In this article, the authors discuss their approach to column addition and subtraction algorithms. Adapting an original idea of Paul Cobb and Erna Yackel's from "A Contextual Investigation of Three-Digit Addition and Subtraction" related to packing and unpacking candy in a candy factory, the authors provided an analogous context by designing…

  9. Extendible column can be stowed on drum

    NASA Technical Reports Server (NTRS)

    Holtz, G. M.; Howard, E. A.

    1965-01-01

    Column formed from a series of segments held together by an internal spring or cable can be coiled on a drum or extended into a rigid structure. This storable coil is useful in boring for soil samples and supporting electrical and optical sensors.

  10. Inklings: Collected Columns on Leadership and Creativity.

    ERIC Educational Resources Information Center

    Campbell, David P.

    This book brings together 35 of David P. Campbell's essays originally published as a regular column in a quarterly publication called "Issues and Observations." The articles deal with topics ranging from leadership issues such as risk-taking, executive motivation, decision making, and corporate taboos, to more general concerns such as father-son…

  11. WATER COLUMN DATA AND SPECTRAL IRRADIANCE MODEL

    EPA Science Inventory

    Water samples collected monthly, for 18 months, from six sites in the Laguna Madre were analyzed to identify and quantify phytopigments using High Performance Liquid Chromatography (HPLC). In addition, water column pigment and nutrient data were acquired at 12 stations in Upper ...

  12. Column agglutination technology: the antiglobulin test.

    PubMed

    Reis, K J; Chachowski, R; Cupido, A; Davies, D; Jakway, J; Setcavage, T M

    1993-08-01

    A new system for typing and screening blood, based on the sieving effect of glass bead microparticles, has been developed. The test is performed in a microcolumn in which the red cell agglutinates are trapped in the glass bead matrix during centrifugation, and unagglutinated cells form a pellet at the bottom of the column. Anti-human globulin reagents were incorporated in the diluent and the new test system, column agglutination technology, was compared to conventional tube tests and low-ionic-strength method. Sera and plasmas (228 samples) were screened for red cell antibodies with two anti-human globulin reagents: one containing only anti-IgG and the other containing both anti-IgG and anti-C3b, -C3d. After initial testing, there was 94-percent agreement between column agglutination technology and tube tests, and after repeat testing, there was 97-percent agreement. The column agglutination technology anti-human globulin test eliminates the need to wash red cells, which decreases the overall test time. The test is easy to perform, and the results are more objective than those with tube and microplate methods.

  13. A purge-and-trap capillary column gas chromatographic method for the measurement of halocarbons in water and air

    SciTech Connect

    Happell, J.D.; Wallace, D.W.R.; Wills, K.D.; Wilke, R.J.; Neill, C.C.

    1996-06-01

    This report describes an automated, accurate, precise and sensitive capillary column purge- and -trap method capable of quantifying CFC-12, CFC-11, CFC-113, CH{sub 3}CCL{sub 3}, and CCL{sub 4} during a single chromatographic analysis in either water or gas phase samples.

  14. DNAPL transport through macroporous, clayey till columns

    SciTech Connect

    Joergensen, P.R. |; Broholm, K.; Sonnenborg, T.O.; Arvin, E.

    1998-07-01

    This paper provides the first experimental determination of the rates and distribution of transport of a dense, nonaqueous phase liquid (DNAPL) through a naturally bioporous and fractured clayey till deposit. Until now, assessment of DNAPL behavior in this type of deposit has relied on theoretical studies. Predictions of DNAPL transport have proven to be uncertain as a result of difficulties in measuring critical parameters such as DNAPL entry pressure and flow behavior in response to natural fracture/biopore apertures and the degree of interconnection of these structures. In the present investigation, the migration of free product trichloroethylene (TCE) was studied by means of two undisturbed clayey till columns under in situ effective soil stress conditions. The experiments revealed that transport of TCE was restricted to biopores in one column and fractures in another column, bypassing the low-permeability clayey matrix. Effective porosities of the columns, i.e., biopores and fractures, were two to three orders of magnitude lower than total porosities, i.e., macropores and matrix. Single phase water flow rates through the columns at water-saturated conditions followed a linear relationship with hydraulic gradient. TCE flow could not be predicted from the single-phase calculations because of nonlinearity observed between applied TCE injection heads and resulting TCE flow. TCE flow rates were 24 and 10.3 m/day at TCE gradients of 1.18 and 0.91, respectively. The observed flow rates indicate that in cases where vertical biopores or fractures fully penetrate clayey till aquitards, a low-viscosity DNAPL may quickly enter underlying aquifers. The experiments further indicate that 100 liters of a low-viscosity DNAPL are sufficient to contaminate approximately 25 to 100 m{sup 3} of till material because of the small effective porosity constituted by the biopores and fractures.

  15. Pulsed Airborne Lidar Measurements of C02 Column Absorption

    NASA Technical Reports Server (NTRS)

    Abshire, James B.; Riris, Haris; Allan, Graham R.; Weaver, Clark J.; Mao, Jianping; Sun, Xiaoli; Hasselbrack, William E.; Rodriquez, Michael; Browell, Edward V.

    2011-01-01

    We report on airborne lidar measurements of atmospheric CO2 column density for an approach being developed as a candidate for NASA's ASCENDS mission. It uses a pulsed dual-wavelength lidar measurement based on the integrated path differential absorption (IPDA) technique. We demonstrated the approach using the CO2 measurement from aircraft in July and August 2009 over four locations. The results show clear CO2 line shape and absorption signals, which follow the expected changes with aircraft altitude from 3 to 13 km. The 2009 measurements have been analyzed in detail and the results show approx.1 ppm random errors for 8-10 km altitudes and approx.30 sec averaging times. Airborne measurements were also made in 2010 with stronger signals and initial analysis shows approx. 0.3 ppm random errors for 80 sec averaging times for measurements at altitudes> 6 km.

  16. Accurate Runout Measurement for HDD Spinning Motors and Disks

    NASA Astrophysics Data System (ADS)

    Jiang, Quan; Bi, Chao; Lin, Song

    As hard disk drive (HDD) areal density increases, its track width becomes smaller and smaller and so is non-repeatable runout. HDD industry needs more accurate and better resolution runout measurements of spinning spindle motors and media platters in both axial and radial directions. This paper introduces a new system how to precisely measure the runout of HDD spinning disks and motors through synchronously acquiring the rotor position signal and the displacements in axial or radial directions. In order to minimize the synchronizing error between the rotor position and the displacement signal, a high resolution counter is adopted instead of the conventional phase-lock loop method. With Laser Doppler Vibrometer and proper signal processing, the proposed runout system can precisely measure the runout of the HDD spinning disks and motors with 1 nm resolution and 0.2% accuracy with a proper sampling rate. It can provide an effective and accurate means to measure the runout of high areal density HDDs, in particular the next generation HDDs, such as, pattern media HDDs and HAMR HDDs.

  17. High performance liquid chromatography column packings with deliberately broadened particle size distribution: relation between column performance and packing structure.

    PubMed

    Liekens, Anuschka; Billen, Jeroen; Sherant, Ron; Ritchie, Harald; Denayer, Joeri; Desmet, Gert

    2011-09-23

    The effect of the addition of 25%, 50% and 75% (weight percent, wt%) of larger particles (resp. 3 and 5 μm) to a commercial batch of 1.9 μm particles has been investigated as an academic exercise to study the effects of particle size distribution on the kinetic performance of packed bed columns in a magnified way. Comparing the performance of the different mixtures in a kinetic plot, it could be irrefutably shown that the addition of larger particles to a commercial batch of small particles cannot be expected to lead to an improved kinetic performance. Whereas the addition of 25 wt% of larger particles still only has a minor negative effect, a significantly deteriorated performance is obtained when 50 or 75 wt% of larger particles are added. In this case, separation impedance number increases up to 200% were observed. Studying the packing structure through computational packing simulations, together with the experimental determination of the external porosity, helped in understanding the obtained results. This showed that small particles tend to settle in the flow-through pores surrounding the larger particles, leading to very high packing densities (external porosities as low as 32% were observed) and also negatively influencing the column permeability as well as the band broadening (because of the broadened flow-through pore size range).

  18. Modified chemiluminescent NO analyzer accurately measures NOX

    NASA Technical Reports Server (NTRS)

    Summers, R. L.

    1978-01-01

    Installation of molybdenum nitric oxide (NO)-to-higher oxides of nitrogen (NOx) converter in chemiluminescent gas analyzer and use of air purge allow accurate measurements of NOx in exhaust gases containing as much as thirty percent carbon monoxide (CO). Measurements using conventional analyzer are highly inaccurate for NOx if as little as five percent CO is present. In modified analyzer, molybdenum has high tolerance to CO, and air purge substantially quenches NOx destruction. In test, modified chemiluminescent analyzer accurately measured NO and NOx concentrations for over 4 months with no denegration in performance.

  19. Electron Density in Atmospheric Pressure Microwave Surface Wave Discharges

    NASA Astrophysics Data System (ADS)

    Jasinski, M.; Zakrzewski, Z.; Mizeraczyk, J.

    2008-03-01

    In this paper, we present results of the spectroscopic measurements of the electron density in a microwave surface wave sustained discharges in Ar and Ne at atmospheric pressure. The discharge in the form of a plasma column was generated inside a quartz tube cooled with a dielectric liquid. The microwave power delivered to the discharge via rectangular waveguide was applied in the range of 200-1500 W. In all investigations presented in this paper, the gas flow rate was relatively low (0.5 l/min), so the plasma column was generated in the form of a single filament, and the lengths of the upstream and downstream plasma columns were almost the same. The electron density in the plasma columns was determined using the method based on the Stark broadening of Hβ spectral line, including plasma region inside the waveguide which was not investigated earlier.

  20. Electron Density in Atmospheric Pressure Microwave Surface Wave Discharges

    SciTech Connect

    Jasinski, M.; Zakrzewski, Z.; Mizeraczyk, J.

    2008-03-19

    In this paper, we present results of the spectroscopic measurements of the electron density in a microwave surface wave sustained discharges in Ar and Ne at atmospheric pressure. The discharge in the form of a plasma column was generated inside a quartz tube cooled with a dielectric liquid. The microwave power delivered to the discharge via rectangular waveguide was applied in the range of 200-1500 W. In all investigations presented in this paper, the gas flow rate was relatively low (0.5 l/min), so the plasma column was generated in the form of a single filament, and the lengths of the upstream and downstream plasma columns were almost the same. The electron density in the plasma columns was determined using the method based on the Stark broadening of H{sub {beta}} spectral line, including plasma region inside the waveguide which was not investigated earlier.

  1. Can Appraisers Rate Work Performance Accurately?

    ERIC Educational Resources Information Center

    Hedge, Jerry W.; Laue, Frances J.

    The ability of individuals to make accurate judgments about others is examined and literature on this subject is reviewed. A wide variety of situational factors affects the appraisal of performance. It is generally accepted that the purpose of the appraisal influences the accuracy of the appraiser. The instrumentation, or tools, available to the…

  2. Accurate pointing of tungsten welding electrodes

    NASA Technical Reports Server (NTRS)

    Ziegelmeier, P.

    1971-01-01

    Thoriated-tungsten is pointed accurately and quickly by using sodium nitrite. Point produced is smooth and no effort is necessary to hold the tungsten rod concentric. The chemically produced point can be used several times longer than ground points. This method reduces time and cost of preparing tungsten electrodes.

  3. How to select equivalent and complimentary reversed phase liquid chromatography columns from column characterization databases.

    PubMed

    Borges, Endler M

    2014-01-01

    Three RP-LC column characterization protocols [Tanaka et al. (1989), Snyder et al. (PQRI, 2002), and NIST SRM 870 (2000)] were evaluated using both Euclidian distance and Principal Components Analysis to evaluate effectiveness at identifying equivalent columns. These databases utilize specific chromatographic properties such as hydrophobicity, hydrogen bonding, shape/steric selectivity, and ion exchange capacity of stationary phases. The chromatographic parameters of each test were shown to be uncorrelated. Despite this, the three protocols were equally successful in identifying similar and/or dissimilar stationary phases. The veracity of the results has been supported by some real life pharmaceutical separations. The use of Principal Component Analysis to identify similar/dissimilar phases appears to have some limitations in terms of loss of information. In contrast, the use of Euclidian distances is a much more convenient and reliable approach. The use of auto scaled data is favoured over the use of weighted factors as the former data transformation is less affected by the addition or removal of columns from the database. The use of these free databases and their corresponding software tools shown to be valid for identifying similar columns with equivalent chromatographic selectivity and retention as a "backup column". In addition, dissimilar columns with complimentary chromatographic selectivity can be identified for method development screening strategies.

  4. A radiation-hydrodynamics model of accretion columns for ultra-luminous X-ray pulsars

    NASA Astrophysics Data System (ADS)

    Kawashima, Tomohisa; Mineshige, Shin; Ohsuga, Ken; Ogawa, Takumi

    2016-10-01

    Prompted by the recent discovery of pulsed emission from an ultra-luminous X-ray source, M 82 X-2 ("ULX-pulsar"), we perform a two-dimensional radiation-hydrodynamics simulation of a supercritical accretion flow onto a neutron star through a narrow accretion column. We set an accretion column with a cone shape filled with tenuous gas with the density of 10-4 g cm-3 above a neutron star and solve the two-dimensional gas motion and radiative transfer within the column. The side boundaries are set such that radiation can freely escape, but gas cannot. Since the initial gas layer is not in a hydrostatic balance, the column gas falls onto the neutron-star surface, and thereby a shock is generated. As a result, the accretion column is composed of two regions: an upper, nearly free-fall region and a lower settling region, as noted by Basko and Sunyaev (1976, MNRAS, 175, 395). The average accretion rate is very high; dot{M}˜ 10^{2{-}3} L_E/c2 (with LE being the Eddington luminosity), and so radiation energy dominates over gas internal energy entirely within the column. Despite the high accretion rate, the radiation flux in the laboratory frame is kept barely below LE/(4πr2) at a distance r in the settling region so that matter can slowly accrete. This adjustment is made possible, since a large amount of photons produced via dissipation of kinetic energy of matter can escape through the side boundaries. The total luminosity can greatly exceed LE by several orders of magnitude, whereas the apparent luminosity observed from the top of the column is much less. Due to such highly anisotropic radiation fields, the observed flux should exhibit periodic variations with the rotation period, provided that the rotation and magnetic axes are misaligned.

  5. A radiation-hydrodynamics model of accretion columns for ultra-luminous X-ray pulsars

    NASA Astrophysics Data System (ADS)

    Kawashima, Tomohisa; Mineshige, Shin; Ohsuga, Ken; Ogawa, Takumi

    2016-09-01

    Prompted by the recent discovery of pulsed emission from an ultra-luminous X-ray source, M 82 X-2 ("ULX-pulsar"), we perform a two-dimensional radiation-hydrodynamics simulation of a supercritical accretion flow onto a neutron star through a narrow accretion column. We set an accretion column with a cone shape filled with tenuous gas with the density of 10-4 g cm-3 above a neutron star and solve the two-dimensional gas motion and radiative transfer within the column. The side boundaries are set such that radiation can freely escape, but gas cannot. Since the initial gas layer is not in a hydrostatic balance, the column gas falls onto the neutron-star surface, and thereby a shock is generated. As a result, the accretion column is composed of two regions: an upper, nearly free-fall region and a lower settling region, as noted by Basko and Sunyaev (1976, MNRAS, 175, 395). The average accretion rate is very high; dot{M}}˜ 10^{2-3} L_E/c2 (with LE being the Eddington luminosity), and so radiation energy dominates over gas internal energy entirely within the column. Despite the high accretion rate, the radiation flux in the laboratory frame is kept barely below LE/(4πr2) at a distance r in the settling region so that matter can slowly accrete. This adjustment is made possible, since a large amount of photons produced via dissipation of kinetic energy of matter can escape through the side boundaries. The total luminosity can greatly exceed LE by several orders of magnitude, whereas the apparent luminosity observed from the top of the column is much less. Due to such highly anisotropic radiation fields, the observed flux should exhibit periodic variations with the rotation period, provided that the rotation and magnetic axes are misaligned.

  6. Finding Density Functionals with Machine Learning

    NASA Astrophysics Data System (ADS)

    Snyder, John C.; Rupp, Matthias; Hansen, Katja; Müller, Klaus-Robert; Burke, Kieron

    2012-06-01

    Machine learning is used to approximate density functionals. For the model problem of the kinetic energy of noninteracting fermions in 1D, mean absolute errors below 1kcal/mol on test densities similar to the training set are reached with fewer than 100 training densities. A predictor identifies if a test density is within the interpolation region. Via principal component analysis, a projected functional derivative finds highly accurate self-consistent densities. The challenges for application of our method to real electronic structure problems are discussed.

  7. Modeling of Crystalline Silicotitanate Ion Exchange Columns

    SciTech Connect

    Walker, D.D.

    1999-03-09

    Non-elutable ion exchange is being considered as a potential replacement for the In-Tank Precipitation process for removing cesium from Savannah River Site (SRS) radioactive waste. Crystalline silicotitanate (CST) particles are the reference ion exchange medium for the process. A major factor in the construction cost of this process is the size of the ion exchange column required to meet product specifications for decontaminated waste. To validate SRS column sizing calculations, SRS subcontracted two reknowned experts in this field to perform similar calculations: Professor R. G. Anthony, Department of Chemical Engineering, Texas A&038;M University, and Professor S. W. Wang, Department of Chemical Engineering, Purdue University. The appendices of this document contain reports from the two subcontractors. Definition of the design problem came through several meetings and conference calls between the participants and SRS personnel over the past few months. This document summarizes the problem definition and results from the two reports.

  8. A Universal Density Structure for Circumgalactic Gas

    NASA Astrophysics Data System (ADS)

    Stern, Jonathan; Hennawi, Joseph F.; Prochaska, J. Xavier; Werk, Jessica K.

    2016-10-01

    We develop a new method to constrain the physical conditions in the cool (∼104 K) circumgalactic medium (CGM) from measurements of ionic column densities by assuming that the cool CGM spans a large range of gas densities and that small high-density clouds are hierarchically embedded in large low-density clouds. The new method combines the information available from different sightlines during the photoionization modeling, thus yielding tighter constraints on CGM properties compared to traditional methods that model each sightline individually. Applying this new technique to the COS Halos survey of low-redshift ∼L* galaxies, we find that we can reproduce all observed ion columns in all 44 galaxies in the sample, from the low ions to {{O}} {{VI}}, with a single universal density structure for the cool CGM. The gas densities span the range 50≲ ρ /{\\bar{ρ }}b≲ 5× {10}5 ({\\bar{ρ }}b is the cosmic mean), while the physical size of individual clouds scales as ∼ρ ‑1, from ≈35 kpc for the low-density {{O}} {{VI}} clouds to ≈6 pc for the highest-density low-ion clouds. The deduced cloud sizes are too small for this density structure to be driven by self-gravity; thus, its physical origin is unclear. The implied cool CGM mass within the virial radius is (1.3 ± 0.4) × 1010 {M}ȯ (∼1% of the halo mass), distributed rather uniformly over the 4 decades in density. The mean cool gas density profile scales as {R}-1.0+/- 0.3, where R is the distance from the galaxy center. We construct a 3D model of the cool CGM based on our results, which we argue provides a benchmark for the CGM structure in hydrodynamic simulations. Our results can be tested by measuring the coherence scales of different ions.

  9. 1.1 μm superficially porous particles for liquid chromatography: part II: column packing and chromatographic performance.

    PubMed

    Blue, Laura E; Jorgenson, James W

    2015-02-01

    The predicted advantages of superficially porous particles over totally porous particles are decreased eddy dispersion, longitudinal diffusion, and resistance to mass transfer contributions to the theoretical plate height. While sub-2 micron superficially porous particles are commercially available, further improvements in performance are predicted by decreasing the particle diameter and decreasing the porous layer thickness. 1.1 μm superficially porous particles with 187Å pores have been synthesized using a layer-by-layer method tuned for production of smaller diameter particles. Following synthesis, these particles were packed into 30 μm i.d. capillary columns and their chromatographic performance evaluated using electrochemical detection. Based on the initial studies, the column efficiency did not meet theory, but was similar to the commercially available products tested. It is believed that the column packing process plays a critical role in the sub-par column performance. To determine if column efficiency could be predicted by solvent-particle interactions, in-solution optical microscopy and sedimentation velocity of particles in various slurry solvents were investigated and compared to column performance. Aggregating slurry solvents, such as methanol were found to produce columns with increased efficiency. The hmin for a column packed with an acetone slurry and a methanol slurry at 3mg/mL were found to be 6.3 and 3.5, respectively. Increasing the slurry concentration to 25mg/mL further improved the efficiency, producing a column with an hmin of 2.6. These efficiency results were accurately predicted by in-solution optical microscopy.

  10. Analysis of finishing reactive distillation columns

    SciTech Connect

    Espinosa, J.; Aguirre, P.; Frey, T.; Stichlmair, J.

    1999-01-01

    In this paper, a novel method to deal with the design and the synthesis of finishing reactive distillation columns with one reactive core, two rectifying sections, and one stripping section is presented. The attention of the work is concentrated on three subjects: (1) the feasibility of a given separation at both finite and total reflux operation; (2) the minimum energy demand operation; (3) the distribution of the reaction between the reactor and the finishing reactive column. The design problem presents the same grade of difficulty as that found in the design of conventional extractive columns. A geometric based method is used to explain key features of reactive distillation. Here, the relation between the reaction yield and the distillate flow rate plays a role similar to that of the entrainer flow in extractive distillation. Hence, special attention is given to the behavior of the profiles inside the rectifying section below the reactive core. The methodology is illustrated using the well-known MTBE case study.

  11. Whose Cortical Column Would that Be?

    PubMed Central

    da Costa, Nuno Maçarico; Martin, Kevan A. C.

    2010-01-01

    The cortical column has been an invaluable concept to explain the functional organization of the neocortex. While this idea was born out of experiments that cleverly combined electrophysiological recordings with anatomy, no one has ‘seen’ the anatomy of a column. All we know is that when we record through the cortex of primates, ungulates, and carnivores in a trajectory perpendicular to its surface there is a remarkable constancy in the receptive field properties of the neurons regarding one set of stimulus features. There is no obvious morphological analog for this functional architecture, in fact much of the anatomical data seems to challenge it. Here we describe historically the origins of the concept of the cortical column and the struggles of the pioneers to define the columnar architecture. We suggest that in the concept of a ‘canonical circuit’ we may find the means to reconcile the structure of neocortex with its functional architecture. The canonical microcircuit respects the known connectivity of the neocortex, and it is flexible enough to change transiently the architecture of its network in order to perform the required computations. PMID:20640245

  12. An explanation for differences in the process of colloid adsorption in batch and column studies.

    PubMed

    Treumann, Svantje; Torkzaban, Saeed; Bradford, Scott A; Visalakshan, Rahul M; Page, Declan

    2014-08-01

    It is essential to understand the mechanisms that control virus and bacteria removal in the subsurface environment to assess the risk of groundwater contamination with fecal microorganisms. This study was conducted to explicitly provide a critical and systematic comparison between batch and column experiments. The aim was to investigate the underlying factors causing the commonly observed discrepancies in colloid adsorption process in column and batch systems. We examined the colloid adsorption behavior of four different sizes of carboxylate-modified latex (CML) microspheres, as surrogates for viruses and bacteria, on quartz sand in batch and column experiments over a wide range of solution ionic strengths (IS). Our results show that adsorption of colloids in batch systems should be considered as an irreversible attachment because the attachment/detachment model was found to be inadequate in describing the batch results. An irreversible attachment-blocking model was found to accurately describe the results of both batch and column experiments. The rate of attachment was found to depend highly on colloid size, solution IS and the fraction of the sand surface area favorable for attachment (Sf). The rate of attachment and Sf values were different in batch and column experiments due to differences in the hydrodynamic of the system, and the role of surface roughness and pore structure on colloid attachment. Results from column and batch experiments were generally not comparable, especially for larger colloids (≥0.5μm). Predictions based on classical DLVO theory were found to inadequately describe interaction energies between colloids and sand surfaces.

  13. Measurements of Nitrogen Dioxide Total Column Amounts using a Brewer Double Spectrophotometer in Direct Sun Mode

    NASA Technical Reports Server (NTRS)

    Cede, Alexander; Herman, Jay; Richter, Andreas; Krotkov, Nickolay; Burrows, John

    2006-01-01

    NO2 column amounts were measured for the past 2 years at Goddard Space Flight Center, Greenbelt, Maryland, using a Brewer spectrometer in direct Sun mode. A new bootstrap method to calibrate the instrument is introduced and described. This technique selects the cleanest days from the database to obtain the solar reference spectrum. The main advantage for direct Sun measurements is that the conversion uncertainty from slant column to vertical column is negligible compared to the standard scattered light observations where it is typically on the order of 100% (2sigma) at polluted sites. The total 2sigma errors of the direct Sun retrieved column amounts decrease with solar zenith angle and are estimated at 0.2 to 0.6 Dobson units (DU, 1 DU approx. equal to 2.7 10(exp 16) molecules cm(exp -2)), which is more accurate than scattered light measurements for high NO2 amounts. Measured NO2 column amounts, ranging from 0 to 3 DU with a mean of 0.7 DU, show a pronounced daily course and a strong variability from day to day. The NO2 concentration typically increases from sunrise to noon. In the afternoon it decreases in summer and stays constant in winter. As expected from the anthropogenic nature of its source, NO2 amounts on weekends are significantly reduced. The measurements were compared to satellite retrievals from Scanning Image Absorption Spectrometer for Atmospheric Chartography (SCIAMACHY). Satellite data give the same average NO2 column and show a seasonal cycle that is similar to the ground data in the afternoon. We show that NO2 must be considered when retrieving aerosol absorption properties, especially for situations with low aerosol optical depth.

  14. Feedback about More Accurate versus Less Accurate Trials: Differential Effects on Self-Confidence and Activation

    ERIC Educational Resources Information Center

    Badami, Rokhsareh; VaezMousavi, Mohammad; Wulf, Gabriele; Namazizadeh, Mahdi

    2012-01-01

    One purpose of the present study was to examine whether self-confidence or anxiety would be differentially affected by feedback from more accurate rather than less accurate trials. The second purpose was to determine whether arousal variations (activation) would predict performance. On Day 1, participants performed a golf putting task under one of…

  15. Highly Accurate Calculations of the Phase Diagram of Cold Lithium

    NASA Astrophysics Data System (ADS)

    Shulenburger, Luke; Baczewski, Andrew

    The phase diagram of lithium is particularly complicated, exhibiting many different solid phases under the modest application of pressure. Experimental efforts to identify these phases using diamond anvil cells have been complemented by ab initio theory, primarily using density functional theory (DFT). Due to the multiplicity of crystal structures whose enthalpy is nearly degenerate and the uncertainty introduced by density functional approximations, we apply the highly accurate many-body diffusion Monte Carlo (DMC) method to the study of the solid phases at low temperature. These calculations span many different phases, including several with low symmetry, demonstrating the viability of DMC as a method for calculating phase diagrams for complex solids. Our results can be used as a benchmark to test the accuracy of various density functionals. This can strengthen confidence in DFT based predictions of more complex phenomena such as the anomalous melting behavior predicted for lithium at high pressures. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  16. An accurate equation of state for fluids and solids.

    PubMed

    Parsafar, G A; Spohr, H V; Patey, G N

    2009-09-01

    A simple functional form for a general equation of state based on an effective near-neighbor pair interaction of an extended Lennard-Jones (12,6,3) type is given and tested against experimental data for a wide variety of fluids and solids. Computer simulation results for ionic liquids are used for further evaluation. For fluids, there appears to be no upper density limitation on the equation of state. The lower density limit for isotherms near the critical temperature is the critical density. The equation of state gives a good description of all types of fluids, nonpolar (including long-chain hydrocarbons), polar, hydrogen-bonded, and metallic, at temperatures ranging from the triple point to the highest temperature for which there is experimental data. For solids, the equation of state is very accurate for all types considered, including covalent, molecular, metallic, and ionic systems. The experimental pvT data available for solids does not reveal any pressure or temperature limitations. An analysis of the importance and possible underlying physical significance of the terms in the equation of state is given. PMID:19678647

  17. Feedback about more accurate versus less accurate trials: differential effects on self-confidence and activation.

    PubMed

    Badami, Rokhsareh; VaezMousavi, Mohammad; Wulf, Gabriele; Namazizadeh, Mahdi

    2012-06-01

    One purpose of the present study was to examine whether self-confidence or anxiety would be differentially affected byfeedback from more accurate rather than less accurate trials. The second purpose was to determine whether arousal variations (activation) would predict performance. On day 1, participants performed a golf putting task under one of two conditions: one group received feedback on the most accurate trials, whereas another group received feedback on the least accurate trials. On day 2, participants completed an anxiety questionnaire and performed a retention test. Shin conductance level, as a measure of arousal, was determined. The results indicated that feedback about more accurate trials resulted in more effective learning as well as increased self-confidence. Also, activation was a predictor of performance. PMID:22808705

  18. Buoyant densities of phototrophic sulfur bacteria and cyanobacteria

    NASA Technical Reports Server (NTRS)

    Guerrero, R.

    1985-01-01

    The buoyant densities of bacterial cells are greatly influenced by the accumulation of intracellular reserve material. The buoyant density of phototrophic bacteria that are planktonic is of particular interest, since these organisms must remain in the photic zone of the water column for optimal growth. Separation of cells by their buoyant density may also be of use in separating and identifying organisms from a natural population. The bacteria used were obtained from pure cultures, enrichments, or samples taken directly from the environment.

  19. [Scale-up of conical column with 10 degree opening angle as preparative liquid chromatographic column].

    PubMed

    Lu, Liejuan; Chen, Jie; Guan, Yafeng

    2009-05-01

    A preparative scale liquid chromatographic column with the conical shape of 10 degrees opening angle was constructed and evaluated. The column was designed with the inlet/outlet diameters of 54/27 mm, the column length of 150 mm and the column volume of 200 mL, and packed with the spherical C18 bonded silica with the particle size of 40-75 microm and the aperture of 11 nm. The mobile phase in the conical column showed a plug like flow profile and plug like chromatographic band shape. For naphthalene, the reduced plate height was about 2.11; the maximum sample load was 2.1 mg or 1.7 mL (10% reduction of plate number), which is 20%, 16% and 19% higher than that of cylindrical one of the same length and volume. As the injection mass increased from 2. 4 mg up to 12 mg, the resolution of ethyl paraben/butyl (R, ) reduced from 2. 14 down to 1.71, and the butyl paraben/naphthalene (Rs3) from 2.91 down to 2.52; the injection volume increased from 3 mL up to 19 mL, Rs2, reduced from 2.23 down to 1.28, and Rs3 from 2.95 down to 2.30, while the peaks were still in symmetric shape without tailing. This characteristic of the column shall benefit for the separation of trace components from matrix. This demonstrated the conical shaped preparative columns would have a broad practical applicability for obtaining pure compounds. PMID:19803133

  20. Two highly accurate methods for pitch calibration

    NASA Astrophysics Data System (ADS)

    Kniel, K.; Härtig, F.; Osawa, S.; Sato, O.

    2009-11-01

    Among profiles, helix and tooth thickness pitch is one of the most important parameters of an involute gear measurement evaluation. In principle, coordinate measuring machines (CMM) and CNC-controlled gear measuring machines as a variant of a CMM are suited for these kinds of gear measurements. Now the Japan National Institute of Advanced Industrial Science and Technology (NMIJ/AIST) and the German national metrology institute the Physikalisch-Technische Bundesanstalt (PTB) have each developed independently highly accurate pitch calibration methods applicable to CMM or gear measuring machines. Both calibration methods are based on the so-called closure technique which allows the separation of the systematic errors of the measurement device and the errors of the gear. For the verification of both calibration methods, NMIJ/AIST and PTB performed measurements on a specially designed pitch artifact. The comparison of the results shows that both methods can be used for highly accurate calibrations of pitch standards.

  1. Accurate guitar tuning by cochlear implant musicians.

    PubMed

    Lu, Thomas; Huang, Juan; Zeng, Fan-Gang

    2014-01-01

    Modern cochlear implant (CI) users understand speech but find difficulty in music appreciation due to poor pitch perception. Still, some deaf musicians continue to perform with their CI. Here we show unexpected results that CI musicians can reliably tune a guitar by CI alone and, under controlled conditions, match simultaneously presented tones to <0.5 Hz. One subject had normal contralateral hearing and produced more accurate tuning with CI than his normal ear. To understand these counterintuitive findings, we presented tones sequentially and found that tuning error was larger at ∼ 30 Hz for both subjects. A third subject, a non-musician CI user with normal contralateral hearing, showed similar trends in performance between CI and normal hearing ears but with less precision. This difference, along with electric analysis, showed that accurate tuning was achieved by listening to beats rather than discriminating pitch, effectively turning a spectral task into a temporal discrimination task. PMID:24651081

  2. Accurate Guitar Tuning by Cochlear Implant Musicians

    PubMed Central

    Lu, Thomas; Huang, Juan; Zeng, Fan-Gang

    2014-01-01

    Modern cochlear implant (CI) users understand speech but find difficulty in music appreciation due to poor pitch perception. Still, some deaf musicians continue to perform with their CI. Here we show unexpected results that CI musicians can reliably tune a guitar by CI alone and, under controlled conditions, match simultaneously presented tones to <0.5 Hz. One subject had normal contralateral hearing and produced more accurate tuning with CI than his normal ear. To understand these counterintuitive findings, we presented tones sequentially and found that tuning error was larger at ∼30 Hz for both subjects. A third subject, a non-musician CI user with normal contralateral hearing, showed similar trends in performance between CI and normal hearing ears but with less precision. This difference, along with electric analysis, showed that accurate tuning was achieved by listening to beats rather than discriminating pitch, effectively turning a spectral task into a temporal discrimination task. PMID:24651081

  3. Preparation and accurate measurement of pure ozone.

    PubMed

    Janssen, Christof; Simone, Daniela; Guinet, Mickaël

    2011-03-01

    Preparation of high purity ozone as well as precise and accurate measurement of its pressure are metrological requirements that are difficult to meet due to ozone decomposition occurring in pressure sensors. The most stable and precise transducer heads are heated and, therefore, prone to accelerated ozone decomposition, limiting measurement accuracy and compromising purity. Here, we describe a vacuum system and a method for ozone production, suitable to accurately determine the pressure of pure ozone by avoiding the problem of decomposition. We use an inert gas in a particularly designed buffer volume and can thus achieve high measurement accuracy and negligible degradation of ozone with purities of 99.8% or better. The high degree of purity is ensured by comprehensive compositional analyses of ozone samples. The method may also be applied to other reactive gases. PMID:21456766

  4. Accurate guitar tuning by cochlear implant musicians.

    PubMed

    Lu, Thomas; Huang, Juan; Zeng, Fan-Gang

    2014-01-01

    Modern cochlear implant (CI) users understand speech but find difficulty in music appreciation due to poor pitch perception. Still, some deaf musicians continue to perform with their CI. Here we show unexpected results that CI musicians can reliably tune a guitar by CI alone and, under controlled conditions, match simultaneously presented tones to <0.5 Hz. One subject had normal contralateral hearing and produced more accurate tuning with CI than his normal ear. To understand these counterintuitive findings, we presented tones sequentially and found that tuning error was larger at ∼ 30 Hz for both subjects. A third subject, a non-musician CI user with normal contralateral hearing, showed similar trends in performance between CI and normal hearing ears but with less precision. This difference, along with electric analysis, showed that accurate tuning was achieved by listening to beats rather than discriminating pitch, effectively turning a spectral task into a temporal discrimination task.

  5. Accurate modeling of parallel scientific computations

    NASA Technical Reports Server (NTRS)

    Nicol, David M.; Townsend, James C.

    1988-01-01

    Scientific codes are usually parallelized by partitioning a grid among processors. To achieve top performance it is necessary to partition the grid so as to balance workload and minimize communication/synchronization costs. This problem is particularly acute when the grid is irregular, changes over the course of the computation, and is not known until load time. Critical mapping and remapping decisions rest on the ability to accurately predict performance, given a description of a grid and its partition. This paper discusses one approach to this problem, and illustrates its use on a one-dimensional fluids code. The models constructed are shown to be accurate, and are used to find optimal remapping schedules.

  6. Line gas sampling system ensures accurate analysis

    SciTech Connect

    Not Available

    1992-06-01

    Tremendous changes in the natural gas business have resulted in new approaches to the way natural gas is measured. Electronic flow measurement has altered the business forever, with developments in instrumentation and a new sensitivity to the importance of proper natural gas sampling techniques. This paper reports that YZ Industries Inc., Snyder, Texas, combined its 40 years of sampling experience with the latest in microprocessor-based technology to develop the KynaPak 2000 series, the first on-line natural gas sampling system that is both compact and extremely accurate. This means the composition of the sampled gas must be representative of the whole and related to flow. If so, relative measurement and sampling techniques are married, gas volumes are accurately accounted for and adjustments to composition can be made.

  7. Accurate mask model for advanced nodes

    NASA Astrophysics Data System (ADS)

    Zine El Abidine, Nacer; Sundermann, Frank; Yesilada, Emek; Ndiaye, El Hadji Omar; Mishra, Kushlendra; Paninjath, Sankaranarayanan; Bork, Ingo; Buck, Peter; Toublan, Olivier; Schanen, Isabelle

    2014-07-01

    Standard OPC models consist of a physical optical model and an empirical resist model. The resist model compensates the optical model imprecision on top of modeling resist development. The optical model imprecision may result from mask topography effects and real mask information including mask ebeam writing and mask process contributions. For advanced technology nodes, significant progress has been made to model mask topography to improve optical model accuracy. However, mask information is difficult to decorrelate from standard OPC model. Our goal is to establish an accurate mask model through a dedicated calibration exercise. In this paper, we present a flow to calibrate an accurate mask enabling its implementation. The study covers the different effects that should be embedded in the mask model as well as the experiment required to model them.

  8. 18. VIEW SOUTH OF TIMBER COLUMNS ON FIRST FLOOR OF ...

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

    18. VIEW SOUTH OF TIMBER COLUMNS ON FIRST FLOOR OF BUILDING 21 SHOWING TYPICAL MILL CONSTRUCTION; COLUMNS REST ON CAST IRON BASE PLATES - Scovill Brass Works, 59 Mill Street, Waterbury, New Haven County, CT

  9. 6. HISTORIC AMERICAN BUILDINGS SURVEY, INTERIOR SHOWING ORIGINAL GRANITE COLUMNS ...

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

    6. HISTORIC AMERICAN BUILDINGS SURVEY, INTERIOR SHOWING ORIGINAL GRANITE COLUMNS AND COLUMN BRICKFACED AFTER THE GREAT FIRE 1904 - Old U.S. Appraisers Stores, Gay & Lombard Streets, Baltimore, Independent City, MD

  10. Detail of roof trusses showing phoenix columns. Note structural phoenix ...

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

    Detail of roof trusses showing phoenix columns. Note structural phoenix column in foreground. - Phoenix Iron Company, Rolling Mill, North of French Creek, west of Fairview Avenue, Phoenixville, Chester County, PA

  11. CAR MACHINE SHOP, FIRST FLOOR, DETAIL OF WOOD COLUMN AND ...

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

    CAR MACHINE SHOP, FIRST FLOOR, DETAIL OF WOOD COLUMN AND INVERTED KING-POST TRUSS TO PROVIDE INCREASED SPAN BETWEEN COLUMNS, LOOKING SOUTH. - Southern Pacific, Sacramento Shops, Car Machine Shop, 111 I Street, Sacramento, Sacramento County, CA

  12. A Convenient Method for Comparison of Efficiency of Fractionating Columns.

    ERIC Educational Resources Information Center

    Higgins, Robert H.

    1990-01-01

    Presented is a method for demonstrating the use of various fractionating columns to resolve mixtures into individual components and to correlate the resolving powers of column packings to their "hold-up" volumes. Fractions were analyzed using refractive indices. (KR)

  13. Method to fabricate silicon chromatographic column comprising fluid ports

    DOEpatents

    Manginell, Ronald P.; Frye-Mason, Gregory C.; Heller, Edwin J.; Adkins, Douglas R.

    2004-03-02

    A new method for fabricating a silicon chromatographic column comprising through-substrate fluid ports has been developed. This new method enables the fabrication of multi-layer interconnected stacks of silicon chromatographic columns.

  14. 3. Detail of beam splice and column capital on the ...

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

    3. Detail of beam splice and column capital on the second floor of the Cloth Room Building/Old Bleach House, Monadnock Mills. Beam and column edges are chamfered. - Monadnock Mills, 15 Water Street, Claremont, Sullivan County, NH

  15. 14. Detail view of columns, capitals and beams at south ...

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

    14. Detail view of columns, capitals and beams at south end of north section of mill. Note the transition from deep pocket to shallow pocket column capitals. - Lowe Mill, Eighth Avenue, Southwest, Huntsville, Madison County, AL

  16. 20. Detail of 8" square solid wood column at fruit ...

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

    20. Detail of 8" square solid wood column at fruit and vegetable storage room; note ledger plates bolted to top of column - Fort Hood, World War II Temporary Buildings, Cold Storage Building, Seventeenth Street, Killeen, Bell County, TX

  17. 19. Detail of builtup 5" x 13" column at fruit ...

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

    19. Detail of built-up 5" x 13" column at fruit and vegetable storage room; note ledger plates bolted to top of column - Fort Hood, World War II Temporary Buildings, Cold Storage Building, Seventeenth Street, Killeen, Bell County, TX

  18. Accurate maser positions for MALT-45

    NASA Astrophysics Data System (ADS)

    Jordan, Christopher; Bains, Indra; Voronkov, Maxim; Lo, Nadia; Jones, Paul; Muller, Erik; Cunningham, Maria; Burton, Michael; Brooks, Kate; Green, James; Fuller, Gary; Barnes, Peter; Ellingsen, Simon; Urquhart, James; Morgan, Larry; Rowell, Gavin; Walsh, Andrew; Loenen, Edo; Baan, Willem; Hill, Tracey; Purcell, Cormac; Breen, Shari; Peretto, Nicolas; Jackson, James; Lowe, Vicki; Longmore, Steven

    2013-10-01

    MALT-45 is an untargeted survey, mapping the Galactic plane in CS (1-0), Class I methanol masers, SiO masers and thermal emission, and high frequency continuum emission. After obtaining images from the survey, a number of masers were detected, but without accurate positions. This project seeks to resolve each maser and its environment, with the ultimate goal of placing the Class I methanol maser into a timeline of high mass star formation.

  19. Accurate maser positions for MALT-45

    NASA Astrophysics Data System (ADS)

    Jordan, Christopher; Bains, Indra; Voronkov, Maxim; Lo, Nadia; Jones, Paul; Muller, Erik; Cunningham, Maria; Burton, Michael; Brooks, Kate; Green, James; Fuller, Gary; Barnes, Peter; Ellingsen, Simon; Urquhart, James; Morgan, Larry; Rowell, Gavin; Walsh, Andrew; Loenen, Edo; Baan, Willem; Hill, Tracey; Purcell, Cormac; Breen, Shari; Peretto, Nicolas; Jackson, James; Lowe, Vicki; Longmore, Steven

    2013-04-01

    MALT-45 is an untargeted survey, mapping the Galactic plane in CS (1-0), Class I methanol masers, SiO masers and thermal emission, and high frequency continuum emission. After obtaining images from the survey, a number of masers were detected, but without accurate positions. This project seeks to resolve each maser and its environment, with the ultimate goal of placing the Class I methanol maser into a timeline of high mass star formation.

  20. Accurate Molecular Polarizabilities Based on Continuum Electrostatics

    PubMed Central

    Truchon, Jean-François; Nicholls, Anthony; Iftimie, Radu I.; Roux, Benoît; Bayly, Christopher I.

    2013-01-01

    A novel approach for representing the intramolecular polarizability as a continuum dielectric is introduced to account for molecular electronic polarization. It is shown, using a finite-difference solution to the Poisson equation, that the Electronic Polarization from Internal Continuum (EPIC) model yields accurate gas-phase molecular polarizability tensors for a test set of 98 challenging molecules composed of heteroaromatics, alkanes and diatomics. The electronic polarization originates from a high intramolecular dielectric that produces polarizabilities consistent with B3LYP/aug-cc-pVTZ and experimental values when surrounded by vacuum dielectric. In contrast to other approaches to model electronic polarization, this simple model avoids the polarizability catastrophe and accurately calculates molecular anisotropy with the use of very few fitted parameters and without resorting to auxiliary sites or anisotropic atomic centers. On average, the unsigned error in the average polarizability and anisotropy compared to B3LYP are 2% and 5%, respectively. The correlation between the polarizability components from B3LYP and this approach lead to a R2 of 0.990 and a slope of 0.999. Even the F2 anisotropy, shown to be a difficult case for existing polarizability models, can be reproduced within 2% error. In addition to providing new parameters for a rapid method directly applicable to the calculation of polarizabilities, this work extends the widely used Poisson equation to areas where accurate molecular polarizabilities matter. PMID:23646034

  1. Accurate phase-shift velocimetry in rock.

    PubMed

    Shukla, Matsyendra Nath; Vallatos, Antoine; Phoenix, Vernon R; Holmes, William M

    2016-06-01

    Spatially resolved Pulsed Field Gradient (PFG) velocimetry techniques can provide precious information concerning flow through opaque systems, including rocks. This velocimetry data is used to enhance flow models in a wide range of systems, from oil behaviour in reservoir rocks to contaminant transport in aquifers. Phase-shift velocimetry is the fastest way to produce velocity maps but critical issues have been reported when studying flow through rocks and porous media, leading to inaccurate results. Combining PFG measurements for flow through Bentheimer sandstone with simulations, we demonstrate that asymmetries in the molecular displacement distributions within each voxel are the main source of phase-shift velocimetry errors. We show that when flow-related average molecular displacements are negligible compared to self-diffusion ones, symmetric displacement distributions can be obtained while phase measurement noise is minimised. We elaborate a complete method for the production of accurate phase-shift velocimetry maps in rocks and low porosity media and demonstrate its validity for a range of flow rates. This development of accurate phase-shift velocimetry now enables more rapid and accurate velocity analysis, potentially helping to inform both industrial applications and theoretical models. PMID:27111139

  2. Accurate phase-shift velocimetry in rock

    NASA Astrophysics Data System (ADS)

    Shukla, Matsyendra Nath; Vallatos, Antoine; Phoenix, Vernon R.; Holmes, William M.

    2016-06-01

    Spatially resolved Pulsed Field Gradient (PFG) velocimetry techniques can provide precious information concerning flow through opaque systems, including rocks. This velocimetry data is used to enhance flow models in a wide range of systems, from oil behaviour in reservoir rocks to contaminant transport in aquifers. Phase-shift velocimetry is the fastest way to produce velocity maps but critical issues have been reported when studying flow through rocks and porous media, leading to inaccurate results. Combining PFG measurements for flow through Bentheimer sandstone with simulations, we demonstrate that asymmetries in the molecular displacement distributions within each voxel are the main source of phase-shift velocimetry errors. We show that when flow-related average molecular displacements are negligible compared to self-diffusion ones, symmetric displacement distributions can be obtained while phase measurement noise is minimised. We elaborate a complete method for the production of accurate phase-shift velocimetry maps in rocks and low porosity media and demonstrate its validity for a range of flow rates. This development of accurate phase-shift velocimetry now enables more rapid and accurate velocity analysis, potentially helping to inform both industrial applications and theoretical models.

  3. Accurate phase-shift velocimetry in rock.

    PubMed

    Shukla, Matsyendra Nath; Vallatos, Antoine; Phoenix, Vernon R; Holmes, William M

    2016-06-01

    Spatially resolved Pulsed Field Gradient (PFG) velocimetry techniques can provide precious information concerning flow through opaque systems, including rocks. This velocimetry data is used to enhance flow models in a wide range of systems, from oil behaviour in reservoir rocks to contaminant transport in aquifers. Phase-shift velocimetry is the fastest way to produce velocity maps but critical issues have been reported when studying flow through rocks and porous media, leading to inaccurate results. Combining PFG measurements for flow through Bentheimer sandstone with simulations, we demonstrate that asymmetries in the molecular displacement distributions within each voxel are the main source of phase-shift velocimetry errors. We show that when flow-related average molecular displacements are negligible compared to self-diffusion ones, symmetric displacement distributions can be obtained while phase measurement noise is minimised. We elaborate a complete method for the production of accurate phase-shift velocimetry maps in rocks and low porosity media and demonstrate its validity for a range of flow rates. This development of accurate phase-shift velocimetry now enables more rapid and accurate velocity analysis, potentially helping to inform both industrial applications and theoretical models.

  4. Cross flow cyclonic flotation column for coal and minerals beneficiation

    DOEpatents

    Lai, Ralph W.; Patton, Robert A.

    2000-01-01

    An apparatus and process for the separation of coal from pyritic impurities using a modified froth flotation system. The froth flotation column incorporates a helical track about the inner wall of the column in a region intermediate between the top and base of the column. A standard impeller located about the central axis of the column is used to generate a centrifugal force thereby increasing the separation efficiency of coal from the pyritic particles and hydrophillic tailings.

  5. High Frequency QRS ECG Accurately Detects Cardiomyopathy

    NASA Technical Reports Server (NTRS)

    Schlegel, Todd T.; Arenare, Brian; Poulin, Gregory; Moser, Daniel R.; Delgado, Reynolds

    2005-01-01

    High frequency (HF, 150-250 Hz) analysis over the entire QRS interval of the ECG is more sensitive than conventional ECG for detecting myocardial ischemia. However, the accuracy of HF QRS ECG for detecting cardiomyopathy is unknown. We obtained simultaneous resting conventional and HF QRS 12-lead ECGs in 66 patients with cardiomyopathy (EF = 23.2 plus or minus 6.l%, mean plus or minus SD) and in 66 age- and gender-matched healthy controls using PC-based ECG software recently developed at NASA. The single most accurate ECG parameter for detecting cardiomyopathy was an HF QRS morphological score that takes into consideration the total number and severity of reduced amplitude zones (RAZs) present plus the clustering of RAZs together in contiguous leads. This RAZ score had an area under the receiver operator curve (ROC) of 0.91, and was 88% sensitive, 82% specific and 85% accurate for identifying cardiomyopathy at optimum score cut-off of 140 points. Although conventional ECG parameters such as the QRS and QTc intervals were also significantly longer in patients than controls (P less than 0.001, BBBs excluded), these conventional parameters were less accurate (area under the ROC = 0.77 and 0.77, respectively) than HF QRS morphological parameters for identifying underlying cardiomyopathy. The total amplitude of the HF QRS complexes, as measured by summed root mean square voltages (RMSVs), also differed between patients and controls (33.8 plus or minus 11.5 vs. 41.5 plus or minus 13.6 mV, respectively, P less than 0.003), but this parameter was even less accurate in distinguishing the two groups (area under ROC = 0.67) than the HF QRS morphologic and conventional ECG parameters. Diagnostic accuracy was optimal (86%) when the RAZ score from the HF QRS ECG and the QTc interval from the conventional ECG were used simultaneously with cut-offs of greater than or equal to 40 points and greater than or equal to 445 ms, respectively. In conclusion 12-lead HF QRS ECG employing

  6. Experimental measurements of the m = 1 unstable diocotron mode in hollow electron columns

    SciTech Connect

    Shi, W.; Mitchell, T. B.

    2006-10-18

    Trapped electron columns with hollow density profiles exhibit an exponential m = 1 diocotron instability which can not be accounted for in standard 2D fluid theory. End effects are believed responsible for the discrepancy. We present measurements of the instability for initial conditions where the hollowness and the end curvature were systematically varied. Mode eigenfunctions, eigenfrequencies and growth rate scalings are compared with existing theory and experiments. The agreement is fairly good although a few discrepancies remain.

  7. Calibration of the total carbon column observing network using aircraft profile data

    NASA Astrophysics Data System (ADS)

    Wunch, D.; Toon, G. C.; Wennberg, P. O.; Wofsy, S. C.; Stephens, B. B.; Fischer, M. L.; Uchino, O.; Abshire, J. B.; Bernath, P.; Biraud, S. C.; Blavier, J.-F. L.; Boone, C.; Bowman, K. P.; Browell, E. V.; Campos, T.; Connor, B. J.; Daube, B. C.; Deutscher, N. M.; Diao, M.; Elkins, J. W.; Gerbig, C.; Gottlieb, E.; Griffith, D. W. T.; Hurst, D. F.; Jiménez, R.; Keppel-Aleks, G.; Kort, E.; Macatangay, R.; Machida, T.; Matsueda, H.; Moore, F.; Morino, I.; Park, S.; Robinson, J.; Roehl, C. M.; Sawa, Y.; Sherlock, V.; Sweeney, C.; Tanaka, T.; Zondlo, M. A.

    2010-06-01

    The Total Carbon Column Observing Network (TCCON) produces precise measurements of the column average dry-air mole fractions of CO2, CO, CH4, N2O and H2O at a variety of sites worldwide. These observations rely on spectroscopic parameters that are not known with sufficient accuracy to compute total columns that can be used in combination with in situ measurements. The TCCON must therefore be calibrated to World Meteorological Organization (WMO) in situ trace gas measurement scales. We present a calibration of TCCON data using WMO-scale instrumentation aboard aircraft that measured profiles over four TCCON stations during 2008 and 2009. The aircraft campaigns are the Stratosphere-Troposphere Analyses of Regional Transport 2008 (START-08), which included a profile over the Park Falls site, the HIAPER Pole-to-Pole Observations (HIPPO-1) campaign, which included profiles over the Lamont and Lauder sites, a series of Learjet profiles over the Lamont site, and a Beechcraft King Air profile over the Tsukuba site. These calibrations are compared with similar observations made during the INTEX-NA (2004), COBRA-ME (2004) and TWP-ICE (2006) campaigns. A single, global calibration factor for each gas accurately captures the TCCON total column data within error.

  8. Calibration of the Total Carbon Column Observing Network using Aircraft Profile Data

    SciTech Connect

    Wunch, Debra; Toon, Geoffrey C.; Wennberg, Paul O.; Wofsy, Steven C.; Stephens, Britton B.; Fischer, Marc L.; Uchino, Osamu; Abshire, James B.; Bernath, Peter; Biraud, Sebastien C.; Blavier, Jean-Francois L.; Boone, Chris; Bowman, Kenneth P.; Browell, Edward V.; Campos, Teresa; Connor, Brian J.; Daube, Bruce C.; Deutscher, Nicholas M.; Diao, Minghui; Elkins, James W.; Gerbig, Christoph; Gottlieb, Elaine; Griffith, David W. T.; Hurst, Dale F.; Jimenez, Rodrigo; Keppel-Aleks, Gretchen; Kort, Eric; Macatangay, Ronald; Machida, Toshinobu; Matsueda, Hidekazu; Moore, Fred; Morino, Isamu; Park, Sunyoung; Robinson, John; Roehl, Coleen M.; Sawa, Yusuke; Sherlock, Vanessa; Sweeney, Colm; Tanaka, Tomoaki; Zondlo, Mark A.

    2010-03-26

    The Total Carbon Column Observing Network (TCCON) produces precise measurements of the column average dry-air mole fractions of CO{sub 2}, CO, CH{sub 4}, N{sub 2}O and H{sub 2}O at a variety of sites worldwide. These observations rely on spectroscopic parameters that are not known with sufficient accuracy to compute total columns that can be used in combination with in situ measure ments. The TCCON must therefore be calibrated to World Meteorological Organization (WMO) in situ trace gas measurement scales. We present a calibration of TCCON data using WMO-scale instrumentation aboard aircraft that measured profiles over four TCCON stations during 2008 and 2009. The aircraft campaigns are the Stratosphere-Troposphere Analyses of Regional Transport 2008 (START-08), which included a profile over the Park Falls site, the HIAPER Pole-to-Pole Observations (HIPPO-1) campaign, which included profiles over the Lamont and Lauder sites, a series of Learjet profiles over the Lamont site, and a Beechcraft King Air profile over the Tsukuba site. These calibrations are compared with similar observations made during the INTEX-NA (2004), COBRA-ME (2004) and TWP-ICE (2006) campaigns. A single, global calibration factor for each gas accurately captures the TCCON total column data within error.

  9. 46 CFR 174.085 - Flooding on column stabilized units.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 7 2012-10-01 2012-10-01 false Flooding on column stabilized units. 174.085 Section 174... Units § 174.085 Flooding on column stabilized units. (a) Watertight compartments that are outboard of... of the unit, must be assumed to be subject to flooding as follows: (1) When a column is...

  10. 46 CFR 174.085 - Flooding on column stabilized units.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 7 2014-10-01 2014-10-01 false Flooding on column stabilized units. 174.085 Section 174... Units § 174.085 Flooding on column stabilized units. (a) Watertight compartments that are outboard of... of the unit, must be assumed to be subject to flooding as follows: (1) When a column is...

  11. 46 CFR 174.085 - Flooding on column stabilized units.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 7 2011-10-01 2011-10-01 false Flooding on column stabilized units. 174.085 Section 174... Units § 174.085 Flooding on column stabilized units. (a) Watertight compartments that are outboard of... of the unit, must be assumed to be subject to flooding as follows: (1) When a column is...

  12. Dynamic saturation in Semiconductor Optical Amplifiers: accurate model, role of carrier density, and slow light.

    PubMed

    Berger, Perrine; Alouini, Mehdi; Bourderionnet, Jérôme; Bretenaker, Fabien; Dolfi, Daniel

    2010-01-18

    We developed an improved model in order to predict the RF behavior and the slow light properties of the SOA valid for any experimental conditions. It takes into account the dynamic saturation of the SOA, which can be fully characterized by a simple measurement, and only relies on material fitting parameters, independent of the optical intensity and the injected current. The present model is validated by showing a good agreement with experiments for small and large modulation indices.

  13. Accurate Diels-Alder reaction energies from efficient density functional calculations.

    PubMed

    Mezei, Pál D; Csonka, Gábor I; Kállay, Mihály

    2015-06-01

    We assess the performance of the semilocal PBE functional; its global hybrid variants; the highly parametrized empirical M06-2X and M08-SO; the range separated rCAM-B3LYP and MCY3; the atom-pairwise or nonlocal dispersion corrected semilocal PBE and TPSS; the dispersion corrected range-separated ωB97X-D; the dispersion corrected double hybrids such as PWPB95-D3; the direct random phase approximation, dRPA, with Hartree-Fock, Perdew-Burke-Ernzerhof, and Perdew-Burke-Ernzerhof hybrid reference orbitals and the RPAX2 method based on a Perdew-Burke-Ernzerhof exchange reference orbitals for the Diels-Alder, DARC; and self-interaction error sensitive, SIE11, reaction energy test sets with large, augmented correlation consistent valence basis sets. The dRPA energies for the DARC test set are extrapolated to the complete basis set limit. CCSD(T)/CBS energies were used as a reference. The standard global hybrid functionals show general improvements over the typical endothermic energy error of semilocal functionals, but despite the increased accuracy the precision of the methods increases only slightly, and thus all reaction energies are simply shifted into the exothermic direction. Dispersion corrections give mixed results for the DARC test set. Vydrov-Van Voorhis 10 correction to the reaction energies gives superior quality results compared to the too-small D3 correction. Functionals parametrized for energies of noncovalent interactions like M08-SO give reasonable results without any dispersion correction. The dRPA method that seamlessly and theoretically correctly includes noncovalent interaction energies gives excellent results with properly chosen reference orbitals. As the results for the SIE11 test set and H2(+) dissociation show that the dRPA methods suffer from delocalization error, good reaction energies for the DARC test set from a given method do not prove that the method is free from delocalization error. The RPAX2 method shows good performance for the DARC, the SIE11 test sets, and for the H2(+) and H2 potential energy curves showing no one-electron self-interaction error and reduced static correlation errors at the same time. We also suggest simplified DARC6 and SIE9 test sets for future benchmarking. PMID:26575577

  14. Applicability of density functional theory in reproducing accurate vibrational spectra of surface bound species.

    PubMed

    Matanović, Ivana; Atanassov, Plamen; Kiefer, Boris; Garzon, Fernando H; Henson, Neil J

    2014-10-01

    The structural equilibrium parameters, the adsorption energies, and the vibrational frequencies of the nitrogen molecule and the hydrogen atom adsorbed on the (111) surface of rhodium have been investigated using different generalized-gradient approximation (GGA), nonlocal correlation, meta-GGA, and hybrid functionals, namely, Perdew, Burke, and Ernzerhof (PBE), Revised-RPBE, vdW-DF, Tao, Perdew, Staroverov, and Scuseria functional (TPSS), and Heyd, Scuseria, and Ernzerhof (HSE06) functional in the plane wave formalism. Among the five tested functionals, nonlocal vdW-DF and meta-GGA TPSS functionals are most successful in describing energetics of dinitrogen physisorption to the Rh(111) surface, while the PBE functional provides the correct chemisorption energy for the hydrogen atom. It was also found that TPSS functional produces the best vibrational spectra of the nitrogen molecule and the hydrogen atom on rhodium within the harmonic formalism with the error of -2.62 and -1.1% for the N-N stretching and Rh-H stretching frequency. Thus, TPSS functional was proposed as a method of choice for obtaining vibrational spectra of low weight adsorbates on metallic surfaces within the harmonic approximation. At the anharmonic level, by decoupling the Rh-H and N-N stretching modes from the bulk phonons and by solving one- and two-dimensional Schrödinger equation associated with the Rh-H, Rh-N, and N-N potential energy we calculated the anharmonic correction for N-N and Rh-H stretching modes as -31 cm(-1) and -77 cm(-1) at PBE level. Anharmonic vibrational frequencies calculated with the use of the hybrid HSE06 function are in best agreement with available experiments. PMID:25164265

  15. Applicability of Density Functional Theory in Reproducing Accurate Vibrational Spectra of Surface Bound Species

    SciTech Connect

    Matanovic, Ivana; Atanassov, Plamen; Kiefer, Boris; Garzon, Fernando; Henson, Neil J.

    2014-10-05

    The structural equilibrium parameters, the adsorption energies, and the vibrational frequencies of the nitrogen molecule and the hydrogen atom adsorbed on the (111) surface of rhodium have been investigated using different generalized-gradient approximation (GGA), nonlocal correlation, meta-GGA, and hybrid functionals, namely, Perdew, Burke, and Ernzerhof (PBE), Revised-RPBE, vdW-DF, Tao, Perdew, Staroverov, and Scuseria functional (TPSS), and Heyd, Scuseria, and Ernzerhof (HSE06) functional in the plane wave formalism. Among the five tested functionals, nonlocal vdW-DF and meta-GGA TPSS functionals are most successful in describing energetics of dinitrogen physisorption to the Rh(111) surface, while the PBE functional provides the correct chemisorption energy for the hydrogen atom. It was also found that TPSS functional produces the best vibrational spectra of the nitrogen molecule and the hydrogen atom on rhodium within the harmonic formalism with the error of 22.62 and 21.1% for the NAN stretching and RhAH stretching frequency. Thus, TPSS functional was proposed as a method of choice for obtaining vibrational spectra of low weight adsorbates on metallic surfaces within the harmonic approximation. At the anharmonic level, by decoupling the RhAH and NAN stretching modes from the bulk phonons and by solving one- and two-dimensional Schr€odinger equation associated with the RhAH, RhAN, and NAN potential energy we calculated the anharmonic correction for NAN and RhAH stretching modes as 231 cm21 and 277 cm21 at PBE level. Anharmonic vibrational frequencies calculated with the use of the hybrid HSE06 function are in best agreement with available experiments.

  16. Carbon monoxide total column retrievals from TROPOMI shortwave infrared measurements

    NASA Astrophysics Data System (ADS)

    Landgraf, Jochen; aan de Brugh, Joost; Scheepmaker, Remco; Borsdorff, Tobias; Hu, Haili; Houweling, Sander; Butz, Andre; Aben, Ilse; Hasekamp, Otto

    2016-10-01

    The Tropospheric Monitoring Instrument (TROPOMI) spectrometer is the single payload of the Copernicus Sentinel 5 Precursor (S5P) mission. It measures Earth radiance spectra in the shortwave infrared spectral range around 2.3 µm with a dedicated instrument module. These measurements provide carbon monoxide (CO) total column densities over land, which for clear sky conditions are highly sensitive to the tropospheric boundary layer. For cloudy atmospheres over land and ocean, the column sensitivity changes according to the light path through the atmosphere. In this study, we present the physics-based operational S5P algorithm to infer atmospheric CO columns satisfying the envisaged accuracy ( < 15 %) and precision ( < 10 %) both for clear sky and cloudy observations with low cloud height. Here, methane absorption in the 2.3 µm range is combined with methane abundances from a global chemical transport model to infer information on atmospheric scattering. For efficient processing, we deploy a linearized two-stream radiative transfer model as forward model and a profile scaling approach to adjust the CO abundance in the inversion. Based on generic measurement ensembles, including clear sky and cloudy observations, we estimated the CO retrieval precision to be ≤ 11 % for surface albedo ≥ 0.03 and solar zenith angle ≤ 70°. CO biases of ≤ 3 % are introduced by inaccuracies in the methane a priori knowledge. For strongly enhanced CO concentrations in the tropospheric boundary layer and for cloudy conditions, CO errors in the order of 8 % can be introduced by the retrieval of cloud parameters of our algorithm. Moreover, we estimated the effect of a distorted spectral instrument response due to the inhomogeneous illumination of the instrument entrance slit in the flight direction to be < 2 % with pseudo-random characteristics when averaging over space and time. Finally, the CO data exploitation is demonstrated for a TROPOMI orbit of simulated shortwave infrared

  17. OH vertical column abundance - Tropical measurements

    NASA Astrophysics Data System (ADS)

    Burnett, Clyde R.; Minschwaner, Kenneth R.; Burnett, Elizabeth B.

    1990-09-01

    Measurements of the vertical column abundance of atmospheric hydroxyl (OH) have been made during the period 1987-1989 at the National Weather Service (NWS) station at Moen, Truk, Federated States of Micronesia (7 deg N, 152 deg E). A total of 384 independent data sets was obtained. Tropical OH abundance levels average about 22 percent above corresponding mid-latitude values, with OH levels during late winter and early spring up to 50 percent above those observed at 40 deg N. Stratospheric wind and temperature data obtained from the daily NWS radiosonde data are examined for correlations with the OH results.

  18. OH vertical column abundance - Tropical measurements

    NASA Technical Reports Server (NTRS)

    Burnett, Clyde R.; Minschwaner, Kenneth R.; Burnett, Elizabeth B.

    1990-01-01

    Measurements of the vertical column abundance of atmospheric hydroxyl (OH) have been made during the period 1987-1989 at the National Weather Service (NWS) station at Moen, Truk, Federated States of Micronesia (7 deg N, 152 deg E). A total of 384 independent data sets was obtained. Tropical OH abundance levels average about 22 percent above corresponding mid-latitude values, with OH levels during late winter and early spring up to 50 percent above those observed at 40 deg N. Stratospheric wind and temperature data obtained from the daily NWS radiosonde data are examined for correlations with the OH results.

  19. Wiring dendrites in layers and columns.

    PubMed

    Luo, Jiangnan; McQueen, Philip G; Shi, Bo; Lee, Chi-Hon; Ting, Chun-Yuan

    2016-06-01

    The most striking structure in the nervous system is the complex yet stereotyped morphology of the neuronal dendritic tree. Dendritic morphologies and the connections they make govern information flow and integration in the brain. The fundamental mechanisms that regulate dendritic outgrowth and branching are subjects of extensive study. In this review, we summarize recent advances in the molecular and cellular mechanisms for routing dendrites in layers and columns, prevalent organizational structures in the brain. We highlight how dendritic patterning influences the formation of synaptic circuits. PMID:27315108

  20. Growing Cobalt Silicide Columns In Silicon

    NASA Technical Reports Server (NTRS)

    Fathauer, Obert W.

    1991-01-01

    Codeposition by molecular-beam epitaxy yields variety of structures. Proposed fabrication process produces three-dimensional nanometer-sized structures on silicon wafers. Enables control of dimensions of metal and semiconductor epitaxial layers in three dimensions instead of usual single dimension (perpendicular to the plane of the substrate). Process used to make arrays of highly efficient infrared sensors, high-speed transistors, and quantum wires. For fabrication of electronic devices, both shapes and locations of columns controlled. One possible technique for doing this electron-beam lithography, see "Making Submicron CoSi2 Structures on Silicon Substrates" (NPO-17736).

  1. Accurately Mapping M31's Microlensing Population

    NASA Astrophysics Data System (ADS)

    Crotts, Arlin

    2004-07-01

    We propose to augment an existing microlensing survey of M31 with source identifications provided by a modest amount of ACS {and WFPC2 parallel} observations to yield an accurate measurement of the masses responsible for microlensing in M31, and presumably much of its dark matter. The main benefit of these data is the determination of the physical {or "einstein"} timescale of each microlensing event, rather than an effective {"FWHM"} timescale, allowing masses to be determined more than twice as accurately as without HST data. The einstein timescale is the ratio of the lensing cross-sectional radius and relative velocities. Velocities are known from kinematics, and the cross-section is directly proportional to the {unknown} lensing mass. We cannot easily measure these quantities without knowing the amplification, hence the baseline magnitude, which requires the resolution of HST to find the source star. This makes a crucial difference because M31 lens m ass determinations can be more accurate than those towards the Magellanic Clouds through our Galaxy's halo {for the same number of microlensing events} due to the better constrained geometry in the M31 microlensing situation. Furthermore, our larger survey, just completed, should yield at least 100 M31 microlensing events, more than any Magellanic survey. A small amount of ACS+WFPC2 imaging will deliver the potential of this large database {about 350 nights}. For the whole survey {and a delta-function mass distribution} the mass error should approach only about 15%, or about 6% error in slope for a power-law distribution. These results will better allow us to pinpoint the lens halo fraction, and the shape of the halo lens spatial distribution, and allow generalization/comparison of the nature of halo dark matter in spiral galaxies. In addition, we will be able to establish the baseline magnitude for about 50, 000 variable stars, as well as measure an unprecedentedly deta iled color-magnitude diagram and luminosity

  2. Accurate upwind methods for the Euler equations

    NASA Technical Reports Server (NTRS)

    Huynh, Hung T.

    1993-01-01

    A new class of piecewise linear methods for the numerical solution of the one-dimensional Euler equations of gas dynamics is presented. These methods are uniformly second-order accurate, and can be considered as extensions of Godunov's scheme. With an appropriate definition of monotonicity preservation for the case of linear convection, it can be shown that they preserve monotonicity. Similar to Van Leer's MUSCL scheme, they consist of two key steps: a reconstruction step followed by an upwind step. For the reconstruction step, a monotonicity constraint that preserves uniform second-order accuracy is introduced. Computational efficiency is enhanced by devising a criterion that detects the 'smooth' part of the data where the constraint is redundant. The concept and coding of the constraint are simplified by the use of the median function. A slope steepening technique, which has no effect at smooth regions and can resolve a contact discontinuity in four cells, is described. As for the upwind step, existing and new methods are applied in a manner slightly different from those in the literature. These methods are derived by approximating the Euler equations via linearization and diagonalization. At a 'smooth' interface, Harten, Lax, and Van Leer's one intermediate state model is employed. A modification for this model that can resolve contact discontinuities is presented. Near a discontinuity, either this modified model or a more accurate one, namely, Roe's flux-difference splitting. is used. The current presentation of Roe's method, via the conceptually simple flux-vector splitting, not only establishes a connection between the two splittings, but also leads to an admissibility correction with no conditional statement, and an efficient approximation to Osher's approximate Riemann solver. These reconstruction and upwind steps result in schemes that are uniformly second-order accurate and economical at smooth regions, and yield high resolution at discontinuities.

  3. Accurate measurement of unsteady state fluid temperature

    NASA Astrophysics Data System (ADS)

    Jaremkiewicz, Magdalena

    2016-07-01

    In this paper, two accurate methods for determining the transient fluid temperature were presented. Measurements were conducted for boiling water since its temperature is known. At the beginning the thermometers are at the ambient temperature and next they are immediately immersed into saturated water. The measurements were carried out with two thermometers of different construction but with the same housing outer diameter equal to 15 mm. One of them is a K-type industrial thermometer widely available commercially. The temperature indicated by the thermometer was corrected considering the thermometers as the first or second order inertia devices. The new design of a thermometer was proposed and also used to measure the temperature of boiling water. Its characteristic feature is a cylinder-shaped housing with the sheath thermocouple located in its center. The temperature of the fluid was determined based on measurements taken in the axis of the solid cylindrical element (housing) using the inverse space marching method. Measurements of the transient temperature of the air flowing through the wind tunnel using the same thermometers were also carried out. The proposed measurement technique provides more accurate results compared with measurements using industrial thermometers in conjunction with simple temperature correction using the inertial thermometer model of the first or second order. By comparing the results, it was demonstrated that the new thermometer allows obtaining the fluid temperature much faster and with higher accuracy in comparison to the industrial thermometer. Accurate measurements of the fast changing fluid temperature are possible due to the low inertia thermometer and fast space marching method applied for solving the inverse heat conduction problem.

  4. The first accurate description of an aurora

    NASA Astrophysics Data System (ADS)

    Schröder, Wilfried

    2006-12-01

    As technology has advanced, the scientific study of auroral phenomena has increased by leaps and bounds. A look back at the earliest descriptions of aurorae offers an interesting look into how medieval scholars viewed the subjects that we study.Although there are earlier fragmentary references in the literature, the first accurate description of the aurora borealis appears to be that published by the German Catholic scholar Konrad von Megenberg (1309-1374) in his book Das Buch der Natur (The Book of Nature). The book was written between 1349 and 1350.

  5. New law requires 'medically accurate' lesson plans.

    PubMed

    1999-09-17

    The California Legislature has passed a bill requiring all textbooks and materials used to teach about AIDS be medically accurate and objective. Statements made within the curriculum must be supported by research conducted in compliance with scientific methods, and published in peer-reviewed journals. Some of the current lesson plans were found to contain scientifically unsupported and biased information. In addition, the bill requires material to be "free of racial, ethnic, or gender biases." The legislation is supported by a wide range of interests, but opposed by the California Right to Life Education Fund, because they believe it discredits abstinence-only material.

  6. New law requires 'medically accurate' lesson plans.

    PubMed

    1999-09-17

    The California Legislature has passed a bill requiring all textbooks and materials used to teach about AIDS be medically accurate and objective. Statements made within the curriculum must be supported by research conducted in compliance with scientific methods, and published in peer-reviewed journals. Some of the current lesson plans were found to contain scientifically unsupported and biased information. In addition, the bill requires material to be "free of racial, ethnic, or gender biases." The legislation is supported by a wide range of interests, but opposed by the California Right to Life Education Fund, because they believe it discredits abstinence-only material. PMID:11366835

  7. Universality: Accurate Checks in Dyson's Hierarchical Model

    NASA Astrophysics Data System (ADS)

    Godina, J. J.; Meurice, Y.; Oktay, M. B.

    2003-06-01

    In this talk we present high-accuracy calculations of the susceptibility near βc for Dyson's hierarchical model in D = 3. Using linear fitting, we estimate the leading (γ) and subleading (Δ) exponents. Independent estimates are obtained by calculating the first two eigenvalues of the linearized renormalization group transformation. We found γ = 1.29914073 ± 10 -8 and, Δ = 0.4259469 ± 10-7 independently of the choice of local integration measure (Ising or Landau-Ginzburg). After a suitable rescaling, the approximate fixed points for a large class of local measure coincide accurately with a fixed point constructed by Koch and Wittwer.

  8. Research on Configurations of Thermally Integrated Distillation Column(TIDC)

    NASA Astrophysics Data System (ADS)

    Sun, Lanyi; Li, Jun; Liu, Xuenuan; Li, Qingsong

    Taking a C3 distillation column as the base case, possible configurations for Thermally Integrated Distillation Columns (TIDC) are proposed and compared to a conventional column and a column with a vapor recompression system (VRC). Thermal efficiency of the TIDC appears to be strongly sensitive to column configuration and a highly efficient asymmetrical configuration with stripping section stages thermally interconnected with the same number of stages in the upper part of the rectifying section emerges as the most promising option. The relationships among pressure ratio of rectifying section to stripping section and energy consumption were also discussed.

  9. 9. Detail view of columns on first floor. This row ...

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

    9. Detail view of columns on first floor. This row of columns indicates the former location of the exterior mill wall before World War II era expansion. The unusual column and beam connection was a key part of the mill structural system patented by Providence, Rhode Island engineers Charles Praray and Charles Makepeace in 1894. Each column was originally located in the apex of triangular window bay, but not connected to the exterior wall. Modifications on the right side of each column support the beams of the addition. - Dixie Cotton Mill, 710 Greenville Street, La Grange, Troup County, GA

  10. Development of a simple column electrode for sensitive and rapid coulometry.

    PubMed

    Kasuno, Megumi; Morishima, Katsuki; Matsushita, Takayuki; Kihara, Sorin

    2009-07-01

    A simple column electrode, S-CE, with a glassy carbon fibers working electrode stuffed into a Teflon tube was developed. The current-potential curves for the reductions of [Fe(CN)(6)](3-) and Fe(3+) observed at the S-CE were analyzed based on a theory for those at an ordinary column electrode. A quantitative electrolysis was performed at the S-CE rapidly within 20 s. An accurate and precise coulometric determination could be attained at the S-CE even with a fairly dilute solution. For example, coulometric reductions of 5 x 10(-5) and 5 x 10(-6) M Fe(3+) were attained with efficiencies (n = 5) of 99.7 +/- 0.2 and 101.9 +/- 1.1%, respectively.

  11. Performance of single particle fritted capillary columns in electrochromatography.

    PubMed

    Zhang, Bo; Liu, Qing; Yang, Lijun; Wang, Qiuquan

    2013-01-11

    Development of capillary electrochromatography (CEC) largely depends on column technology. The past ten years or so have seen a great number of CEC works performed on monolithic columns, due to simplicity and robustness in column fabrication. Monolithic columns eliminate the issue of column fritting, which conventionally made particle-packed capillary columns fragile and introduced nonuniformity to the chromatographic bed. The particulate packing material, however, is still a popular type of stationary phase widely used in CEC, as the rich library of HPLC packing material provides a wide range of choices for chromatographic separations performed in electrodriven mode. In this study, we investigated a purely physical fritting method, single particle fritting technology, to immobilize particulate chromatographic material inside capillary tube in a sinter-free manner to produce robust capillary columns. Single particle fritted columns present significantly improved column-to-column reproducibility (n=10) in peak efficiency, retention factor, peak area and asymmetry (%RSD=5.4, 7.7, 6.2 and 6.1, respectively, at 26 kV), enabling their practical application in high throughput parallel analysis using multiple columns.

  12. Lindane biodegradation in groundwater using semi-continuous soil columns

    SciTech Connect

    LaPat-Polasko, L.T.; Lazarr, N.C.; Reker, M.A.

    1995-12-31

    To evaluate the potential for bioremediation of various isomers of benzene hexachloride (BHC) including lindane (gamma BHC)-contaminated groundwater, a bench-scale study was conducted using site groundwater and soil collected from a chemical manufacturing facility located in southwest Missouri. Three soil columns were prepared to evaluate various conditions under which contaminant biodegredation is known to occur: Column 1 (the hydrogen peroxide and nutrient column) received site groundwater, hydrogen peroxide (an oxygen source to promote aerobic conditions) and ammonium polyphosphate (nutrients); Column 2 received site groundwater, nutrients and sodium sulfite (a reductant to promote anaerobic conditions); and Column 3 received the same amendments as Column 1 but under sterile conditions. Column 3 was used to evaluate abiotic losses of contaminants. The indigenous soil and/or groundwater microbial population removed more than 99 percent of the BHC isomers present in the hydrogen peroxide and nutrient column influent in 24 hours. Abiotic losses of contaminants were less than 20 percent after initial column exchanges based on the results of sterile column data. Anaerobic conditions were not as conducive to contaminant degradation. During the 24-hour exchange periods, less than 80 percent BHC removal was observed in the groundwater effluents from the anaerobic column.

  13. Towards a generic variable column length method development strategy for samples with a large variety in polarity.

    PubMed

    Cabooter, Deirdre; Choikhet, Konstantin; Lestremau, François; Dittmann, Monika; Desmet, Gert

    2014-11-12

    The development of a novel set-up for the sequential analysis of compounds with a large variety in polarity on HILIC and reversed-phase columns, coupled in series, is discussed. For this purpose, a commercially available ultra-high performance LC system, equipped with two switching valves is employed. The switching valves allow connecting the HILIC and reversed-phase columns either in series or in parallel to the system. An interface to couple the HILIC and reversed-phase columns is developed and optimized. The sample is first injected onto a HILIC column. Apolar compounds in the sample are not retained and will elute close to or within the void volume of the HILIC column. Accurate switching of the valves allows redirecting these compounds towards a trap loop while more polar compounds are retained and separated on the HILIC column. After separation and detection of the polar compounds, the configuration of the valves is switched again to direct the apolar compounds from the trap loop towards a reversed-phase column for separation. To deal with the incompatibility of the mobile phases of HILIC and reversed-phase column separations, commercially available Jet weaver mixers are included in the set-up to allow for an intermediate solvent exchange. The proof-of-concept is demonstrated for the analysis of pharmaceuticals that can be found in waste water and surface water. It is demonstrated that the set-up provides robust analyses with peak capacities that are intermediate to one-dimensional and two-dimensional separations.

  14. Accurate shear measurement with faint sources

    SciTech Connect

    Zhang, Jun; Foucaud, Sebastien; Luo, Wentao E-mail: walt@shao.ac.cn

    2015-01-01

    For cosmic shear to become an accurate cosmological probe, systematic errors in the shear measurement method must be unambiguously identified and corrected for. Previous work of this series has demonstrated that cosmic shears can be measured accurately in Fourier space in the presence of background noise and finite pixel size, without assumptions on the morphologies of galaxy and PSF. The remaining major source of error is source Poisson noise, due to the finiteness of source photon number. This problem is particularly important for faint galaxies in space-based weak lensing measurements, and for ground-based images of short exposure times. In this work, we propose a simple and rigorous way of removing the shear bias from the source Poisson noise. Our noise treatment can be generalized for images made of multiple exposures through MultiDrizzle. This is demonstrated with the SDSS and COSMOS/ACS data. With a large ensemble of mock galaxy images of unrestricted morphologies, we show that our shear measurement method can achieve sub-percent level accuracy even for images of signal-to-noise ratio less than 5 in general, making it the most promising technique for cosmic shear measurement in the ongoing and upcoming large scale galaxy surveys.

  15. Accurate determination of characteristic relative permeability curves

    NASA Astrophysics Data System (ADS)

    Krause, Michael H.; Benson, Sally M.

    2015-09-01

    A recently developed technique to accurately characterize sub-core scale heterogeneity is applied to investigate the factors responsible for flowrate-dependent effective relative permeability curves measured on core samples in the laboratory. The dependency of laboratory measured relative permeability on flowrate has long been both supported and challenged by a number of investigators. Studies have shown that this apparent flowrate dependency is a result of both sub-core scale heterogeneity and outlet boundary effects. However this has only been demonstrated numerically for highly simplified models of porous media. In this paper, flowrate dependency of effective relative permeability is demonstrated using two rock cores, a Berea Sandstone and a heterogeneous sandstone from the Otway Basin Pilot Project in Australia. Numerical simulations of steady-state coreflooding experiments are conducted at a number of injection rates using a single set of input characteristic relative permeability curves. Effective relative permeability is then calculated from the simulation data using standard interpretation methods for calculating relative permeability from steady-state tests. Results show that simplified approaches may be used to determine flowrate-independent characteristic relative permeability provided flow rate is sufficiently high, and the core heterogeneity is relatively low. It is also shown that characteristic relative permeability can be determined at any typical flowrate, and even for geologically complex models, when using accurate three-dimensional models.

  16. How Accurately can we Calculate Thermal Systems?

    SciTech Connect

    Cullen, D; Blomquist, R N; Dean, C; Heinrichs, D; Kalugin, M A; Lee, M; Lee, Y; MacFarlan, R; Nagaya, Y; Trkov, A

    2004-04-20

    I would like to determine how accurately a variety of neutron transport code packages (code and cross section libraries) can calculate simple integral parameters, such as K{sub eff}, for systems that are sensitive to thermal neutron scattering. Since we will only consider theoretical systems, we cannot really determine absolute accuracy compared to any real system. Therefore rather than accuracy, it would be more precise to say that I would like to determine the spread in answers that we obtain from a variety of code packages. This spread should serve as an excellent indicator of how accurately we can really model and calculate such systems today. Hopefully, eventually this will lead to improvements in both our codes and the thermal scattering models that they use in the future. In order to accomplish this I propose a number of extremely simple systems that involve thermal neutron scattering that can be easily modeled and calculated by a variety of neutron transport codes. These are theoretical systems designed to emphasize the effects of thermal scattering, since that is what we are interested in studying. I have attempted to keep these systems very simple, and yet at the same time they include most, if not all, of the important thermal scattering effects encountered in a large, water-moderated, uranium fueled thermal system, i.e., our typical thermal reactors.

  17. A quick accurate model of nozzle backflow

    NASA Technical Reports Server (NTRS)

    Kuharski, R. A.

    1991-01-01

    Backflow from nozzles is a major source of contamination on spacecraft. If the craft contains any exposed high voltages, the neutral density produced by the nozzles in the vicinity of the craft needs to be known in order to assess the possibility of Paschen breakdown or the probability of sheath ionization around a region of the craft that collects electrons for the plasma. A model for backflow has been developed for incorporation into the Environment-Power System Analysis Tool (EPSAT) which quickly estimates both the magnitude of the backflow and the species makeup of the flow. By combining the backflow model with the Simons (1972) model for continuum flow it is possible to quickly estimate the density of each species from a nozzle at any position in space. The model requires only a few physical parameters of the nozzle and the gas as inputs and is therefore ideal for engineering applications.

  18. What is the spatial variability of column NO2? Implications for understanding OH and NOx lifetime

    NASA Astrophysics Data System (ADS)

    Valin, L. C.; Russell, A. R.; Cohen, R. C.

    2011-12-01

    The lifetime of NOx depends strongly on its own concentration via feedback on OH. As a result, the lifetime of NOx depends on the rate at which NOx mixes from a source (100s ppb) to the background (10s-100s ppt). Understanding the NOx lifetime requires an accurate understanding of the spatial scales at which NOx-OH feedbacks are most important. We run WRF-CHEM at 1, 4, 12, 24, and 48 km model resolution over California and over the Four Corners Power plant in New Mexico to determine the model resolution necessary to compute column NO2 to 10%. To compute column NO2 to 10% accuracy, we find that model resolution of 12 km is necessary over urban and area sources while 4 km resolution is necessary over point sources. To assess the observed spatial variability of NO2, we retrieve slant column NO2 from OMI test-phase observations in November 2004 that were sampled every 3 km on the surface and that have a spatial resolution of no greater than 7-9 km (FWHM). We find that slant column NO2 observed over a point source in India is no wider than 9 km as far as 25 km downwind. The same dataset shows that NO2 varies significantly (50-75%) at spatial scales of 12-24 km over Dubai and Seoul. These findings provide further support of model predictions discussed above; accurately capturing NOx-OH feedbacks requires understanding the variability of NO2 at scales of 4 km over a point source and of ~6-12 km over an urban source.

  19. Accurate estimators of correlation functions in Fourier space

    NASA Astrophysics Data System (ADS)

    Sefusatti, E.; Crocce, M.; Scoccimarro, R.; Couchman, H. M. P.

    2016-08-01

    Efficient estimators of Fourier-space statistics for large number of objects rely on fast Fourier transforms (FFTs), which are affected by aliasing from unresolved small-scale modes due to the finite FFT grid. Aliasing takes the form of a sum over images, each of them corresponding to the Fourier content displaced by increasing multiples of the sampling frequency of the grid. These spurious contributions limit the accuracy in the estimation of Fourier-space statistics, and are typically ameliorated by simultaneously increasing grid size and discarding high-frequency modes. This results in inefficient estimates for e.g. the power spectrum when desired systematic biases are well under per cent level. We show that using interlaced grids removes odd images, which include the dominant contribution to aliasing. In addition, we discuss the choice of interpolation kernel used to define density perturbations on the FFT grid and demonstrate that using higher order interpolation kernels than the standard Cloud-In-Cell algorithm results in significant reduction of the remaining images. We show that combining fourth-order interpolation with interlacing gives very accurate Fourier amplitudes and phases of density perturbations. This results in power spectrum and bispectrum estimates that have systematic biases below 0.01 per cent all the way to the Nyquist frequency of the grid, thus maximizing the use of unbiased Fourier coefficients for a given grid size and greatly reducing systematics for applications to large cosmological data sets.

  20. Subvoxel accurate graph search using non-Euclidean graph space.

    PubMed

    Abràmoff, Michael D; Wu, Xiaodong; Lee, Kyungmoo; Tang, Li

    2014-01-01

    Graph search is attractive for the quantitative analysis of volumetric medical images, and especially for layered tissues, because it allows globally optimal solutions in low-order polynomial time. However, because nodes of graphs typically encode evenly distributed voxels of the volume with arcs connecting orthogonally sampled voxels in Euclidean space, segmentation cannot achieve greater precision than a single unit, i.e. the distance between two adjoining nodes, and partial volume effects are ignored. We generalize the graph to non-Euclidean space by allowing non-equidistant spacing between nodes, so that subvoxel accurate segmentation is achievable. Because the number of nodes and edges in the graph remains the same, running time and memory use are similar, while all the advantages of graph search, including global optimality and computational efficiency, are retained. A deformation field calculated from the volume data adaptively changes regional node density so that node density varies with the inverse of the expected cost. We validated our approach using optical coherence tomography (OCT) images of the retina and 3-D MR of the arterial wall, and achieved statistically significant increased accuracy. Our approach allows improved accuracy in volume data acquired with the same hardware, and also, preserved accuracy with lower resolution, more cost-effective, image acquisition equipment. The method is not limited to any specific imaging modality and readily extensible to higher dimensions.

  1. Column flooding and entrainment. [Estimation of maximum allowable vapor velocity and entrainment in a distillation column

    SciTech Connect

    Lygeros, A.I.; Magoulas, K.G.

    1986-12-01

    Here is a way to estimate maximum allowable vapor velocity and entrainment in a distillation column. The method can easily be computerized. It is based on equations derived from the widely accepted correlations. The equation for flooding velocity is applicable to bubble-cup, sieve and valve trays, while the entrainment equation applies only to sieve trays.

  2. Comparison between a spray column and a sieve tray column operating as liquid-liquid heat exchangers

    SciTech Connect

    Keller, A.; Jacobs, H.R.; Boehm, R.F.

    1980-12-01

    The performance of a spray column and a sieve tray column was compared as a liquid-liquid heat exchanger. In carrying out these studies a 15.2 cm (6.0 in.) diameter column, 183 cm (6.0 ft) tall was utilized. The performance of the spray column as a heat exchanger was shown to correlate with the model of Letan-Kehat which has as a basis that the heat transfer is dominated by the wakeshedding characteristics of the drops over much of the column length. This model defines several hydrodynamic zones along the column of which the wake formation zone at the bottom appears to have the most efficient heat transfer. The column was also operated with four perforated plates spaced two column diameters apart in order to take advantage of the wake formation zone heat transfer. The plates induce coalescence of the dispersed phase and reformation of the drops, and thus cause a repetition of the wake formation zone. It is shown that the overall volumetric heat transfer coefficient in a perforated plate column is increased by a minimum of eleven percent over that in a spray column. A hydrodynamic model that predicts the performance of a perforated plate column is suggested.

  3. Maps of current density using density-functional methods

    NASA Astrophysics Data System (ADS)

    Soncini, A.; Teale, A. M.; Helgaker, T.; de Proft, F.; Tozer, D. J.

    2008-08-01

    The performance of several density-functional theory (DFT) methods for the calculation of current densities induced by a uniform magnetic field is examined. Calculations are performed using the BLYP and KT3 generalized-gradient approximations, together with the B3LYP hybrid functional. For the latter, both conventional and optimized effective potential (OEP) approaches are used. Results are also determined from coupled-cluster singles-and-doubles (CCSD) electron densities by a DFT constrained search procedure using the approach of Wu and Yang (WY). The current densities are calculated within the CTOCD-DZ2 distributed origin approach. Comparisons are made with results from Hartree-Fock (HF) theory. Several small molecules for which correlation is known to be especially important in the calculation of magnetic response properties are considered-namely, O3, CO, PN, and H2CO. As examples of aromatic and antiaromatic systems, benzene and planarized cyclooctatetraene molecules are considered, with specific attention paid to the ring current phenomenon and its Kohn-Sham orbital origin. Finally, the o-benzyne molecule is considered as a computationally challenging case. The HF and DFT induced current maps show qualitative differences, while among the DFT methods the maps show a similar qualitative structure. To assess quantitative differences in the calculated current densities with different methods, the maximal moduli of the induced current densities are compared and integration of the current densities to yield shielding constants is performed. In general, the maximal modulus is reduced in moving from HF to B3LYP and BLYP, and further reduced in moving to KT3, OEP(B3LYP), and WY(CCSD). The latter three methods offer the most accurate shielding constants in comparison with both experimental and ab initio data and hence the more reliable route to DFT calculation of induced current density in molecules.

  4. Highly accurate articulated coordinate measuring machine

    DOEpatents

    Bieg, Lothar F.; Jokiel, Jr., Bernhard; Ensz, Mark T.; Watson, Robert D.

    2003-12-30

    Disclosed is a highly accurate articulated coordinate measuring machine, comprising a revolute joint, comprising a circular encoder wheel, having an axis of rotation; a plurality of marks disposed around at least a portion of the circumference of the encoder wheel; bearing means for supporting the encoder wheel, while permitting free rotation of the encoder wheel about the wheel's axis of rotation; and a sensor, rigidly attached to the bearing means, for detecting the motion of at least some of the marks as the encoder wheel rotates; a probe arm, having a proximal end rigidly attached to the encoder wheel, and having a distal end with a probe tip attached thereto; and coordinate processing means, operatively connected to the sensor, for converting the output of the sensor into a set of cylindrical coordinates representing the position of the probe tip relative to a reference cylindrical coordinate system.

  5. Practical aspects of spatially high accurate methods

    NASA Technical Reports Server (NTRS)

    Godfrey, Andrew G.; Mitchell, Curtis R.; Walters, Robert W.

    1992-01-01

    The computational qualities of high order spatially accurate methods for the finite volume solution of the Euler equations are presented. Two dimensional essentially non-oscillatory (ENO), k-exact, and 'dimension by dimension' ENO reconstruction operators are discussed and compared in terms of reconstruction and solution accuracy, computational cost and oscillatory behavior in supersonic flows with shocks. Inherent steady state convergence difficulties are demonstrated for adaptive stencil algorithms. An exact solution to the heat equation is used to determine reconstruction error, and the computational intensity is reflected in operation counts. Standard MUSCL differencing is included for comparison. Numerical experiments presented include the Ringleb flow for numerical accuracy and a shock reflection problem. A vortex-shock interaction demonstrates the ability of the ENO scheme to excel in simulating unsteady high-frequency flow physics.

  6. Toward Accurate and Quantitative Comparative Metagenomics.

    PubMed

    Nayfach, Stephen; Pollard, Katherine S

    2016-08-25

    Shotgun metagenomics and computational analysis are used to compare the taxonomic and functional profiles of microbial communities. Leveraging this approach to understand roles of microbes in human biology and other environments requires quantitative data summaries whose values are comparable across samples and studies. Comparability is currently hampered by the use of abundance statistics that do not estimate a meaningful parameter of the microbial community and biases introduced by experimental protocols and data-cleaning approaches. Addressing these challenges, along with improving study design, data access, metadata standardization, and analysis tools, will enable accurate comparative metagenomics. We envision a future in which microbiome studies are replicable and new metagenomes are easily and rapidly integrated with existing data. Only then can the potential of metagenomics for predictive ecological modeling, well-powered association studies, and effective microbiome medicine be fully realized. PMID:27565341

  7. Apparatus for accurately measuring high temperatures

    DOEpatents

    Smith, Douglas D.

    1985-01-01

    The present invention is a thermometer used for measuring furnace temperaes in the range of about 1800.degree. to 2700.degree. C. The thermometer comprises a broadband multicolor thermal radiation sensor positioned to be in optical alignment with the end of a blackbody sight tube extending into the furnace. A valve-shutter arrangement is positioned between the radiation sensor and the sight tube and a chamber for containing a charge of high pressure gas is positioned between the valve-shutter arrangement and the radiation sensor. A momentary opening of the valve shutter arrangement allows a pulse of the high gas to purge the sight tube of air-borne thermal radiation contaminants which permits the radiation sensor to accurately measure the thermal radiation emanating from the end of the sight tube.

  8. Apparatus for accurately measuring high temperatures

    DOEpatents

    Smith, D.D.

    The present invention is a thermometer used for measuring furnace temperatures in the range of about 1800/sup 0/ to 2700/sup 0/C. The thermometer comprises a broadband multicolor thermal radiation sensor positioned to be in optical alignment with the end of a blackbody sight tube extending into the furnace. A valve-shutter arrangement is positioned between the radiation sensor and the sight tube and a chamber for containing a charge of high pressure gas is positioned between the valve-shutter arrangement and the radiation sensor. A momentary opening of the valve shutter arrangement allows a pulse of the high gas to purge the sight tube of air-borne thermal radiation contaminants which permits the radiation sensor to accurately measure the thermal radiation emanating from the end of the sight tube.

  9. Micron Accurate Absolute Ranging System: Range Extension

    NASA Technical Reports Server (NTRS)

    Smalley, Larry L.; Smith, Kely L.

    1999-01-01

    The purpose of this research is to investigate Fresnel diffraction as a means of obtaining absolute distance measurements with micron or greater accuracy. It is believed that such a system would prove useful to the Next Generation Space Telescope (NGST) as a non-intrusive, non-contact measuring system for use with secondary concentrator station-keeping systems. The present research attempts to validate past experiments and develop ways to apply the phenomena of Fresnel diffraction to micron accurate measurement. This report discusses past research on the phenomena, and the basis of the use Fresnel diffraction distance metrology. The apparatus used in the recent investigations, experimental procedures used, preliminary results are discussed in detail. Continued research and equipment requirements on the extension of the effective range of the Fresnel diffraction systems is also described.

  10. Accurate metacognition for visual sensory memory representations.

    PubMed

    Vandenbroucke, Annelinde R E; Sligte, Ilja G; Barrett, Adam B; Seth, Anil K; Fahrenfort, Johannes J; Lamme, Victor A F

    2014-04-01

    The capacity to attend to multiple objects in the visual field is limited. However, introspectively, people feel that they see the whole visual world at once. Some scholars suggest that this introspective feeling is based on short-lived sensory memory representations, whereas others argue that the feeling of seeing more than can be attended to is illusory. Here, we investigated this phenomenon by combining objective memory performance with subjective confidence ratings during a change-detection task. This allowed us to compute a measure of metacognition--the degree of knowledge that subjects have about the correctness of their decisions--for different stages of memory. We show that subjects store more objects in sensory memory than they can attend to but, at the same time, have similar metacognition for sensory memory and working memory representations. This suggests that these subjective impressions are not an illusion but accurate reflections of the richness of visual perception.

  11. Accurate Thermal Stresses for Beams: Normal Stress

    NASA Technical Reports Server (NTRS)

    Johnson, Theodore F.; Pilkey, Walter D.

    2003-01-01

    Formulations for a general theory of thermoelasticity to generate accurate thermal stresses for structural members of aeronautical vehicles were developed in 1954 by Boley. The formulation also provides three normal stresses and a shear stress along the entire length of the beam. The Poisson effect of the lateral and transverse normal stresses on a thermally loaded beam is taken into account in this theory by employing an Airy stress function. The Airy stress function enables the reduction of the three-dimensional thermal stress problem to a two-dimensional one. Numerical results from the general theory of thermoelasticity are compared to those obtained from strength of materials. It is concluded that the theory of thermoelasticity for prismatic beams proposed in this paper can be used instead of strength of materials when precise stress results are desired.

  12. Accurate Thermal Stresses for Beams: Normal Stress

    NASA Technical Reports Server (NTRS)

    Johnson, Theodore F.; Pilkey, Walter D.

    2002-01-01

    Formulations for a general theory of thermoelasticity to generate accurate thermal stresses for structural members of aeronautical vehicles were developed in 1954 by Boley. The formulation also provides three normal stresses and a shear stress along the entire length of the beam. The Poisson effect of the lateral and transverse normal stresses on a thermally loaded beam is taken into account in this theory by employing an Airy stress function. The Airy stress function enables the reduction of the three-dimensional thermal stress problem to a two-dimensional one. Numerical results from the general theory of thermoelasticity are compared to those obtained from strength of materials. It is concluded that the theory of thermoelasticity for prismatic beams proposed in this paper can be used instead of strength of materials when precise stress results are desired.

  13. Accurate metacognition for visual sensory memory representations.

    PubMed

    Vandenbroucke, Annelinde R E; Sligte, Ilja G; Barrett, Adam B; Seth, Anil K; Fahrenfort, Johannes J; Lamme, Victor A F

    2014-04-01

    The capacity to attend to multiple objects in the visual field is limited. However, introspectively, people feel that they see the whole visual world at once. Some scholars suggest that this introspective feeling is based on short-lived sensory memory representations, whereas others argue that the feeling of seeing more than can be attended to is illusory. Here, we investigated this phenomenon by combining objective memory performance with subjective confidence ratings during a change-detection task. This allowed us to compute a measure of metacognition--the degree of knowledge that subjects have about the correctness of their decisions--for different stages of memory. We show that subjects store more objects in sensory memory than they can attend to but, at the same time, have similar metacognition for sensory memory and working memory representations. This suggests that these subjective impressions are not an illusion but accurate reflections of the richness of visual perception. PMID:24549293

  14. Accurate Telescope Mount Positioning with MEMS Accelerometers

    NASA Astrophysics Data System (ADS)

    Mészáros, L.; Jaskó, A.; Pál, A.; Csépány, G.

    2014-08-01

    This paper describes the advantages and challenges of applying microelectromechanical accelerometer systems (MEMS accelerometers) in order to attain precise, accurate, and stateless positioning of telescope mounts. This provides a completely independent method from other forms of electronic, optical, mechanical or magnetic feedback or real-time astrometry. Our goal is to reach the subarcminute range which is considerably smaller than the field-of-view of conventional imaging telescope systems. Here we present how this subarcminute accuracy can be achieved with very cheap MEMS sensors and we also detail how our procedures can be extended in order to attain even finer measurements. In addition, our paper discusses how can a complete system design be implemented in order to be a part of a telescope control system.

  15. Toward Accurate and Quantitative Comparative Metagenomics

    PubMed Central

    Nayfach, Stephen; Pollard, Katherine S.

    2016-01-01

    Shotgun metagenomics and computational analysis are used to compare the taxonomic and functional profiles of microbial communities. Leveraging this approach to understand roles of microbes in human biology and other environments requires quantitative data summaries whose values are comparable across samples and studies. Comparability is currently hampered by the use of abundance statistics that do not estimate a meaningful parameter of the microbial community and biases introduced by experimental protocols and data-cleaning approaches. Addressing these challenges, along with improving study design, data access, metadata standardization, and analysis tools, will enable accurate comparative metagenomics. We envision a future in which microbiome studies are replicable and new metagenomes are easily and rapidly integrated with existing data. Only then can the potential of metagenomics for predictive ecological modeling, well-powered association studies, and effective microbiome medicine be fully realized. PMID:27565341

  16. Column properties and flow profiles of a flat, wide column for high-pressure liquid chromatography

    SciTech Connect

    Mriziq, Khaled S; Guiochon, Georges A

    2008-01-01

    The design and the construction of a pressurized, flat, wide column for high-performance liquid chromatography (HPLC) are described. This apparatus, which is derived from instruments that implement over-pressured thin layer chromatography, can carry out only uni-dimensional chromatographic separations. However, it is intended to be the first step in the development of more powerful instruments that will be able to carry out two-dimensional chromatographic separations, in which case, the first separation would be a space-based separation, LC{sup x}, taking place along one side of the bed and the second separation would be a time-based separation, LC{sup t}, as in classical HPLC but proceeding along the flat column, not along a tube. The apparatus described consists of a pressurization chamber made of a Plexiglas block and a column chamber made of stainless steel. These two chambers are separated by a thin Mylar membrane. The column chamber is a cavity which is filled with a thick layer (ca. 1 mm) of the stationary phase. Suitable solvent inlet and outlet ports are located on two opposite sides of the sorbent layer. The design allows the preparation of a homogenous sorbent layer suitable to be used as a chromatographic column, the achievement of effective seals of the stationary phase layer against the chamber edges, and the homogenous flow of the mobile phase along the chamber. The entire width of the sorbent layer area can be used to develop separations or elute samples. The reproducible performance of the apparatus is demonstrated by the chromatographic separations of different dyes. This instrument is essentially designed for testing detector arrays to be used in a two-dimensional LC{sup x} x LC{sup t} instrument. The further development of two-dimension separation chromatographs based on the apparatus described is sketched.

  17. The importance of accurate atmospheric modeling

    NASA Astrophysics Data System (ADS)

    Payne, Dylan; Schroeder, John; Liang, Pang

    2014-11-01

    This paper will focus on the effect of atmospheric conditions on EO sensor performance using computer models. We have shown the importance of accurately modeling atmospheric effects for predicting the performance of an EO sensor. A simple example will demonstrated how real conditions for several sites in China will significantly impact on image correction, hyperspectral imaging, and remote sensing. The current state-of-the-art model for computing atmospheric transmission and radiance is, MODTRAN® 5, developed by the US Air Force Research Laboratory and Spectral Science, Inc. Research by the US Air Force, Navy and Army resulted in the public release of LOWTRAN 2 in the early 1970's. Subsequent releases of LOWTRAN and MODTRAN® have continued until the present. Please verify that (1) all pages are present, (2) all figures are correct, (3) all fonts and special characters are correct, and (4) all text and figures fit within the red margin lines shown on this review document. Complete formatting information is available at http://SPIE.org/manuscripts Return to the Manage Active Submissions page at http://spie.org/submissions/tasks.aspx and approve or disapprove this submission. Your manuscript will not be published without this approval. Please contact author_help@spie.org with any questions or concerns. The paper will demonstrate the importance of using validated models and local measured meteorological, atmospheric and aerosol conditions to accurately simulate the atmospheric transmission and radiance. Frequently default conditions are used which can produce errors of as much as 75% in these values. This can have significant impact on remote sensing applications.

  18. Accurate Weather Forecasting for Radio Astronomy

    NASA Astrophysics Data System (ADS)

    Maddalena, Ronald J.

    2010-01-01

    The NRAO Green Bank Telescope routinely observes at wavelengths from 3 mm to 1 m. As with all mm-wave telescopes, observing conditions depend upon the variable atmospheric water content. The site provides over 100 days/yr when opacities are low enough for good observing at 3 mm, but winds on the open-air structure reduce the time suitable for 3-mm observing where pointing is critical. Thus, to maximum productivity the observing wavelength needs to match weather conditions. For 6 years the telescope has used a dynamic scheduling system (recently upgraded; www.gb.nrao.edu/DSS) that requires accurate multi-day forecasts for winds and opacities. Since opacity forecasts are not provided by the National Weather Services (NWS), I have developed an automated system that takes available forecasts, derives forecasted opacities, and deploys the results on the web in user-friendly graphical overviews (www.gb.nrao.edu/ rmaddale/Weather). The system relies on the "North American Mesoscale" models, which are updated by the NWS every 6 hrs, have a 12 km horizontal resolution, 1 hr temporal resolution, run to 84 hrs, and have 60 vertical layers that extend to 20 km. Each forecast consists of a time series of ground conditions, cloud coverage, etc, and, most importantly, temperature, pressure, humidity as a function of height. I use the Liebe's MWP model (Radio Science, 20, 1069, 1985) to determine the absorption in each layer for each hour for 30 observing wavelengths. Radiative transfer provides, for each hour and wavelength, the total opacity and the radio brightness of the atmosphere, which contributes substantially at some wavelengths to Tsys and the observational noise. Comparisons of measured and forecasted Tsys at 22.2 and 44 GHz imply that the forecasted opacities are good to about 0.01 Nepers, which is sufficient for forecasting and accurate calibration. Reliability is high out to 2 days and degrades slowly for longer-range forecasts.

  19. The high cost of accurate knowledge.

    PubMed

    Sutcliffe, Kathleen M; Weber, Klaus

    2003-05-01

    Many business thinkers believe it's the role of senior managers to scan the external environment to monitor contingencies and constraints, and to use that precise knowledge to modify the company's strategy and design. As these thinkers see it, managers need accurate and abundant information to carry out that role. According to that logic, it makes sense to invest heavily in systems for collecting and organizing competitive information. Another school of pundits contends that, since today's complex information often isn't precise anyway, it's not worth going overboard with such investments. In other words, it's not the accuracy and abundance of information that should matter most to top executives--rather, it's how that information is interpreted. After all, the role of senior managers isn't just to make decisions; it's to set direction and motivate others in the face of ambiguities and conflicting demands. Top executives must interpret information and communicate those interpretations--they must manage meaning more than they must manage information. So which of these competing views is the right one? Research conducted by academics Sutcliffe and Weber found that how accurate senior executives are about their competitive environments is indeed less important for strategy and corresponding organizational changes than the way in which they interpret information about their environments. Investments in shaping those interpretations, therefore, may create a more durable competitive advantage than investments in obtaining and organizing more information. And what kinds of interpretations are most closely linked with high performance? Their research suggests that high performers respond positively to opportunities, yet they aren't overconfident in their abilities to take advantage of those opportunities.

  20. Heat Transfer Analysis for a Fixed CST Column

    SciTech Connect

    Lee, S.Y.

    2004-02-19

    In support of a small column ion exchange (SCIX) process for the Savannah River Site waste processing program, a transient two-dimensional heat transfer model that includes the conduction process neglecting the convection cooling mechanism inside the crystalline silicotitanate (CST) column has been constructed and heat transfer calculations made for the present design configurations. For this situation, a no process flow condition through the column was assumed as one of the reference conditions for the simulation of a loss-of-flow accident. A series of the modeling calculations has been performed using a computational heat transfer approach. Results for the baseline model indicate that transit times to reach 130 degrees Celsius maximum temperature of the CST-salt solution column are about 96 hours when the 20-in CST column with 300 Ci/liter heat generation source and 25 degrees Celsius initial column temperature is cooled by natural convection of external air as a primary heat transfer mechanism. The modeling results for the 28-in column equipped with water jacket systems on the external wall surface of the column and water coolant pipe at the center of the CST column demonstrate that the column loaded with 300 Ci/liter heat source can be maintained non-boiling indefinitely. Sensitivity calculations for several alternate column sizes, heat loads of the packed column, engineered cooling systems, and various ambient conditions at the exterior wall of the column have been performed under the reference conditions of the CST-salt solution to assess the impact of those parameters on the peak temperatures of the packed column for a given transient time. The results indicate that a water-coolant pipe at the center of the CST column filled with salt solution is the most effective one among the potential design parameters related to the thermal energy dissipation of decay heat load. It is noted that the cooling mechanism at the wall boundary of the column has significant