Steady-state unbalance response of a three-disk flexible rotor on flexible, damped supports

NASA Technical Reports Server (NTRS)

Cunningham, R. E.

1977-01-01

Experimental data are presented for the unbalance response of a flexible, ball bearing supported rotor to speeds above the third lateral bending critical. Values of squeeze film damping coefficients obtained from measured data are compared to theoretical values obtained from short bearing approximation over a frequency range from 5000 to 31 000 cycles/min. Experimental response for an undamped rotor is compared to that of one having oil squeeze film dampers at the bearings. Unbalance applied varied from 0.62 to 15.1 gm-cm.

Critical analysis of adsorption data statistically

NASA Astrophysics Data System (ADS)

Kaushal, Achla; Singh, S. K.

2017-10-01

Experimental data can be presented, computed, and critically analysed in a different way using statistics. A variety of statistical tests are used to make decisions about the significance and validity of the experimental data. In the present study, adsorption was carried out to remove zinc ions from contaminated aqueous solution using mango leaf powder. The experimental data was analysed statistically by hypothesis testing applying t test, paired t test and Chi-square test to (a) test the optimum value of the process pH, (b) verify the success of experiment and (c) study the effect of adsorbent dose in zinc ion removal from aqueous solutions. Comparison of calculated and tabulated values of t and χ 2 showed the results in favour of the data collected from the experiment and this has been shown on probability charts. K value for Langmuir isotherm was 0.8582 and m value for Freundlich adsorption isotherm obtained was 0.725, both are <1, indicating favourable isotherms. Karl Pearson's correlation coefficient values for Langmuir and Freundlich adsorption isotherms were obtained as 0.99 and 0.95 respectively, which show higher degree of correlation between the variables. This validates the data obtained for adsorption of zinc ions from the contaminated aqueous solution with the help of mango leaf powder.

Analysis on Experimental Investigation and Mathematical Modeling of Incompressible Flow Through Ceramic Foam Filters

NASA Astrophysics Data System (ADS)

Akbarnejad, Shahin; Jonsson, Lage Tord Ingemar; Kennedy, Mark William; Aune, Ragnhild Elizabeth; Jönsson, Pӓr Göran

2016-08-01

This paper presents experimental results of pressure drop measurements on 30, 50, and 80 pores per inch (PPI) commercial alumina ceramic foam filters (CFF) and compares the obtained pressure drop profiles to numerically modeled values. In addition, it is aimed at investigating the adequacy of the mathematical correlations used in the analytical and the computational fluid dynamics (CFD) simulations. It is shown that the widely used correlations for predicting pressure drop in porous media continuously under-predict the experimentally obtained pressure drop profiles. For analytical predictions, the negative deviations from the experimentally obtained pressure drop using the unmodified Ergun and Dietrich equations could be as high as 95 and 74 pct, respectively. For the CFD predictions, the deviation to experimental results is in the range of 84.3 to 88.5 pct depending on filter PPI. Better results can be achieved by applying the Forchheimer second-order drag term instead of the Brinkman-Forchheimer drag term. Thus, the final deviation of the CFD model estimates lie in the range of 0.3 to 5.5 pct compared to the measured values.

Ultimate strength capacity of a square hollow section filled with fibrous foamed concrete

NASA Astrophysics Data System (ADS)

Amirah Azra Khairuddin, Siti; Rahman, Norashidah Abd; Jamaluddin, Norwati; Jaini, Zainorizuan Mohd; Ali, Noorwirdawati

2017-11-01

Concrete-filled sections used as building columns have become popular due to their architectural and structural elements. In recent years, there has been a renewed call for the improvement of materials used as concrete to fill the composite columns. Among these materials, foamed concrete has received great attention due to its structural characteristics and its potential as a construction material used in hollow sections. However, its behaviors as infill material in a hollow section, such as its strength and failure mode, should be investigated. In this study, experimental research was conducted to compare the experimental and theoretical values of its ultimate strength capacity. Eight specimens of hollow steel sections with two different thicknesses were filled with fibrous foamed concrete and then subjected to compression load. The obtained results were compared with those obtained from a hollow section with the same thicknesses, but were filled with normal foamed concrete. Results show that the ultimate strength capacity of the experimental value is the same as that of the theoretical value based on Eurocode 4. The largest percentage values between theoretical and experimental results for thicknesses of 2 and 4 mm are 58% and 55%, respectively.

Protonation/deprotonation process of Emodin in aqueous solution and pKa determination: UV/Visible spectrophotometric titration and quantum/molecular mechanics calculations

NASA Astrophysics Data System (ADS)

da Cunha, Antonio R.; Duarte, Evandro L.; Lamy, M. Teresa; Coutinho, Kaline

2014-08-01

We combined theoretical and experimental studies to elucidate the important deprotonation process of Emodin in water. We used the UV/Visible spectrophotometric titration curves to obtain its pKa values, pKa1 = 8.0 ± 0.1 and pKa2 = 10.9 ± 0.2. Additionally, we obtained the pKa values of Emodin in the water-methanol mixture (1:3v/v). We give a new interpretation of the experimental data, obtaining apparent pKa1 = 6.2 ± 0.1, pKa2 = 8.3 ± 0.1 and pKa3 > 12.7. Performing quantum mechanics calculations for all possible deprotonation sites and tautomeric isomers of Emodin in vacuum and in water, we identified the sites of the first and second deprotonation. We calculated the standard deprotonation free energy of Emodin in water and the pKa1, using an explicit model of the solvent, with Free Energy Perturbation theory in Monte Carlo simulations obtaining, ΔGaq = 12.1 ± 1.4 kcal/mol and pKa1 = 8.7 ± 0.9. With the polarizable continuum model for the solvent, we obtained ΔGaq = 11.6 ± 1.0 kcal/mol and pKa1 = 8.3 ± 0.7. Both solvent models gave theoretical results in very good agreement with the experimental values.

Low-lying electronic states of Li 2+ and Li 2-

NASA Astrophysics Data System (ADS)

Konowalow, Daniel D.; Fish, James L.

1984-02-01

Potential curves for the eight lowest lying electronic states of Li2+ and the two lowest-lying states of Li2- are obtained by valence configuration calculations which-utilize an effective core potential. The calculated ionization potential of the ground state of Li2 is found to b. 5.16 eV and its electron affinity is 0.429 eV. Both values are in excellent agreement with recent experimental values and with value deduced from other high quality ab initio quantum mechanical treatments. When our potential curve for the Li2+(12Σg+ state, is corrected for the core-valence correlation error we obtain spectroscopic constants which agree nicely with the experimental values of Bernheim, Gold and Tipton (BGT). For example, we findDe = 10460 ± 140 cm-1 while BGT reportDe = 10469 ± 6 cm-1.

Numerical investigation of heat transfer in parallel channels with water at supercritical pressure.

PubMed

Shitsi, Edward; Kofi Debrah, Seth; Yao Agbodemegbe, Vincent; Ampomah-Amoako, Emmanuel

2017-11-01

Thermal phenomena such as heat transfer enhancement, heat transfer deterioration, and flow instability observed at supercritical pressures as a result of fluid property variations have the potential to affect the safety of design and operation of Supercritical Water-cooled Reactor SCWR, and also challenge the capabilities of both heat transfer correlations and Computational Fluid Dynamics CFD physical models. These phenomena observed at supercritical pressures need to be thoroughly investigated. An experimental study was carried out by Xi to investigate flow instability in parallel channels at supercritical pressures under different mass flow rates, pressures, and axial power shapes. Experimental data on flow instability at inlet of the heated channels were obtained but no heat transfer data along the axial length was obtained. This numerical study used 3D numerical tool STAR-CCM+ to investigate heat transfer at supercritical pressures along the axial lengths of the parallel channels with water ahead of experimental data. Homogeneous axial power shape HAPS was adopted and the heating powers adopted in this work were below the experimental threshold heating powers obtained for HAPS by Xi. The results show that the Fluid Centre-line Temperature FCLT increased linearly below and above the PCT region, but flattened at the PCT region for all the system parameters considered. The inlet temperature, heating power, pressure, gravity and mass flow rate have effects on WT (wall temperature) values in the NHT (normal heat transfer), EHT (enhanced heat transfer), DHT (deteriorated heat transfer) and recovery from DHT regions. While variation of all other system parameters in the EHT and PCT regions showed no significant difference in the WT and FCLT values respectively, the WT and FCLT values respectively increased with pressure in these regions. For most of the system parameters considered, the FCLT and WT values obtained in the two channels were nearly the same. The numerical study was not quantitatively compared with experimental data along the axial lengths of the parallel channels, but it was observed that the numerical tool STAR-CCM+ adopted was able to capture the trends for NHT, EHT, DHT and recovery from DHT regions. The heating powers used for the various simulations were below the experimentally observed threshold heating powers, but heat transfer deterioration HTD was observed, confirming the previous finding that HTD could occur before the occurrence of unstable behavior at supercritical pressures. For purposes of comparing the results of numerical simulations with experimental data, the heat transfer data on temperature oscillations obtained at the outlet of the heated channels and instability boundary results obtained at the inlet of the heated channels were compared. The numerical results obtained quite well agree with the experimental data. This work calls for provision of experimental data on heat transfer in parallel channels at supercritical pressures for validation of similar numerical studies.

Experimental investigation of heat transfer and effectiveness in corrugated plate heat exchangers having different chevron angles

NASA Astrophysics Data System (ADS)

Kılıç, Bayram; İpek, Osman

2017-02-01

In this study, heat transfer rate and effectiveness of corrugated plate heat exchangers having different chevron angles were investigated experimentally. Chevron angles of plate heat exchangers are β = 30° and β = 60°. For this purpose, experimentally heating system used plate heat exchanger was designed and constructed. Thermodynamic analysis of corrugated plate heat exchangers having different chevron angles were carried out. The heat transfer rate and effectiveness values are calculated. The experimental results are shown that heat transfer rate and effectiveness values for β = 60° is higher than that of the other. Obtained experimental results were graphically presented.

Verification of MCNP simulation of neutron flux parameters at TRIGA MK II reactor of Malaysia.

PubMed

Yavar, A R; Khalafi, H; Kasesaz, Y; Sarmani, S; Yahaya, R; Wood, A K; Khoo, K S

2012-10-01

A 3-D model for 1 MW TRIGA Mark II research reactor was simulated. Neutron flux parameters were calculated using MCNP-4C code and were compared with experimental results obtained by k(0)-INAA and absolute method. The average values of φ(th),φ(epi), and φ(fast) by MCNP code were (2.19±0.03)×10(12) cm(-2)s(-1), (1.26±0.02)×10(11) cm(-2)s(-1) and (3.33±0.02)×10(10) cm(-2)s(-1), respectively. These average values were consistent with the experimental results obtained by k(0)-INAA. The findings show a good agreement between MCNP code results and experimental results. Copyright © 2012 Elsevier Ltd. All rights reserved.

An Experimental and Theoretical Study of Nitrogen-Broadened Acetylene Lines

NASA Technical Reports Server (NTRS)

Thibault, Franck; Martinez, Raul Z.; Bermejo, Dionisio; Ivanov, Sergey V.; Buzykin, Oleg G.; Ma, Qiancheng

2014-01-01

We present experimental nitrogen-broadening coefficients derived from Voigt profiles of isotropic Raman Q-lines measured in the 2 band of acetylene (C2H2) at 150 K and 298 K, and compare them to theoretical values obtained through calculations that were carried out specifically for this work. Namely, full classical calculations based on Gordon's approach, two kinds of semi-classical calculations based on Robert Bonamy method as well as full quantum dynamical calculations were performed. All the computations employed exactly the same ab initio potential energy surface for the C2H2N2 system which is, to our knowledge, the most realistic, accurate and up-to-date one. The resulting calculated collisional half-widths are in good agreement with the experimental ones only for the full classical and quantum dynamical methods. In addition, we have performed similar calculations for IR absorption lines and compared the results to bibliographic values. Results obtained with the full classical method are again in good agreement with the available room temperature experimental data. The quantum dynamical close-coupling calculations are too time consuming to provide a complete set of values and therefore have been performed only for the R(0) line of C2H2. The broadening coefficient obtained for this line at 173 K and 297 K also compares quite well with the available experimental data. The traditional Robert Bonamy semi-classical formalism, however, strongly overestimates the values of half-width for both Qand R-lines. The refined semi-classical Robert Bonamy method, first proposed for the calculations of pressure broadening coefficients of isotropic Raman lines, is also used for IR lines. By using this improved model that takes into account effects from line coupling, the calculated semi-classical widths are significantly reduced and closer to the measured ones.

The amount effect and marginal value.

PubMed

Rachlin, Howard; Arfer, Kodi B; Safin, Vasiliy; Yen, Ming

2015-07-01

The amount effect of delay discounting (by which the value of larger reward amounts is discounted by delay at a lower rate than that of smaller amounts) strictly implies that value functions (value as a function of amount) are steeper at greater delays than they are at lesser delays. That is, the amount effect and the difference in value functions at different delays are actually a single empirical finding. Amount effects of delay discounting are typically found with choice experiments. Value functions for immediate rewards have been empirically obtained by direct judgment. (Value functions for delayed rewards have not been previously obtained.) The present experiment obtained value functions for both immediate and delayed rewards by direct judgment and found them to be steeper when the rewards were delayed--hence, finding an amount effect with delay discounting. © Society for the Experimental Analysis of Behavior.

Density functional calculations of the Mössbauer parameters in hexagonal ferrite SrFe12O19

NASA Astrophysics Data System (ADS)

Ikeno, Hidekazu

2018-03-01

Mössbauer parameters in a magnetoplumbite-type hexagonal ferrite, SrFe12O19, are computed using the all-electron band structure calculation based on the density functional theory. The theoretical isomer shift and quadrupole splitting are consistent with experimentally obtained values. The absolute values of hyperfine splitting parameters are found to be underestimated, but the relative scale can be reproduced. The present results validate the site-dependence of Mössbauer parameters obtained by analyzing experimental spectra of hexagonal ferrites. The results also show the usefulness of theoretical calculations for increasing the reliability of interpretation of the Mössbauer spectra.

Calculation and validation of heat transfer coefficient for warm forming operations

NASA Astrophysics Data System (ADS)

Omer, Kaab; Butcher, Clifford; Worswick, Michael

2017-10-01

In an effort to reduce the weight of their products, the automotive industry is exploring various hot forming and warm forming technologies. One critical aspect in these technologies is understanding and quantifying the heat transfer between the blank and the tooling. The purpose of the current study is twofold. First, an experimental procedure to obtain the heat transfer coefficient (HTC) as a function of pressure for the purposes of a metal forming simulation is devised. The experimental approach was used in conjunction with finite element models to obtain HTC values as a function of die pressure. The materials that were characterized were AA5182-O and AA7075-T6. Both the heating operation and warm forming deep draw were modelled using the LS-DYNA commercial finite element code. Temperature-time measurements were obtained from both applications. The results of the finite element model showed that the experimentally derived HTC values were able to predict the temperature-time history to within a 2% of the measured response. It is intended that the HTC values presented herein can be used in warm forming models in order to accurately capture the heat transfer characteristics of the operation.

Denoising by coupled partial differential equations and extracting phase by backpropagation neural networks for electronic speckle pattern interferometry.

PubMed

Tang, Chen; Lu, Wenjing; Chen, Song; Zhang, Zhen; Li, Botao; Wang, Wenping; Han, Lin

2007-10-20

We extend and refine previous work [Appl. Opt. 46, 2907 (2007)]. Combining the coupled nonlinear partial differential equations (PDEs) denoising model with the ordinary differential equations enhancement method, we propose the new denoising and enhancing model for electronic speckle pattern interferometry (ESPI) fringe patterns. Meanwhile, we propose the backpropagation neural networks (BPNN) method to obtain unwrapped phase values based on a skeleton map instead of traditional interpolations. We test the introduced methods on the computer-simulated speckle ESPI fringe patterns and experimentally obtained fringe pattern, respectively. The experimental results show that the coupled nonlinear PDEs denoising model is capable of effectively removing noise, and the unwrapped phase values obtained by the BPNN method are much more accurate than those obtained by the well-known traditional interpolation. In addition, the accuracy of the BPNN method is adjustable by changing the parameters of networks such as the number of neurons.

Modelling of the UV Index on vertical and 40° tilted planes for different orientations.

PubMed

Serrano, D; Marín, M J; Utrillas, M P; Tena, F; Martínez-Lozano, J A

2012-02-01

In this study, estimated data of the UV Index on vertical planes are presented for the latitude of Valencia, Spain. For that purpose, the UVER values have been generated on vertical planes by means of four different geometrical models a) isotropic, b) Perez, c) Gueymard, d) Muneer, based on values of the global horizontal UVER and the diffuse horizontal UVER, measured experimentally. The UVER values, obtained by any model, overestimate the experimental values for all orientations, with the exception of the Perez model for the East plane. The results show statistical values of the MAD parameter (Mean Absolute Deviation) between 10% and 25%, the Perez model being the one that obtained a lower MAD for all levels. As for the statistic RMSD parameter (Root Mean Square Deviation), the results show values between 17% and 32%, and again the Perez model provides the best results in all vertical planes. The difference between the estimated UV Index and the experimental UV Index, for vertical and 40° tilted planes, was also calculated. 40° is an angle close to the latitude of Burjassot, Valencia, (39.5°), which, according to various studies, is the optimum angle to capture maximum radiation on tilted planes. We conclude that the models provide a good estimate of the UV Index, as they coincide or differ in one unit compared to the experimental values in 99% of cases, and this is valid for all orientations. Finally, we examined the relation between the UV Index on vertical and 40° tilted planes, both the experimental and estimated by the Perez model, and the experimental UV Index on a horizontal plane at 12 GMT. Based on the results, we can conclude that it is possible to estimate with a good approximation the UV Index on vertical and 40° tilted planes in different directions on the basis of the experimental horizontal UVI value, thus justifying the interest of this study. This journal is © The Royal Society of Chemistry and Owner Societies 2012

Incertidumbre en los valores de la fuerza de oscilador de las lineas espectrales y su influencia en el calculo de abundancias

NASA Astrophysics Data System (ADS)

Marchiano, P. E.; Di Rocco, H. O.; Cruzado, A.

In this paper; we compare oscillator strengths values from XeII lines theoretically obtained with values obtained via experimentation. We put forward a working hypothesis aimed at reaching the best possible agreement; and applying it to the study of abundances of other elements in the atmospheres of chemically peculiar stars. FULL TEXT IN SPANISH

Optimization of the parameters for obtaining zirconia-alumina coatings, made by flame spraying from results of numerical simulation

NASA Astrophysics Data System (ADS)

Ferrer, M.; Vargas, F.; Peña, G.

2017-12-01

The K-Sommerfeld values (K) and the melting percentage (% F) obtained by numerical simulation using the Jets et Poudres software were used to find the projection parameters of zirconia-alumina coatings by thermal spraying flame, in order to obtain coatings with good morphological and structural properties to be used as thermal insulation. The experimental results show the relationship between the Sommerfeld parameter and the porosity of the zirconia-alumina coatings. It is found that the lowest porosity is obtained when the K-Sommerfeld value is close to 45 with an oxidant flame, on the contrary, when superoxidant flames are used K values are close 52, which improve wear resistance.

A comparison of the calculated and experimental off-design performance of a radial flow turbine

NASA Technical Reports Server (NTRS)

Tirres, Lizet

1992-01-01

Off design aerodynamic performance of the solid version of a cooled radial inflow turbine is analyzed. Rotor surface static pressure data and other performance parameters were obtained experimentally. Overall stage performance and turbine blade surface static to inlet total pressure ratios were calculated by using a quasi-three dimensional inviscid code. The off design prediction capability of this code for radial inflow turbines shows accurate static pressure prediction. Solutions show a difference of 3 to 5 points between the experimentally obtained efficiencies and the calculated values.

A comparison of the calculated and experimental off-design performance of a radial flow turbine

NASA Technical Reports Server (NTRS)

Tirres, Lizet

1991-01-01

Off design aerodynamic performance of the solid version of a cooled radial inflow turbine is analyzed. Rotor surface static pressure data and other performance parameters were obtained experimentally. Overall stage performance and turbine blade surface static to inlet total pressure ratios were calculated by using a quasi-three dimensional inviscid code. The off design prediction capability of this code for radial inflow turbines shows accurate static pressure prediction. Solutions show a difference of 3 to 5 points between the experimentally obtained efficiencies and the calculated values.

Transonic Blunt Body Aerodynamic Coefficients Computation

NASA Astrophysics Data System (ADS)

Sancho, Jorge; Vargas, M.; Gonzalez, Ezequiel; Rodriguez, Manuel

2011-05-01

In the framework of EXPERT (European Experimental Re-entry Test-bed) accurate transonic aerodynamic coefficients are of paramount importance for the correct trajectory assessment and parachute deployment. A combined CFD (Computational Fluid Dynamics) modelling and experimental campaign strategy was selected to obtain accurate coefficients. A preliminary set of coefficients were obtained by CFD Euler inviscid computation. Then experimental campaign was performed at DNW facilities at NLR. A profound review of the CFD modelling was done lighten up by WTT results, aimed to obtain reliable values of the coefficients in the future (specially the pitching moment). Study includes different turbulence modelling and mesh sensitivity analysis. Comparison with the WTT results is explored, and lessons learnt are collected.

Comparison of three nondestructive and contactless techniques for investigations of recombination parameters on an example of silicon samples

NASA Astrophysics Data System (ADS)

Chrobak, Ł.; Maliński, M.

2018-06-01

This paper presents a comparison of three nondestructive and contactless techniques used for determination of recombination parameters of silicon samples. They are: photoacoustic method, modulated free carriers absorption method and the photothermal radiometry method. In the paper the experimental set-ups used for measurements of the recombination parameters in these methods as also theoretical models used for interpretation of obtained experimental data have been presented and described. The experimental results and their respective fits obtained with these nondestructive techniques are shown and discussed. The values of the recombination parameters obtained with these methods are also presented and compared. Main advantages and disadvantages of presented methods have been discussed.

Experimental validation of beam quality correction factors for proton beams

NASA Astrophysics Data System (ADS)

Gomà, Carles; Hofstetter-Boillat, Bénédicte; Safai, Sairos; Vörös, Sándor

2015-04-01

This paper presents a method to experimentally validate the beam quality correction factors (kQ) tabulated in IAEA TRS-398 for proton beams and to determine the kQ of non-tabulated ionization chambers (based on the already tabulated values). The method is based exclusively on ionometry and it consists in comparing the reading of two ionization chambers under the same reference conditions in a proton beam quality Q and a reference beam quality 60Co. This allows one to experimentally determine the ratio between the kQ of the two ionization chambers. In this work, 7 different ionization chamber models were irradiated under the IAEA TRS-398 reference conditions for 60Co beams and proton beams. For the latter, the reference conditions for both modulated beams (spread-out Bragg peak field) and monoenergetic beams (pseudo-monoenergetic field) were studied. For monoenergetic beams, it was found that the experimental kQ values obtained for plane-parallel chambers are consistent with the values tabulated in IAEA TRS-398; whereas the kQ values obtained for cylindrical chambers are not consistent—being higher than the tabulated values. These results support the suggestion (of previous publications) that the IAEA TRS-398 reference conditions for monoenergetic proton beams should be revised so that the effective point of measurement of cylindrical ionization chambers is taken into account when positioning the reference point of the chamber at the reference depth. For modulated proton beams, the tabulated kQ values of all the ionization chambers studied in this work were found to be consistent with each other—except for the IBA FC65-G, whose experimental kQ value was found to be 0.6% lower than the tabulated one. The kQ of the PTW Advanced Markus chamber, which is not tabulated in IAEA TRS-398, was found to be 0.997 ± 0.042 (k = 2), based on the tabulated value of the PTW Markus chamber.

Extending, and repositioning, a thermochemical ladder: high-level quantum chemical calculations on the sodium cation affinity scale.

PubMed

Bloomfield, Jolyon; Davies, Erin; Gatt, Phillip; Petrie, Simon

2006-01-26

High-level ab initio quantum chemical calculations, at the CP-dG2thaw level of theory, are reported for coordination of Na+ to a wide assortment of small organic and inorganic ligands. The ligands range in size from H to C6H6, and include 22 of the ligands for which precise relative sodium ion binding free energies have been determined by recent Fourier transform ion cyclotron resonance and guided ion beam studies. Agreement with the relative experimental values is excellent (+/-1.1 kJ mol(-1)), and agreement with the absolute scale (obtained when these relative values are pegged to the CH3NH2 "anchor" value measured in a high-pressure mass spectrometric study) is only marginally poorer, with CP-dG2thaw values exceeding the absolute experimental DeltaG(298) values by an average of 2.1 kJ mol(-1). The excellent agreement between experiment and the CP-dG2thaw technique also suggests that the additional 97 ligands surveyed here (which, in many cases, are not readily susceptible to laboratory investigation) can also be reliably fitted to the existing experimental scale. However, while CP-dG2thaw and the experimental ladder are in close accord, a small set of higher level ab initio calculations on sodium ion/ligand complexes (including several values obtained here using the W1 protocol) suggests that the CP-dG2thaw values are themselves too low by approximately 2.5 kJ mol(-1), thereby implying that the accepted laboratory values are typically 4.6 kJ mol(-1) too low. The present work also highlights the importance of Na+/ligand binding energy determinations (whether by experimental or theoretical approaches) on a case-by-case basis: trends in increasing binding energy along homologous series of compounds are not reliably predictable, nor are binding site preferences or chelating tendencies in polyfunctional compounds.

A concept for improved fire-safety through coated fillers

NASA Technical Reports Server (NTRS)

Ramohalli, K.

1977-01-01

A possible method is examined for obtaining a high value of thermal conductivity before ignition and a low value after ignition in standard composite materials. The idea is to coat fiberglass, alumina trihydrate, and similar fillers with specially selected chemicals prior to using polymer resins. The amount of the coat constitutes typically less than 5% of the material's total weight. The experimental results obtained are consistent with the basic concept.

Prediction of mechanical properties of composites of HDPE/HA/EAA.

PubMed

Albano, C; Perera, R; Cataño, L; Karam, A; González, G

2011-04-01

In this investigation, the behavior of the mechanical properties of composites of high-density polyethylene/hydroxyapatite (HDPE/HA) with and without ethylene-acrylic acid copolymer (EAA) as possible compatibilizer, was studied. Different mathematical models were used to predict their Young's modulus, tensile strength and elongation at break. A comparison with the experimental results shows that the theoretical models of Guth and Kerner modified can be used to predict the Young's modulus. On the other hand, the values obtained by the Verbeek model do not show a good agreement with the experimental data, since different factors that influence the mechanical properties are considered in this model such as: aspect ratio of the reinforcement, interfacial adhesion, porosity and binder content. TEM analysis confirms the discrepancies obtained between the experimental Young's modulus values and those predicted by the Verbeek model. The values of "P", "a" and "σ(A)" suggest that an interaction among the carboxylic groups of the copolymer and the hydroxyl groups of hydroxyapatite might be present. In composites with 20 and 30 wt% of filler, this interaction does not improve the Young's modulus values, since the deviations of the Verbeek model are significant. Copyright © 2010 Elsevier Ltd. All rights reserved.

A study of the microstructure and optical properties of thin lead-dielectric cermet films. Ph.D. Thesis - Va. Polytechnic Inst. and State Univ.

NASA Technical Reports Server (NTRS)

Owen, R. B.

1972-01-01

A transmission electron microscopy study involving direct and replicating techniques is directed to a definition of the microstructure of radio frequency-sputtered, thin lead-dielectric cermet films. Once defined, this microstructure is used to obtain theoretical film refractive indices. The Maxwell Garnett theory provides a basis for the theoretical results. Measurements of film transmission and reflectivity are used to obtain rough experimental values for film refractive indices by the Tekucheva method. More exact values are obtained via ellipsometry. The rough Tekucheva values are used to determine the range over which computer calculations interpreting the ellipsometric results must be made. This technique yields accurate values for the film refractive indices.

Hadronic Leading Order Contribution to the Muon g-2

NASA Astrophysics Data System (ADS)

Nomura, Daisuke

2018-05-01

We calculate the Standard Model (SM) prediction for the muon anomalous magnetic moment. By using the latest experimental data for e+e- → hadrons as input to dispersive integrals, we obtain the values of the leading order (LO) and the next-to-leading-order (NLO) hadronic vacuum polarisation contributions as ahad, LO VPμ = (693:27 ± 2:46) × 10-10 and ahad, NLO VP μ = (_9.82 ± 0:04) × 1010-10, respectively. When combined with other contributions to the SM prediction, we obtain aμ(SM) = (11659182:05 ± 3.56) × 10-10; which is deviated from the experimental value by Δaμ(exp) _ aμ(SM) = (27.05 ± 7.26) × 10-10. This means that there is a 3.7 σ discrepancy between the experimental value and the SM prediction. We also discuss another closely related quantity, the running QED coupling at the Z-pole, α(M2 Z). By using the same e+e- → hadrons data as input, our result for the 5-flavour quark contribution to the running QED coupling at the Z pole is Δ(5)had(M2 Z) = (276.11 ± 1.11) × 10-4, from which we obtain Δ(M2 Z) = 128.946 ± 0.015.

The effectiveness of module based on guided inquiry method to improve students’ logical thinking ability

NASA Astrophysics Data System (ADS)

Ash-Shiddieqy, M. H.; Suparmi, A.; Sunarno, W.

2018-04-01

The purpose of this research is to understand the effectiveness of module based on guided inquiry method to improve students’ logical thinking ability. This research only evaluate the students’ logical ability after follows the learning activities that used developed physics module based on guided inquiry method. After the learning activities, students This research method uses a test instrument that adapts TOLT instrument. There are samples of 68 students of grade XI taken from SMA Negeri 4 Surakarta.Based on the results of the research can be seen that in the experimental class and control class, the posttest value aspect of probabilistic reasoning has the highest value than other aspects, whereas the posttest value of the proportional reasoning aspect has the lowest value. The average value of N-gain in the experimental class is 0.39, while in the control class is 0.30. Nevertheless, the N-gain values obtained in the experimental class are larger than the control class, so the guided inquiry-based module is considered more effective for improving students’ logical thinking. Based on the data obtained from the research shows the modules available to help teachers and students in learning activities. The developed Physics module is integrated with every syntax present in guided inquiry method, so it can be used to improve students’ logical thinking ability.

Characterising experimental time series using local intrinsic dimension

NASA Astrophysics Data System (ADS)

Buzug, Thorsten M.; von Stamm, Jens; Pfister, Gerd

1995-02-01

Experimental strange attractors are analysed with the averaged local intrinsic dimension proposed by A. Passamante et al. [Phys. Rev. A 39 (1989) 3640] which is based on singular value decomposition of local trajectory matrices. The results are compared to the values of Kaplan-Yorke and the correlation dimension. The attractors, reconstructed with Takens' delay time coordinates from scalar velocity time series, are measured in the hydrodynamic Taylor-Couette system. A period doubling route towards chaos obtained from a very short Taylor-Couette cylinder yields a sequence of experimental time series where the local intrinsic dimension is applied.

A theoretical study of potentially observable chirality-sensitive NMR effects in molecules.

PubMed

Garbacz, Piotr; Cukras, Janusz; Jaszuński, Michał

2015-09-21

Two recently predicted nuclear magnetic resonance effects, the chirality-induced rotating electric polarization and the oscillating magnetization, are examined for several experimentally available chiral molecules. We discuss in detail the requirements for experimental detection of chirality-sensitive NMR effects of the studied molecules. These requirements are related to two parameters: the shielding polarizability and the antisymmetric part of the nuclear magnetic shielding tensor. The dominant second contribution has been computed for small molecules at the coupled cluster and density functional theory levels. It was found that DFT calculations using the KT2 functional and the aug-cc-pCVTZ basis set adequately reproduce the CCSD(T) values obtained with the same basis set. The largest values of parameters, thus most promising from the experimental point of view, were obtained for the fluorine nuclei in 1,3-difluorocyclopropene and 1,3-diphenyl-2-fluoro-3-trifluoromethylcyclopropene.

Modeling texture kinetics during thermal processing of potato products.

PubMed

Moyano, P C; Troncoso, E; Pedreschi, F

2007-03-01

A kinetic model based on 2 irreversible serial chemical reactions has been proposed to fit experimental data of texture changes during thermal processing of potato products. The model links dimensionless maximum force F*(MAX) with processing time. Experimental texture changes were obtained during frying of French fries and potato chips at different temperatures, while literature data for blanching/cooking of potato cubes have been considered. A satisfactory agreement between experimental and predicted values was observed, with root mean square values (RMSs) in the range of 4.7% to 16.4% for French fries and 16.7% to 29.3% for potato chips. In the case of blanching/cooking, the proposed model gave RMSs in the range of 1.2% to 17.6%, much better than the 6.2% to 44.0% obtained with the traditional 1st-order kinetics. The model is able to predict likewise the transition from softening to hardening of the tissue during frying.

Theoretical Evaluation of Crosslink Density of Chain Extended Polyurethane Networks Based on Hydroxyl Terminated Polybutadiene and Butanediol and Comparison with Experimental Data

NASA Astrophysics Data System (ADS)

Sekkar, Venkataraman; Alex, Ancy Smitha; Kumar, Vijendra; Bandyopadhyay, G. G.

2018-01-01

Polyurethane networks between hydroxyl terminated polybutadiene (HTPB) and butanediol (BD) were prepared using toluene diisocyanate (TDI) as the curative. HTPB and BD were taken at equivalent ratios viz.: 1:0, 1:1, 1:2, 1:4, and 1:8. Crosslink density (CLD) was theoretically calculated using α-model equations developed by Marsh. CLD for the polyurethane networks was experimentally evaluated from equilibrium swell and stress-strain data. Young's modulus and Mooney-Rivlin approaches were adopted to calculate CLD from stress-strain data. Experimentally obtained CLD values were enormously higher than theoretical values especially at higher BD/HTPB equivalent ratios. The difference in the theoretical and experimental values for CLD was explained in terms of local crystallization due to the formation of hard segments and hydrogen bonded interactions.

Excitation of the 6p7s {sup 3}P{sub 0,1} states of Pb atoms by electron impact: Differential and integrated cross sections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Milisavljevic, S.; Rabasovic, M. S.; Sevic, D.

2007-08-15

Experimental measurements of electron impact excitation of the 6p7s {sup 3}P{sub 0,1} states of Pb atoms have been made at incident electron energies E{sub 0}=10, 20, 40, 60, 80, and 100 eV and scattering angles from 10 deg. to 150 deg. In addition, relativistic distorted-wave calculations have been carried out at these energies. The data obtained include the differential (DCS), integral (Q{sub I}), momentum transfer (Q{sub M}), and viscosity (Q{sub V}) cross sections. Absolute values for the differential cross sections have been obtained by normalizing the relative DCSs at 10 deg. to the experimental DCS values of [S. Milisavljevic, M.more » S. Rabasovic, D. Sevic, V. Pejcev, D. M. Filipovic, L. Sharma, R. Srivastava, A. D. Stauffer, and B. P. Marinkovic, Phys. Rev. A 75, 052713 (2007)]. The integrated cross sections were determined by numerical integration of the absolute DCSs. The experimental results have been compared with the corresponding calculations and good agreement is obtained.« less

Molecular Dynamics Simulations of Adhesion at Epoxy Interfaces

NASA Technical Reports Server (NTRS)

Frankland, Sarah-Jane V.; Clancy, Thomas C.; Hinkley, J. A.; Gates. T. S.

2008-01-01

The effect of moisture on adhesives used in aerospace applications can be modeled with chemically specific techniques such as molecular dynamics simulation. In the present study, the surface energy and work of adhesion are calculated for epoxy surfaces and interfaces, respectively, by using molecular dynamics simulation. Modifications are made to current theory to calculate the work of adhesion at the epoxy-epoxy interface with and without water. Quantitative agreement with experimental values is obtained for the surface energy and work of adhesion at the interface without water. The work of adhesion agrees qualitatively with the experimental values for the interface with water: the magnitude is reduced 15% with respect to the value for the interface without water. A variation of 26% in the magnitude is observed depending on the water configuration at a concentration of 1.6 wt%. The methods and modifications to the method that are employed to obtain these values are expected to be applicable for other epoxy adhesives to determine the effects of moisture uptake on their work of adhesion.

Sibutramine characterization and solubility, a theoretical study

NASA Astrophysics Data System (ADS)

Aceves-Hernández, Juan M.; Nicolás Vázquez, Inés; Hinojosa-Torres, Jaime; Penieres Carrillo, Guillermo; Arroyo Razo, Gabriel; Miranda Ruvalcaba, René

2013-04-01

Solubility data from sibutramine (SBA) in a family of alcohols were obtained at different temperatures. Sibutramine was characterized by using thermal analysis and X-ray diffraction technique. Solubility data were obtained by the saturation method. The van't Hoff equation was used to obtain the theoretical solubility values and the ideal solvent activity coefficient. No polymorphic phenomena were found from the X-ray diffraction analysis, even though this compound is a racemic mixture of (+) and (-) enantiomers. Theoretical calculations showed that the polarisable continuum model was able to reproduce the solubility and stability of sibutramine molecule in gas phase, water and a family of alcohols at B3LYP/6-311++G (d,p) level of theory. Dielectric constant, dipolar moment and solubility in water values as physical parameters were used in those theoretical calculations for explaining that behavior. Experimental and theoretical results were compared and good agreement was obtained. Sibutramine solubility increased from methanol to 1-octanol in theoretical and experimental results.

Absolute Standard Hydrogen Electrode Potential Measured by Reduction of Aqueous Nanodrops in the Gas Phase

PubMed Central

Donald, William A.; Leib, Ryan D.; O'Brien, Jeremy T.; Bush, Matthew F.; Williams, Evan R.

2008-01-01

In solution, half-cell potentials are measured relative to those of other half cells, thereby establishing a ladder of thermochemical values that are referenced to the standard hydrogen electrode (SHE), which is arbitrarily assigned a value of exactly 0 V. Although there has been considerable interest in, and efforts toward, establishing an absolute electrochemical half-cell potential in solution, there is no general consensus regarding the best approach to obtain this value. Here, ion-electron recombination energies resulting from electron capture by gas-phase nanodrops containing individual [M(NH3)6]3+, M = Ru, Co, Os, Cr, and Ir, and Cu2+ ions are obtained from the number of water molecules that are lost from the reduced precursors. These experimental data combined with nanodrop solvation energies estimated from Born theory and solution-phase entropies estimated from limited experimental data provide absolute reduction energies for these redox couples in bulk aqueous solution. A key advantage of this approach is that solvent effects well past two solvent shells, that are difficult to model accurately, are included in these experimental measurements. By evaluating these data relative to known solution-phase reduction potentials, an absolute value for the SHE of 4.2 ± 0.4 V versus a free electron is obtained. Although not achieved here, the uncertainty of this method could potentially be reduced to below 0.1 V, making this an attractive method for establishing an absolute electrochemical scale that bridges solution and gas-phase redox chemistry. PMID:18288835

Use of computer code for dose distribution studies in A 60CO industrial irradiator

NASA Astrophysics Data System (ADS)

Piña-Villalpando, G.; Sloan, D. P.

1995-09-01

This paper presents a benchmark comparison between calculated and experimental absorbed dose values tor a typical product, in a 60Co industrial irradiator, located at ININ, México. The irradiator is a two levels, two layers system with overlapping product configuration with activity around 300kCi. Experimental values were obtanied from routine dosimetry, using red acrylic pellets. Typical product was Petri dishes packages, apparent density 0.13 g/cm3; that product was chosen because uniform size, large quantity and low density. Minimum dose was fixed in 15 kGy. Calculated values were obtained from QAD-CGGP code. This code uses a point kernel technique, build-up factors fitting was done by geometrical progression and combinatorial geometry is used for system description. Main modifications for the code were related with source sumilation, using punctual sources instead of pencils and an energy and anisotropic emission spectrums were included. Results were, for maximum dose, calculated value (18.2 kGy) was 8% higher than experimental average value (16.8 kGy); for minimum dose, calculated value (13.8 kGy) was 3% higher than experimental average value (14.3 kGy).

DD3MAT - a code for yield criteria anisotropy parameters identification.

NASA Astrophysics Data System (ADS)

Barros, P. D.; Carvalho, P. D.; Alves, J. L.; Oliveira, M. C.; Menezes, L. F.

2016-08-01

This work presents the main strategies and algorithms adopted in the DD3MAT inhouse code, specifically developed for identifying the anisotropy parameters. The algorithm adopted is based on the minimization of an error function, using a downhill simplex method. The set of experimental values can consider yield stresses and r -values obtained from in-plane tension, for different angles with the rolling direction (RD), yield stress and r -value obtained for biaxial stress state, and yield stresses from shear tests performed also for different angles to RD. All these values can be defined for a specific value of plastic work. Moreover, it can also include the yield stresses obtained from in-plane compression tests. The anisotropy parameters are identified for an AA2090-T3 aluminium alloy, highlighting the importance of the user intervention to improve the numerical fit.

Gamma ray interaction studies of organic nonlinear optical materials in the energy range 122 keV-1330 keV

NASA Astrophysics Data System (ADS)

Awasarmol, V. V.; Gaikwad, D. K.; Raut, S. D.; Pawar, P. P.

The mass attenuation coefficients (μm) for organic nonlinear optical materials measured at 122-1330 keV photon energies were investigated on the basis of mixture rule and compared with obtained values of WinXCOM program. It is observed that there is a good agreement between theoretical and experimental values of the samples. All samples were irradiated with six radioactive sources such as 57Co, 133Ba, 22Na, 137Cs, 54Mn and 60Co using transmission arrangement. Effective atomic and electron numbers or electron densities (Zeff and Neff), molar extinction coefficient (ε), mass energy absorption coefficient (μen/ρ) and effective atomic energy absorption cross section (σa,en) were determined experimentally and theoretically using the obtained μm values for investigated samples and graphs have been plotted. The graph shows that the variation of all samples decreases with increasing photon energy.

Wear resistance of Polymethyl Methacrylate (PMMA) with the Addition of Bone Ash, Hydroxylapatite and Keratin

NASA Astrophysics Data System (ADS)

Emre, G.; Akkus, A.; Karamış, M. B.

2018-01-01

In this study mechanichal and tribological properties of keratin, bone ash and hydroxylapatite by adding to PMMA ( known as the main prosthesis material) were investigated. Hydroxylapatite, bone ash, and keratin materials were added as PMMA in to the content of PMMA, in the proportions of %1, %3 and %5, respectively. The resulting mixtures were put into the molds and solidified in order to obtain samples to be used in the wear experiments. Each experiment was conducted by preparing three experimental samples. The wear data were compared according to the average values of the experimental samples. In the wear test, the results were also evaluated according to the average values obtained from each group and the results of the control group. It was observed that, the wear resistance of the PMMA including 3%, 5% bone ash and PMMA including 5% keratin flour were higher than the values of the control group.

A simple pendulum-based measurement of g with a smartphone light sensor

NASA Astrophysics Data System (ADS)

Pili, Unofre; Violanda, Renante

2018-07-01

A quick and very accessible method for the measurement of acceleration due to gravity is presented. The experimental set-up employs a smartphone ambient light sensor as the motion timer for measuring the period of a simple pendulum. This allowed us to obtain an experimental value, 9.72  +  0.05 m s‑2, for the gravitational acceleration which is in good agreement with the local theoretical value of 9.78 m s‑2.

Structural, electronic, and elastic properties of CuFeS2: first-principles study

NASA Astrophysics Data System (ADS)

Zhou, Meng; Gao, Xiang; Cheng, Yan; Chen, Xiangrong; Cai, Lingcang

2015-03-01

The structural, electronic, and elastic properties of CuFeS2 have been investigated by using the generalized gradient approximation (GGA), GGA + U (on-site Coulomb repulsion energy), the local density approximation (LDA), and the LDA + U approach in the frame of density functional theory. It is shown that when the GGA + U formalism is selected with a U value of 3 eV for the 3d state of Fe, the calculated lattice constants agree well with the available experimental and other theoretical data. Our GGA + U calculations indicate that CuFeS2 is a semiconductor with a band gap of 0.552 eV and with a magnetic moment of 3.64 µB per Fe atom, which are well consistent with the experimental results. Combined with the density of states, the band structure characteristics of CuFeS2 have been analyzed and their origins have been specified, which reveals a hybridization existing between Fe-3d, Cu-3s, and S-3p, respectively. The charge and Mulliken population analyses indicate that CuFeS2 is a covalent crystal. Moreover, the calculated elastic constants prove that CuFeS2 is mechanically stable but anisotropic. The bulk modulus obtained from elastic constants is 87.1 GPa, which agrees well with the experimental value of 91 ± 15 GPa and better than the theoretical bulk modulus 74 GPa obtained from GGA method by Lazewski et al. The obtained shear modulus and Debye temperature are 21.0 GPa and 287 K, respectively, and the latter accords well with the available experimental value. It is expected that our work can provide useful information to further investigate CuFeS2 from both the experimental and theoretical sides.

Long Chain Saturated and Unsaturated Carboxylic Acids: Filling a Large Gap of Knowledge in Their Enthalpies of Formation.

PubMed

Rogers, Donald W; Zavitsas, Andreas A

2017-01-06

Despite their abundance in nature and their importance in biology, medicine, nutrition, and in industry, gas phase enthalpies of formation of many long chain saturated and unsaturated fatty acids and of dicarboxylic acids are either unavailable or have been estimated with large uncertainties. Available experimental values for stearic acid show a spread of 68 kJ mol -1 . This work fills the knowledge gap by obtaining reliable values by quantum theoretical calculations using G4 model chemistry. Compounds with up to 20 carbon atoms are treated. The theoretical results are in excellent agreement with well established experimental values when such values exist, and they provide a large number of previously unavailable values.

Exact quantum scattering calculation of transport properties for free radicals: OH(X2Π)-helium.

PubMed

Dagdigian, Paul J; Alexander, Millard H

2012-09-07

Transport properties for OH-He are computed through quantum scattering calculations using the ab initio potential energy surfaces determined by Lee et al. [J. Chem. Phys. 113, 5736 (2000)]. To gauge the importance of the open-shell character of OH and the anisotropy of the potential on the transport properties, including the collision integrals Ω((1,1)) and Ω((2,2)), as well as the diffusion coefficient, calculations were performed with the full potential, with the difference potential V(dif) set to zero, and with only the spherical average of the potential. Slight differences (3%-5%) in the computed diffusion coefficient were found between the values obtained using the full potential and the truncated potentials. The computed diffusion coefficients were compared to recent experimental measurements and those computed with a Lennard-Jones (LJ) 12-6 potential. The values obtained with the full potential were slightly higher than the experimental values. The LJ 12-6 potential was found to underestimate the variation in temperature as compared to that obtained using the full OH-He ab initio potential.

Study on Properties of Energy Spectra of the Molecular Crystals

NASA Astrophysics Data System (ADS)

Pang, Xiao-Feng; Chen, Xiang-Rong

The energy-spectra of nonlinear vibration of molecular crystals such as acetanilide have been calculated by using discrete nonlinear Schrödinger equation appropriate to the systems, containing various interactions. The energy levels including higher excited states are basically consistent with experimental values obtained by infrared absorption and Raman scattering in acetanilide. We further give the features of distribution of the energy-spectra for the acetanilide. Using the energy spectra we also explained well experimental results obtained by Careri et al..

Evaluation of True Power Luminous Efficiency from Experimental Luminance Values

NASA Astrophysics Data System (ADS)

Tsutsui, Tetsuo; Yamamato, Kounosuke

1999-05-01

A method for obtaining true external power luminous efficiencyfrom experimentally obtained luminance in organic light-emittingdiodes (LEDs) wasdemonstrated. Conventional two-layer organic LEDs with different electron-transport layer thicknesses wereprepared. Spatial distributions of emission intensities wereobserved. The large deviation in both emission spectra and spatialemission patterns were observed when the electron-transport layerthickness was varied. The deviation of emission patterns from thestandard Lambertian pattern was found to cause overestimations ofpower luminous efficiencies as large as 30%. A method for evaluatingcorrection factors was proposed.

Effect of packing on changes in erythrocyte osmotic fragility and malondialdehyde concentration in donkeys administered with ascorbic acid.

PubMed

Olaifa, Folashade; Ayo, Joseph O; Ambali, Suleiman F; Rekwot, Peter I

2012-12-05

Experiments were performed with the aim of investigating the effect of packing on erythrocyte osmotic fragility (EOF) and malondialdehyde (MDA) concentration in donkeys, and the effect of ascorbic acid (AA). Twelve apparently healthy donkeys raised under the traditional extensive system served as experimental subjects. Six donkeys administered orally with AA (200 mg/kg) and subjected to packing were used as experimental animals, whilst six others not administered with AA served as controls. Blood samples were collected pre- and post-packing from all the donkeys for the determination of MDA and EOF. At 0.3% Sodium Chloride (NaCl) concentration, the percentage haemolysis was 93.69% ± 2.21% in the control donkeys and the value was significantly (P < 0.05) higher than the value of 71.31% ± 8.33%, recorded in the experimental donkeys. The post-packing MDA concentration obtained in the control donkeys was 39.62 µmol ± 4.16 µmol, and was not significantly different (P > 0.05) from the value of 35.97 µmol ± 2.88 µmol recorded in the experimental donkeys. In conclusion, the increase in haemolysis obtained in the donkeys suggested that packing induced oxidative stress, which was ameliorated by AA administration.

Laser-induced fluorescence detection of lead atoms in a laser-induced plasma: An experimental analytical optimization study

NASA Astrophysics Data System (ADS)

Laville, Stéphane; Goueguel, Christian; Loudyi, Hakim; Vidal, François; Chaker, Mohamed; Sabsabi, Mohamad

2009-04-01

The combination of the laser-induced breakdown spectroscopy (LIBS) and laser-induced fluorescence (LIF) techniques was investigated to improve the limit of detection (LoD) of trace elements in solid matrices. The influence of the main experimental parameters on the LIF signal, namely the ablation fluence, the excitation energy, and the inter-pulse delay, was studied experimentally and a discussion of the results was presented. For illustrative purpose we considered detection of lead in brass samples. The plasma was produced by a Q-switched Nd:YAG laser and then re-excited by a nanosecond Optical Parametric Oscillator (OPO) laser. The experiments were performed in air at atmospheric pressure. We found out that the optimal conditions were obtained for our experimental set-up using relatively weak ablation fluence of 2-3 J/cm 2 and an inter-pulse delay of about 5-10 μs. Also, a few tens of microjoules was typically required to maximize the LIF signal. Using the LIBS-LIFS technique, a single-shot LoD for lead of about 1.5 part per million (ppm) was obtained while a value of 0.2 ppm was obtained after accumulating over 100 shots. These values represent an improvement of about two orders of magnitude with respect to LIBS.

Comparison of Water-Load Distributions Obtained during Seaplane Landings with Bureau of Aeronautics Specifications. TED No. NACA 2413

NASA Technical Reports Server (NTRS)

Smiley, Robert F.; Haines, Gilbert A.

1949-01-01

Bureau of Aeronautics Design Specifications SS-IC-2 for water loads in sheltered water are compared with experimental water loads obtained during a full--scale landing investigation. This investigation was conducted with a JRS-1 flying boat which has a 20 degrees dead-rise V-bottom with a partial chine flare. The range of landing conditions included airspeeds between 88 and 126 feet per second, sinking speeds between 1.6 and 9.1 feet per second, flight angles less than 6 degrees, and trims between 2 degrees and 12 degrees. Landings were moderate and were made in calm water. Measurements were obtained of maximum over-all loads, maximum pitching moments, and pressure distributions. Maximum experimental loads include over-all load factors of 2g, moments of 128,000 pound-feet, and maximum local pressures greater than 40 pounds per square inch. Experimental over-all loads are approximately one-half the design values, while local pressures are of the same order as or larger than pressures calculated from specifications for plating, stringer, floor, and frame design. The value of this comparison is limited, to some extent, by the moderate conditions of the test and by the necessary simplifying assumptions used in comparing the specifications with the experimental loads.

Determination of 1-octanol-air partition coefficient using gaseous diffusion in the air boundary layer.

PubMed

Ha, Yeonjeong; Kwon, Jung-Hwan

2010-04-15

Exact determination of the partition coefficient between 1-octanol and air (K(OA)) is very important because it is a key descriptor for describing the thermodynamic partitioning between the air and organic phases. In spite of its importance, the number and quality of experimental K(OA) values for hydrophobic organic chemicals are limited because of experimental difficulties. Thus, to measure K(OA) values, a high-throughput method was developed that used liquid-phase extraction with 1-octanol drop at the tip of a microsyringe needle. The concentration in the headspace surrounding the 1 muL octanol drop was equilibrated with liquid octanol containing polycyclic aromatic hydrocarbons (PAHs). The change in concentrations of PAHs in the octanol drop was measured to obtain mass transfer rate constants, and these rate constants were then converted into K(OA) values using a film diffusion model. Thirteen polycyclic aromatic hydrocarbons with log K(OA) between 5 and 12 were chosen for the proof of the principle. Experimental determination of log K(OA) was accomplished in 30 h for PAHs with their log K(OA) less than 11. The measured log K(OA) values were very close to those obtained by various experimental and estimation methods in the literature, suggesting that this new method can provide a fast and easy determination of log K(OA) values for many chemicals of environmental interests. In addition, the applicability of the method can be extended to determine Henry's law constant for compounds with low vapor pressure and to estimate gaseous transfer rate of semivolatile compounds for environmental fate modeling.

An iterative transformation procedure for numerical solution of flutter and similar characteristics-value problems

NASA Technical Reports Server (NTRS)

Gossard, Myron L

1952-01-01

An iterative transformation procedure suggested by H. Wielandt for numerical solution of flutter and similar characteristic-value problems is presented. Application of this procedure to ordinary natural-vibration problems and to flutter problems is shown by numerical examples. Comparisons of computed results with experimental values and with results obtained by other methods of analysis are made.

Arc-evaporated carbon films: Optical properties and electron mean free paths

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arakawa, E.T.; Dolfini, S.M.; Ashley, J.C.

1985-06-15

The real and imaginary parts of the complex refractive index, n(..omega..) = n(..omega..)+ik(..omega..), of arc-evaporated carbon films have been obtained over the range of photon energies h..omega.. from 0.5 to 62.0 eV. Values of k(..omega..) obtained from transmission measurements in this energy range were combined with values of k(..omega..) from the literature in the infrared and soft-x-ray regions. A Kramers-Kronig analysis then yielded the values of n(..omega..). The density of the arc-evaporated carbon films was found to be 1.90 +- 0.05 g cm/sup -3/ by the ''sink-float'' method, and their thicknesses were determined optically. A sum-rule calculation yielded the effectivemore » numbers of valence and core electrons to be 4.2 and 1.8, respectively. The experimental values determined for n(..omega..) have been used to estimate values of the inelastic mean free path ..lambda..(E) for electrons of energy E from 200 to 3000 eV in amorphous carbon. Good agreement is found between ..lambda..(E) and experimentally determined values of electron attenuation length L(E) from the literature.« less

Neutron field measurement at the Experimental Advanced Superconducting Tokamak using a Bonner sphere spectrometer

NASA Astrophysics Data System (ADS)

Hu, Zhimeng; Zhong, Guoqiang; Ge, Lijian; Du, Tengfei; Peng, Xingyu; Chen, Zhongjing; Xie, Xufei; Yuan, Xi; Zhang, Yimo; Sun, Jiaqi; Fan, Tieshuan; Zhou, Ruijie; Xiao, Min; Li, Kai; Hu, Liqun; Chen, Jun; Zhang, Hui; Gorini, Giuseppe; Nocente, Massimo; Tardocchi, Marco; Li, Xiangqing; Chen, Jinxiang; Zhang, Guohui

2018-07-01

The neutron field measurement was performed in the Experimental Advanced Superconducting Tokamak (EAST) experimental hall using a Bonner sphere spectrometer (BSS) based on a 3He thermal neutron counter. The measured spectra and the corresponding integrated neutron fluence and dose values deduced from the spectra at two exposed positions were compared to the calculated results obtained by a general Monte Carlo code MCNP5, and good agreements were found. The applicability of a homemade dose survey meter installed at EAST was also verified with the comparison of the ambient dose equivalent H*(10) values measured by the meter and BSS.

Complex Values in Different Cultures: Some Research Results of Psycholinguistic Experiments with Russian and Swedish Students

ERIC Educational Resources Information Center

Shabes, Vladimir; Troshchenkova, Ekaterina; Potapova, Tamara; Ivarsson, Lena; Damber, Ulla; Bostedt, Goran

2012-01-01

In the article on the basis of the psycholinguistic experimental data obtained in 2009-2010 from Russian and Swedish students, we consider internal features of several complex values ("Harmony", "Freedom", "Democracy", "Tolerance" and "Patriotism") and analyze their external systemic organization,…

The stopping power and energy straggling of heavy ions in silicon nitride and polypropylene

NASA Astrophysics Data System (ADS)

Mikšová, R.; Hnatowicz, V.; Macková, A.; Malinský, P.; Slepička, P.

2015-07-01

The stopping power and energy straggling of 12C3+ and 16O3+ ions with energies between 4.5 and 7.8 MeV in a 0.166-μm-thin silicon nitride and in 4-μm-thin polypropylene foils were measured by means of an indirect transmission method using a half-covered PIPS detector. Ions scattered from a thin gold layer under a scattering angle of 150° were used. The energy spectra of back-scattered and decelerated ions were registered and evaluated simultaneously. The measured stopping powers were compared with the theoretical predictions simulated by SRIM-2008 and MSTAR codes. SRIM prediction of energy stopping is reasonably close to the experimentally obtained values comparing to MSTAR values. Better agreement between experimental and predicted data was observed for C3+ ion energy losses comparing to O3+ ions. The experimental data from Paul's database and our previous experimental data were also discussed. The obtained experimental energy-straggling data were compared to those calculated by using Bohr's, Yang's models etc. The predictions by Yang are in good agreement with our experiment within a frame of uncertainty of 25%.

Universality and diversity of folding mechanics for three-helix bundle proteins.

PubMed

Yang, Jae Shick; Wallin, Stefan; Shakhnovich, Eugene I

2008-01-22

In this study we evaluate, at full atomic detail, the folding processes of two small helical proteins, the B domain of protein A and the Villin headpiece. Folding kinetics are studied by performing a large number of ab initio Monte Carlo folding simulations using a single transferable all-atom potential. Using these trajectories, we examine the relaxation behavior, secondary structure formation, and transition-state ensembles (TSEs) of the two proteins and compare our results with experimental data and previous computational studies. To obtain a detailed structural information on the folding dynamics viewed as an ensemble process, we perform a clustering analysis procedure based on graph theory. Moreover, rigorous p(fold) analysis is used to obtain representative samples of the TSEs and a good quantitative agreement between experimental and simulated Phi values is obtained for protein A. Phi values for Villin also are obtained and left as predictions to be tested by future experiments. Our analysis shows that the two-helix hairpin is a common partially stable structural motif that gets formed before entering the TSE in the studied proteins. These results together with our earlier study of Engrailed Homeodomain and recent experimental studies provide a comprehensive, atomic-level picture of folding mechanics of three-helix bundle proteins.

Adsorption Thermodynamics and Intrinsic Activation Parameters for Monomolecular Cracking of n -Alkanes on Brønsted Acid Sites in Zeolites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Janda, Amber; Vlaisavljevich, Bess; Lin, Li-Chiang

Experimental measurements of the rate coefficient (kapp) and apparent enthalpies and entropies of activation (ΔHapp and ΔSapp) for alkane cracking catalyzed by acidic zeolites can be used to characterize the effects of zeolite structure and alkane size on the intrinsic enthalpy and entropy of activation, ΔHint‡ and ΔSint‡. To determine ΔHint‡ and ΔSint‡, enthalpies and entropies of adsorption, ΔHads-H+ and ΔSads-H+, must be determined for alkane molecules moving from the gas phase to Brønsted acid sites at reaction temperatures (>673 K). Experimental values of ΔHapp and ΔSapp must also be properly defined in terms of ΔHads-H+ and ΔSads-H+. We reportmore » here a method for determining ΔHads-H+ and ΔSads-H+ in which the adsorption site is represented by a fixed volume that includes the proton. Values of ΔHads-H+ and ΔSads-H+ obtained from Monte Carlo simulations are in good agreement with values obtained from experimental data measured at 300–400 K. An important feature of the simulations, however, is their ability to account for the redistribution of alkane adsorbed at protons in different locations with increasing temperature. Values of ΔHint‡ and ΔSint‡ for the cracking of propane through n-hexane, determined from measured values of kapp and ΔHapp and simulated values of ΔHads-H+ and ΔSads-H+, agree well with values obtained independently from quantum mechanics/molecular mechanics calculations. Application of our method of analysis reveals that the observed increase in kapp with increasing n-alkane size is due primarily to a decrease in ΔHint‡ with increasing chain length and that ΔSint‡ is independent of chain length.« less

Mass transfer coefficient in ginger oil extraction by microwave hydrotropic solution

NASA Astrophysics Data System (ADS)

Handayani, Dwi; Ikhsan, Diyono; Yulianto, Mohamad Endy; Dwisukma, Mandy Ayulia

2015-12-01

This research aims to obtain mass transfer coefficient data on the extraction of ginger oil using microwave hydrotropic solvent as an alternative to increase zingiberene. The innovation of this study is extraction with microwave heater and hydrotropic solvent,which able to shift the phase equilibrium, and the increasing rate of the extraction process and to improve the content of ginger oil zingiberene. The experiment was conducted at the Laboratory of Separation Techniques at Chemical Engineering Department of Diponegoro University. The research activities carried out in two stages, namely experimental and modeling work. Preparation of the model postulated, then lowered to obtain equations that were tested and validated using data obtained from experimental. Measurement of experimental data was performed using microwave power (300 W), extraction temperature of 90 ° C and the independent variable, i.e.: type of hydrotropic, the volume of solvent and concentration in order, to obtain zingiberen levels as a function of time. Measured data was used as a tool to validate the postulation, in order to obtain validation of models and empirical equations. The results showed that the mass transfer coefficient (Kla) on zingiberene mass transfer models ginger oil extraction at various hydrotropic solution attained more 14 ± 2 Kla value than its reported on the extraction with electric heating. The larger value of Kla, the faster rate of mass transfer on the extraction process. To obtain the same yields, the microwave-assisted extraction required one twelfth time shorter.

A closer look at the physical and optical properties of gold nanostars: an experimental and computational study

DOE PAGES

Tsoulos, T. V.; Han, L.; Weir, J.; ...

2017-02-22

A combined experimental and computational study was carried out to design a semi-empirical method to determine the volume, surface area, and extinction coefficients of gold nanostars. The values obtained were confirmed by reconstructing the nanostar 3D topography through high-tilt TEM tomography and introducing the finite elements in COMSOL Multiphysics through which we have also calculated the morphology-dependent extinction coefficient. We have, for the first time, modeled the heat losses of a real, experimentally synthesized nanostar, and found the plasmon resonances to be in excellent agreement with those obtained experimentally. Furthermore, we believe that our approach could substantially improve the applicabilitymore » of this remarkable nanomaterial.« less

A closer look at the physical and optical properties of gold nanostars: an experimental and computational study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsoulos, T. V.; Han, L.; Weir, J.

A combined experimental and computational study was carried out to design a semi-empirical method to determine the volume, surface area, and extinction coefficients of gold nanostars. The values obtained were confirmed by reconstructing the nanostar 3D topography through high-tilt TEM tomography and introducing the finite elements in COMSOL Multiphysics through which we have also calculated the morphology-dependent extinction coefficient. We have, for the first time, modeled the heat losses of a real, experimentally synthesized nanostar, and found the plasmon resonances to be in excellent agreement with those obtained experimentally. Furthermore, we believe that our approach could substantially improve the applicabilitymore » of this remarkable nanomaterial.« less

The multistate impact parameter method for molecular charge exchange in nitrogen

NASA Technical Reports Server (NTRS)

Ioup, J. W.

1980-01-01

The multistate impact parameter method is applied to the calculation of total cross sections for low energy change transfer between nitrogen ions and nitrogen molecules. Experimental data showing the relationships between total cross section and ion energy for various pressures and electron ionization energies were obtained. Calculated and experimental cross section values from the work are compared with the experimental and theoretical results of other investigators.

Ratios of Vector and Pseudoscalar B Meson Decay Constants in the Light-Cone Quark Model

NASA Astrophysics Data System (ADS)

Dhiman, Nisha; Dahiya, Harleen

2018-05-01

We study the decay constants of pseudoscalar and vector B meson in the framework of light-cone quark model. We apply the variational method to the relativistic Hamiltonian with the Gaussian-type trial wave function to obtain the values of β (scale parameter). Then with the help of known values of constituent quark masses, we obtain the numerical results for the decay constants f_P and f_V, respectively. We compare our numerical results with the existing experimental data.

Comparative XAFS studies of some Cobalt complexes of (3-N- phenyl -thiourea-pentanone-2)

NASA Astrophysics Data System (ADS)

soni, Namrata; Parsai, Neetu; Mishra, Ashutosh

2016-10-01

XAFS spectroscopy is a useful method for determining the local structure around a specific atom in disordered systems. XAFS study of some cobalt complexes of (3-N-phenyle- thiourea-pentanon-2) is carried out using the latest XAFS analysis software Demeter with Strawberry Perl. The same study is also carried out theoretically using Mathcad software. It is found that the thiourea has significant influence in the spectra and the results obtained experimentally and theoretically are in agreement. Fourier transform of the experimental and theoretically generated XAFS have been taken to obtain first shell radial distance. The values so obtained are in agreement with each other.

Analytical Modeling of the High Strain Rate Deformation of Polymer Matrix Composites

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Roberts, Gary D.; Gilat, Amos

2003-01-01

The results presented here are part of an ongoing research program to develop strain rate dependent deformation and failure models for the analysis of polymer matrix composites subject to high strain rate impact loads. State variable constitutive equations originally developed for metals have been modified in order to model the nonlinear, strain rate dependent deformation of polymeric matrix materials. To account for the effects of hydrostatic stresses, which are significant in polymers, the classical 5 plasticity theory definitions of effective stress and effective plastic strain are modified by applying variations of the Drucker-Prager yield criterion. To verify the revised formulation, the shear and tensile deformation of a representative toughened epoxy is analyzed across a wide range of strain rates (from quasi-static to high strain rates) and the results are compared to experimentally obtained values. For the analyzed polymers, both the tensile and shear stress-strain curves computed using the analytical model correlate well with values obtained through experimental tests. The polymer constitutive equations are implemented within a strength of materials based micromechanics method to predict the nonlinear, strain rate dependent deformation of polymer matrix composites. In the micromechanics, the unit cell is divided up into a number of independently analyzed slices, and laminate theory is then applied to obtain the effective deformation of the unit cell. The composite mechanics are verified by analyzing the deformation of a representative polymer matrix composite (composed using the representative polymer analyzed for the correlation of the polymer constitutive equations) for several fiber orientation angles across a variety of strain rates. The computed values compare favorably to experimentally obtained results.

Unsteady Ejector Performance: an Experimental Investigation Using a Pulsejet Driver

NASA Technical Reports Server (NTRS)

Paxson, Daniel E.; Wilson, Jack; Dougherty, Kevin T.

2002-01-01

An experimental investigation is described in which thrust augmentation and mass entrainment were measured for a variety of simple cylindrical ejectors driven by a gasoline-fueled pulsejet. The ejectors were of varying length, diameter, and inlet radius. Measurements were also taken to determine the effect on performance of the distance between pulsejet exit and ejector inlet. Limited tests were also conducted to determine the effect of driver cross-sectional shape. Optimal values were found for all three ejector parameters with respect to thrust augmentation. This was not the case with mass entrainment, which increased monotonically with ejector diameter. Thus, it was found that thrust augmentation is not necessarily directly related to mass entrainment, as is often supposed for ejectors. Peak thrust augmentation values of 1.8 were obtained. Peak mass entrainment values of 30 times the driver mass flow were also observed. Details of the experimental setup and results are presented. Preliminary analysis of the results indicates that the enhanced performance obtained with an unsteady jet (primary source) over comparably sized ejectors driven with steady jets is due primarily to the structure of the starting vortex-type flow associated with the former.

Quasi-isentropic compressibility of a strongly nonideal deuterium plasma at pressures of up to 5500 GPa: Nonideality and degeneracy effects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mochalov, M. A., E-mail: postmaster@ifv.vniief.ru; Il’kaev, R. I.; Fortov, V. E.

We report on the experimental results on the quasi-isentropic compressibility of a strongly nonideal deuterium plasma that have been obtained on setups of cylindrical and spherical geometries in the pressure range of up to P ≈ 5500 GPa. We describe the characteristics of experimental setups, as well as the methods for the diagnostics and interpretation of the experimental results. The trajectory of metal shells that compress the deuterium plasma was detected using powerful pulsed X-ray sources with a maximal electron energy of up to 60 MeV. The values of the plasma density, which varied from ρ ≈ 0.8 g/cm{sup 3}more » to ρ ≈ 6 g/cm{sup 3}, which corresponds to pressure P ≈ 5500 GPa (55 Mbar), were determined from the measured value of the shell radius at the instant that it was stopped. The pressure of the compressed plasma was determined using gasdynamic calculations taking into account the actual characteristics of the experimental setups. We have obtained a strongly compressed deuterium plasma in which electron degeneracy effects under the conditions of strong interparticle interaction are significant. The experimental results have been compared with the theoretical models of a strongly nonideal partly degenerate plasma. We have obtained experimental confirmation of the plasma phase transition in the pressure range near 150 GPa (1.5 Mbar), which is in keeping with the conclusion concerning anomaly in the compressibility of the deuterium plasma drawn in [1].« less

Structure, IR and Raman spectra of phosphotrihydrazide studied by DFT

NASA Astrophysics Data System (ADS)

Furer, V. L.; Vandyukov, A. E.; Majoral, J. P.; Caminade, A. M.; Kovalenko, V. I.

2016-09-01

The FTIR and FT Raman measurements of the phosphotrihydrazide (S)P[N(Me)-NH2]3 have been performed. This compound is a zero generation dendrimer G0 with terminal amine groups. Structural optimization and normal mode analysis were obtained for G0 by the density functional theory (DFT). Optimized geometric bond length and angles obtained by DFT show good agreement with experiment. The amine terminal groups are characterized by the well-defined bands at 3321, 3238, 1614 cm- 1 in the experimental IR spectrum and by bands at 3327, 3241 cm- 1 in the Raman spectrum of G0. The experimental frequencies of asymmetric and symmetric NH2 stretching vibrations of amine group are lower than theoretical values due to intramolecular Nsbnd H ⋯ S hydrogen bond. This hydrogen bond is also responsible for higher experimental infrared intensity of these bands as compared with theoretical values. Relying on DFT calculations a complete vibrational assignment is proposed for the studied dendrimer.

Evaluation of generalized heat-transfer coefficients in pilot AFBC units

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grewal, N.S.

Experimental data for heat transfer rates as obtained in a 0.209m/sup 2/ AFBC unit at the GFETC is examined in the light of the existing four correlations for heat transfer coefficient between an immersed staggered array of horizontal tubes and a gas-solid fluidized bed. The predicted values of heat transfer coefficient from the correlations proposed by Grewal and Bansal are found to be in good agreement with the experimental values of heat transfer coefficient when the contribution due to radiation is also included.

Evaluation of generalized heat transfer coefficients in pilot AFBC units

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grewal, N.S.

Experimental data for heat transfer rates as obtained in a 0.209m/sup 2/ AFBC unit at the GFETC is examined in the light of the existing four correlations for heat transfer coefficient between an immersed staggered array of horizontal tubes and a gas-solid fluidized bed. The predicted values of heat transfer coefficient from the correlations proposed by Grewal and Bansal are found to be in good agreement with the experimental values of heat transfer coefficient when the contribution due to radiation is also included.

Interactive boundary-layer calculations of a transonic wing flow

NASA Technical Reports Server (NTRS)

Kaups, Kalle; Cebeci, Tuncer; Mehta, Unmeel

1989-01-01

Results obtained from iterative solutions of inviscid and boundary-layer equations are presented and compared with experimental values. The calculated results were obtained with an Euler code and a transonic potential code in order to furnish solutions for the inviscid flow; they were interacted with solutions of two-dimensional boundary-layer equations having a strip-theory approximation. Euler code results are found to be in better agreement with the experimental data than with the full potential code, especially in the presence of shock waves, (with the sole exception of the near-tip region).

Level Energies, Oscillator Strengths and Lifetimes for Transitions in Pb IV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Colon, C.; Alonso-Medina, A.; Zanon, A.

2008-10-22

Oscillator strengths for several lines of astrophysical interest arising from some configurations and some levels radiative lifetimes of Pb IV have been calculated. These values were obtained in intermediate coupling (IC) and using ab initio relativistic Hartree-Fock calculations. We use for the IC calculations the standard method of least square fitting of experimental energy levels by means of computer codes from Cowan. Transition Probabilities and oscillator strengths obtained, although in general agreement with the rare experimental data, do present some noticeable discrepancies that are studied in the text.

Proposed method to estimate the liquid-vapor accommodation coefficient based on experimental sonoluminescence data.

PubMed

Puente, Gabriela F; Bonetto, Fabián J

2005-05-01

We used the temporal evolution of the bubble radius in single-bubble sonoluminescence to estimate the water liquid-vapor accommodation coefficient. The rapid changes in the bubble radius that occur during the bubble collapse and rebounds are a function of the actual value of the accommodation coefficient. We selected bubble radius measurements obtained from two different experimental techniques in conjunction with a robust parameter estimation strategy and we obtained that for water at room temperature the mass accommodation coefficient is in the confidence interval [0.217,0.329].

Fatigue crack growth in unidirectional metal matrix composite

NASA Technical Reports Server (NTRS)

Ghosn, Louis J.; Telesman, Jack; Kantzos, Peter

1990-01-01

The weight function method was used to determine the effective stress intensity factor and the crack opening profile for a fatigue tested composite which exhibited fiber bridging. The bridging mechanism was modeled using two approaches; the crack closure approach and the shear lag approach. The numerically determined stress intensity factor values from both methods were compared and correlated with the experimentally obtained crack growth rates for SiC/Ti-15-3 (0)(sub 8) oriented composites. The near crack tip opening profile was also determined for both methods and compared with the experimentally obtained measurements.

Validating proposed migration equation and parameters' values as a tool to reproduce and predict 137Cs vertical migration activity in Spanish soils.

PubMed

Olondo, C; Legarda, F; Herranz, M; Idoeta, R

2017-04-01

This paper shows the procedure performed to validate the migration equation and the migration parameters' values presented in a previous paper (Legarda et al., 2011) regarding the migration of 137 Cs in Spanish mainland soils. In this paper, this model validation has been carried out checking experimentally obtained activity concentration values against those predicted by the model. This experimental data come from the measured vertical activity profiles of 8 new sampling points which are located in northern Spain. Before testing predicted values of the model, the uncertainty of those values has been assessed with the appropriate uncertainty analysis. Once establishing the uncertainty of the model, both activity concentration values, experimental versus model predicted ones, have been compared. Model validation has been performed analyzing its accuracy, studying it as a whole and also at different depth intervals. As a result, this model has been validated as a tool to predict 137 Cs behaviour in a Mediterranean environment. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effects of different crystal faces on the surface charge of colloidal goethite (α-FeOOH) particles: an experimental and modeling study

NASA Astrophysics Data System (ADS)

Gaboriaud, Fabien; Ehrhardt, Jean-Jacques

2003-03-01

The surface charge of colloidal particles is usually determined by potentiometric titration. These acid-base titrations make it possible to measure the pH of point-of-zero charge (pzc) for oxide minerals. This macroscopic property is the most important parameter used in surface complexation modeling to reproduce experimental data. The pzc values of goethite reported in the literature vary between 7.0 and 9.5. Carbonate adsorption and/or surface morphology are thought to account for this wide range. We demonstrate a procedure for the removal of the carbonate ions that initially adsorb on goethite and strongly affect the titration curves and pzc determination. We also investigated the crystal-face-specific reactivity of two morphologically different goethites. The z-profiles obtained from atomic force microscopy (AFM) images showed that the goethite with the smallest specific surface area ( S = 49 m 2/g, denoted G49) exhibits 70% of the (001) face, whereas this value is only 30% for the goethite with largest specific surface area ( S = 95 m 2/g, denoted G95). This morphologic difference results in slightly different pzc values: 9.0 for G49 goethite and 9.1 for G95 geothite. These experimental pzc values have been correlated with multisite complexation calculations using both the full-site and the 1-pK approaches. We used the full-site approach to consider all of the configurations of hydrogen bond interactions with surface site. The resulting mean charges gave estimated pzc values of 8.9 and 9.2 for the (001) and (101) faces, respectively. Considering these theoretical pzc values for individual faces and the face distributions obtained from AFM analysis, the calculated pzc values are in full agreement with the experimental pzc values. However, this morphologic difference is more expressed in surface charge values than in the pzc values. Indeed, the surface charge of G49 goethite is much higher than that of G95 goethite, and the 1-pK calculations make it possible to fit the titration data satisfactorily.

Computational fluid dynamics vs. inverse dynamics methods to determine passive drag in two breaststroke glide positions.

PubMed

Costa, L; Mantha, V R; Silva, A J; Fernandes, R J; Marinho, D A; Vilas-Boas, J P; Machado, L; Rouboa, A

2015-07-16

Computational fluid dynamics (CFD) plays an important role to quantify, understand and "observe" the water movements around the human body and its effects on drag (D). We aimed to investigate the flow effects around the swimmer and to compare the drag and drag coefficient (CD) values obtained from experiments (using cable velocimetry in a swimming pool) with those of CFD simulations for the two ventral gliding positions assumed during the breaststroke underwater cycle (with shoulders flexed and upper limbs extended above the head-GP1; with shoulders in neutral position and upper limbs extended along the trunk-GP2). Six well-trained breaststroke male swimmers (with reasonable homogeneity of body characteristics) participated in the experimental tests; afterwards a 3D swimmer model was created to fit within the limits of the sample body size profile. The standard k-ε turbulent model was used to simulate the fluid flow around the swimmer model. Velocity ranged from 1.30 to 1.70 m/s for GP1 and 1.10 to 1.50 m/s for GP2. Values found for GP1 and GP2 were lower for CFD than experimental ones. Nevertheless, both CFD and experimental drag/drag coefficient values displayed a tendency to jointly increase/decrease with velocity, except for GP2 CD where CFD and experimental values display opposite tendencies. Results suggest that CFD values obtained by single model approaches should be considered with caution due to small body shape and dimension differences to real swimmers. For better accuracy of CFD studies, realistic individual 3D models of swimmers are required, and specific kinematics respected. Copyright © 2015 Elsevier Ltd. All rights reserved.

Equation of state for solids with high accuracy and satisfying the limitation condition at high pressure

NASA Astrophysics Data System (ADS)

Jiuxun, Sun; Qiang, Wu; Lingcang, Cai; Fuqian, Jing

2006-01-01

An equation of state (EOS) with high accuracy is proposed to strictly satisfy the Fermi gas limitation condition at high pressure. The EOS (SJX EOS) is a modification of the effective Rydberg (ER2) EOS. Instead of Holzapfel's method to directly modify the ER2 EOS, one modifying term is added to the ER2 EOS to make it not only satisfy the high pressure limitation condition, but also to avoid the disadvantages occurring in the Holzapfel and ‘adapted polynomial expansion of the order 3’ (AP3) EOSs. The two-parameter ER2, Holzapfel, and three-parameter SJX, AP3, Kumari and Dass (KD) EOSs are applied to 50 materials to fit all experimental compression data available. The five EOSs also are applied to 37 of the 50 materials to fit experimental compression data at low-pressure ranges. The results show that for all pressure ranges the AP3 EOS gives the best fitting results; the SJX, ER2, Holzapfel and KD EOSs sequentially give inferior results. Otherwise, it is shown that the values of B0, B0‧ and B0″ are different for different EOSs and also, within one EOS, for high and low-pressure ranges. The SJX EOS gives the best consistency between the values obtained by fitting all experimental data available, and the experimental data at low-pressure ranges, respectively. The AP3 EOS gives the worst results. The differences of the values of B0, B0‧ and B0″ obtained for the ER2, Holzapfel and KD EOSs with those obtained for the SJX EOS are large at high-pressure ranges, but decrease at low-pressure ranges. At present, the newest experimental compression data, within the widest compression range, are available for solid n-H 2. The values of B0, B0‧ and B0″ fitted by using the SJX EOS are almost in agreement with these experimental data. The ER2 EOS gives inferior values, and other EOSs give fairly bad results. For the predicted compression curves and the cohesive energy, the SJX EOS gives the best results; the AP3 EOS gives the worst results, even for many solids the AP3 EOS cannot give physically correct results for the cohesive energy. The analysis shows that for such solids, the variation of pressure and energy versus compression ratio calculated by using the AP3 EOS would oscillate, physically incorrectly. Although the AP3 EOS has the best fitting ability to the pressures, it has the worst predicting ability, and fails to be a universal EOS. The SJX EOS is recommended and can be taken as a candidate of universal EOSs to predict compression curves of solids in a wide pressure range only using the values of B0, B0‧ and B0″ obtained from low-pressure data.

Measurement of thermal neutrons reflection coefficients for two-layer reflectors.

PubMed

Azimkhani, S; Zolfagharpour, F; Ziaie, F

2018-05-01

In this research, thermal neutrons albedo coefficients and relative number of excess counts have been measured experimentally for different thicknesses of two-layer reflectors by using 241 Am-Be neutron source (5.2Ci) and BF 3 detector. Our used reflectors consist of two-layer which are combinations of water, graphite, polyethylene, and lead materials. Experimental results reveal that thermal neutron reflection coefficients slightly increased by addition of the second layer. The maximum value of growth for thermal neutrons albedo is obtained for lead-polyethylene compound (0.72 ± 0.01). Also, there is suitable agreement between the experimental values and simulation results by using MCNPX code. Copyright © 2018 Elsevier Ltd. All rights reserved.

A review of reaction rates in high temperature air

NASA Technical Reports Server (NTRS)

Park, Chul

1989-01-01

The existing experimental data on the rate coefficients for the chemical reactions in nonequilibrium high temperature air are reviewed and collated, and a selected set of such values is recommended for use in hypersonic flow calculations. For the reactions of neutral species, the recommended values are chosen from the experimental data that existed mostly prior to 1970, and are slightly different from those used previously. For the reactions involving ions, the recommended rate coefficients are newly chosen from the experimental data obtained more recently. The reacting environment is assumed to lack thermal equilibrium, and the rate coefficients are expressed as a function of the controlling temperature, incorporating the recent multitemperature reaction concept.

True detection limits in an experimental linearly heteroscedastic system.. Part 2

NASA Astrophysics Data System (ADS)

Voigtman, Edward; Abraham, Kevin T.

2011-11-01

Despite much different processing of the experimental fluorescence detection data presented in Part 1, essentially the same estimates were obtained for the true theoretical Currie decision levels ( YC and XC) and true Currie detection limits ( YD and XD). The obtained experimental values, for 5% probability of false positives and 5% probability of false negatives, were YC = 56.0 mV, YD = 125. mV, XC = 0.132 μg/mL and XD = 0.293 μg/mL. For 5% probability of false positives and 1% probability of false negatives, the obtained detection limits were YD = 158 . mV and XD = 0.371 μg/mL. Furthermore, by using bootstrapping methodology on the experimental data for the standards and the analytical blank, it was possible to validate previously published experimental domain expressions for the decision levels ( yC and xC) and detection limits ( yD and xD). This was demonstrated by testing the generated decision levels and detection limits for their performance in regard to false positives and false negatives. In every case, the obtained numbers of false negatives and false positives were as specified a priori.

Rectal temperature responses of donkeys administered with ascorbic acid and subjected to load carrying (packing) during the harmattan season in Nigeria.

PubMed

Olaifa, Folashade; Ayo, Joseph Olusegun; Ambali, Suleiman Folorunsho; Rekwot, Peter Ibrahim; Minka, Ndazo Salka

2013-02-01

The aim of the experiment was to evaluate the effect of 4-h load carrying (packing) on donkeys administered with ascorbic acid (AA) during the harmattan season. Six donkeys administered orally with ascorbic acid (200 mg/kg) and subjected to packing served as experimental animals, while six others given only distilled water served as control animals. The rectal temperature (RT) of each donkey and dry-bulb temperature (DBT) and relative humidity (RH) of the research pen were recorded at 0600 hours pre-packing; while post-packing, the values were obtained at 1430, 1600 and 1800 hours. The DBT values (ranges) recorded before, during and after packing were 13.7 ± 1.3 °C (11-15 °C), 28.4 ± 1.0 °C (22.7-30.3 °C) and 30.6 ± 3.0 °C (19.8-45 °C), respectively. The highest temperature-humidity index (THI) of 83.4 ± 6.9 was obtained at 1430 hours after packing, and the value decreased to 64.2 ± 5.8 at 1800 hours. The thermal environmental conditions were outside the thermoneutral zone for the donkeys. The RT values recorded immediately after packing did not differ (P > 0.05) in experimental and control donkeys; but at 1600 and 1800 hours, values obtained in control donkeys (38.48 ± 0.12 and 38.12 ± 0.12 °C, respectively) were significantly higher (P < 0.05) than those recorded in experimental donkeys (38.16 ± 0.14 and 37.85 ± 0.14 °C, respectively). In conclusion, administration of ascorbic acid reduced the rise in RT due to packing and may be of value in the amelioration of adverse effects of heat stress associated with work in donkeys.

Thermal-Diffusivity Measurements of Mexican Citrus Essential Oils Using Photoacoustic Methodology in the Transmission Configuration

NASA Astrophysics Data System (ADS)

Muñoz, G. A. López; González, R. F. López; López, J. A. Balderas; Martínez-Pérez, L.

2011-05-01

Photoacoustic methodology in the transmission configuration (PMTC) was used to study the thermophysical properties and their relation with the composition in Mexican citrus essential oils providing the viability of using photothermal techniques for quality control and for authentication of oils and their adulteration. Linear relations for the amplitude (on a semi-log scale) and phase, as functions of the sample's thickness, for the PMTC was obtained through a theoretical model fit to the experimental data for thermal-diffusivity measurements in Mexican orange, pink grapefruit, mandarin, lime type A, centrifuged essential oils, and Mexican distilled lime essential oil. Gas chromatography for distilled lime essential oil and centrifuged lime essential oil type A is reported to complement the study. Experimental results showed close thermal-diffusivity values between Mexican citrus essential oils obtained by centrifugation, but a significant difference of this physical property for distilled lime oil and the corresponding value obtained by centrifugation, which is due to their different chemical compositions involved with the extraction processes.

Determining octanol-water partition coefficients for extremely hydrophobic chemicals by combining "slow stirring" and solid-phase microextraction.

PubMed

Jonker, Michiel T O

2016-06-01

Octanol-water partition coefficients (KOW ) are widely used in fate and effects modeling of chemicals. Still, high-quality experimental KOW data are scarce, in particular for very hydrophobic chemicals. This hampers reliable assessments of several fate and effect parameters and the development and validation of new models. One reason for the limited availability of experimental values may relate to the challenging nature of KOW measurements. In the present study, KOW values for 13 polycyclic aromatic hydrocarbons were determined with the gold standard "slow-stirring" method (log KOW 4.6-7.2). These values were then used as reference data for the development of an alternative method for measuring KOW . This approach combined slow stirring and equilibrium sampling of the extremely low aqueous concentrations with polydimethylsiloxane-coated solid-phase microextraction fibers, applying experimentally determined fiber-water partition coefficients. It resulted in KOW values matching the slow-stirring data very well. Therefore, the method was subsequently applied to a series of 17 moderately to extremely hydrophobic petrochemical compounds. The obtained KOW values spanned almost 6 orders of magnitude, with the highest value measuring 10(10.6) . The present study demonstrates that the hydrophobicity domain within which experimental KOW measurements are possible can be extended with the help of solid-phase microextraction and that experimentally determined KOW values can exceed the proposed upper limit of 10(9) . Environ Toxicol Chem 2016;35:1371-1377. © 2015 SETAC. © 2015 SETAC.

Triple point determinations of monomethylhydrazine and nitrogen tetroxide, 2.2 percent by weight nitric oxide

NASA Technical Reports Server (NTRS)

Smith, Irwin D.; Dhooge, Patrick M.

1977-01-01

A series of tests was performed to ascertain the triple points of monomethylhydrazine and nitrogen tetroxide. A laboratory method indicated a triple point for monomethylhydrazine, but tests in a large vacuum chamber indicated that a triple point does not occur in spacelike conditions because the mono-methylhydrazine tends to supercool. Instead, an effective freezing point (with agitation) was obtained. New experimental values for liquid monomethylhydrazine vapor pressure were determined for temperatures from 275.2 to 207.6 K. The values were used to derive vapor pressure equations. Tentative values were obtained for the effective freezing point of nitrogen tetroxide spacelike conditions.

A model for prediction of color change after tooth bleaching based on CIELAB color space

NASA Astrophysics Data System (ADS)

Herrera, Luis J.; Santana, Janiley; Yebra, Ana; Rivas, María. José; Pulgar, Rosa; Pérez, María. M.

2017-08-01

An experimental study aiming to develop a model based on CIELAB color space for prediction of color change after a tooth bleaching procedure is presented. Multivariate linear regression models were obtained to predict the L*, a*, b* and W* post-bleaching values using the pre-bleaching L*, a*and b*values. Moreover, univariate linear regression models were obtained to predict the variation in chroma (C*), hue angle (h°) and W*. The results demonstrated that is possible to estimate color change when using a carbamide peroxide tooth-bleaching system. The models obtained can be applied in clinic to predict the colour change after bleaching.

A Permeability Study of O2 and the Trace Amine p-Tyramine through Model Phosphatidylcholine Bilayers

PubMed Central

Holland, Bryan W.; Berry, Mark D.; Gray, C. G.; Tomberli, Bruno

2015-01-01

We study here the permeability of the hydrophobic O2 molecule through a model DPPC bilayer at 323K and 350K, and of the trace amine p-tyramine through PC bilayers at 310K. The tyramine results are compared to previous experimental work at 298K. Nonequilibrium work methods were used in conjunction to simultaneously obtain both the potential of mean force (PMF) and the position dependent transmembrane diffusion coefficient, D(z), from the simulations. These in turn were used to calculate the permeability coefficient, P, through the inhomogeneous solubility-diffusion model. The results for O2 are consistent with previous simulations, and agree with experimentally measured P values for PC bilayers. A temperature dependence in the permeability of O2 through DPPC was obtained, with P decreasing at higher temperatures. Two relevant species of p-tyramine were simulated, from which the PMF and D(z) were calculated. The charged species had a large energetic barrier to crossing the bilayer of ~ 21 kcal/mol, while the uncharged, deprotonated species had a much lower barrier of ~ 7 kcal/mol. The effective in silico permeability for p-tyramine was calculated by applying three approximations, all of which gave nearly identical results (presented here as a function of the pKa). As the permeability value calculated from simulation was highly dependent on the pKa of the amine group, a further pKa study was performed that also varied the fraction of the uncharged and zwitterionic p-tyramine species. Using the experimental P value together with the simulated results, we were able to label the phenolic group as responsible for the pKa1 and the amine for the pKa2, that together represent all of the experimentally measured pKa values for p-tyramine. This agrees with older experimental results, in contrast to more recent work that has suggested there is a strong ambiguity in the pKa values. PMID:26086933

Development and validation of a numerical model of the swine head subjected to open-field blasts

NASA Astrophysics Data System (ADS)

Kalra, A.; Zhu, F.; Feng, K.; Saif, T.; Kallakuri, S.; Jin, X.; Yang, K.; King, A.

2017-11-01

A finite element model of the head of a 55-kg Yucatan pig was developed to calculate the incident pressure and corresponding intracranial pressure due to the explosion of 8 lb (3.63 kg) of C4 at three different distances. The results from the model were validated by comparing findings with experimentally obtained data from five pigs at three different blast overpressure levels: low (150 kPa), medium (275 kPa), and high (400 kPa). The peak values of intracranial pressures from numerical model at different locations of the brain such as the frontal, central, left temporal, right temporal, parietal, and occipital regions were compared with experimental values. The model was able to predict the peak pressure with reasonable percentage differences. The differences for peak incident and intracranial pressure values between the simulation results and the experimental values were found to be less than 2.2 and 29.3%, respectively, at all locations other than the frontal region. Additionally, a series of parametric studies shows that the intracranial pressure was very sensitive to sensor locations, the presence of air bubbles, and reflections experienced during the experiments. Further efforts will be undertaken to correlate the different biomechanical response parameters, such as the intracranial pressure gradient, stress, and strain results obtained from the validated model with injured brain locations once the histology data become available.

Prompt increase of ultrashort laser pulse transmission through thin silver films

NASA Astrophysics Data System (ADS)

Bezhanov, S. G.; Danilov, P. A.; Klekovkin, A. V.; Kudryashov, S. I.; Rudenko, A. A.; Uryupin, S. A.

2018-03-01

We study experimentally and numerically the increase in ultrashort laser pulse transmissivity through thin silver films caused by the heating of electrons. Low to moderate energy femtosecond laser pulse transmission measurements through 40-125 nm thickness silver films were carried out. We compare the experimental data with the values of transmitted fraction of energy obtained by solving the equations for the field together with the two-temperature model. The measured values were fitted with sufficient accuracy by varying the electron-electron collision frequency whose exact values are usually poorly known. Since transmissivity experiences more pronounced changes with the increase in temperature compared to reflectivity, we suggest this technique for studying the properties of nonequilibrium metals.

An empirical model for parameters affecting energy consumption in boron removal from boron-containing wastewaters by electrocoagulation.

PubMed

Yilmaz, A Erdem; Boncukcuoğlu, Recep; Kocakerim, M Muhtar

2007-06-01

In this study, it was investigated parameters affecting energy consumption in boron removal from boron containing wastewaters prepared synthetically, via electrocoagulation method. The solution pH, initial boron concentration, dose of supporting electrolyte, current density and temperature of solution were selected as experimental parameters affecting energy consumption. The obtained experimental results showed that boron removal efficiency reached up to 99% under optimum conditions, in which solution pH was 8.0, current density 6.0 mA/cm(2), initial boron concentration 100mg/L and solution temperature 293 K. The current density was an important parameter affecting energy consumption too. High current density applied to electrocoagulation cell increased energy consumption. Increasing solution temperature caused to decrease energy consumption that high temperature decreased potential applied under constant current density. That increasing initial boron concentration and dose of supporting electrolyte caused to increase specific conductivity of solution decreased energy consumption. As a result, it was seen that energy consumption for boron removal via electrocoagulation method could be minimized at optimum conditions. An empirical model was predicted by statistically. Experimentally obtained values were fitted with values predicted from empirical model being as following; [formula in text]. Unfortunately, the conditions obtained for optimum boron removal were not the conditions obtained for minimum energy consumption. It was determined that support electrolyte must be used for increase boron removal and decrease electrical energy consumption.

Thermodynamics of enzyme-catalyzed esterifications: II. Levulinic acid esterification with short-chain alcohols.

PubMed

Altuntepe, Emrah; Emel'yanenko, Vladimir N; Forster-Rotgers, Maximilian; Sadowski, Gabriele; Verevkin, Sergey P; Held, Christoph

2017-10-01

Levulinic acid was esterified with methanol, ethanol, and 1-butanol with the final goal to predict the maximum yield of these equilibrium-limited reactions as function of medium composition. In a first step, standard reaction data (standard Gibbs energy of reaction Δ R g 0 ) were determined from experimental formation properties. Unexpectedly, these Δ R g 0 values strongly deviated from data obtained with classical group contribution methods that are typically used if experimental standard data is not available. In a second step, reaction equilibrium concentrations obtained from esterification catalyzed by Novozym 435 at 323.15 K were measured, and the corresponding activity coefficients of the reacting agents were predicted with perturbed-chain statistical associating fluid theory (PC-SAFT). The so-obtained thermodynamic activities were used to determine Δ R g 0 at 323.15 K. These results could be used to cross-validate Δ R g 0 from experimental formation data. In a third step, reaction-equilibrium experiments showed that equilibrium position of the reactions under consideration depends strongly on the concentration of water and on the ratio of levulinic acid: alcohol in the initial reaction mixtures. The maximum yield of the esters was calculated using Δ R g 0 data from this work and activity coefficients of the reacting agents predicted with PC-SAFT for varying feed composition of the reaction mixtures. The use of the new Δ R g 0 data combined with PC-SAFT allowed good agreement to the measured yields, while predictions based on Δ R g 0 values obtained with group contribution methods showed high deviations to experimental yields.

Experimental study of a variable-capacitance micromotor with electrostatic suspension

NASA Astrophysics Data System (ADS)

Han, F. T.; Wu, Q. P.; Wang, L.

2010-11-01

A variable-capacitance micromotor where the rotor is supported electrostatically in five degrees of freedom was designed, fabricated and tested in order to study the behavior of this electrostatic motor. The micromachined device is based on a glass/silicon/glass stack bonding structure, fabricated by bulk micromachining and initially operated in atmospheric environment. The analytical torque model is obtained by calculating the capacitances between different stator electrodes and the rotor. Capacitance values in the order of 10-13 pF and torque values in the order of 10-10 N m have been calculated from the motor geometry and attainable drive voltage. A dynamic model of the motor is proposed by further estimating the air-film damping effect in an effort to explain the experimental rotation measurements. Experimental results of starting voltage, continuous operation, switching response and electric bearing of the micromotor are presented and discussed. Preliminary measurements indicate that a rotor rotating speed of 73.3 r min-1 can be achieved at a drive voltage of 28.3 V, equivalent to a theoretical motive torque of 517 pN m. Starting voltage results obtained from experimental measurement are in agreement with the developed dynamic model.

Hydrodynamic Characteristics of Two Low-Drag Supercavitating Hydrofoils

NASA Technical Reports Server (NTRS)

McGehee, John R.; Johnson, Virgil E., Jr.

1959-01-01

An experimental investigation has been conducted in Langley tank no. 2 to determine the hydrodynamic characteristics of two low-drag supercavitating hydrofoils operating in a range of cavitation numbers from 0 to approximately 6. The hydrofoils had aspect ratios of 1 and 3, and the sections were derived by assuming five terms in the vorticity-distribution expansion of the equivalent airfoil. The aspect-ratio-1 hydrofoil was also tested at zero cavitation number with two sets of end plates having depths of 3/8 and 1/4 chords. Zero cavitation number was established by operating the hydrofoils near the water surface so that complete ventilation of the upper surfaces could be obtained. For those depths of submersion where complete ventilation was not obtained through vortex ventilation, two probes were used to introduce air to the upper surfaces of the hydrofoils and to induce complete ventilation. Data were obtained for a range of speeds from 20 to 80 fps, angles of attack from 2 to 20 deg, and ratios of depth of submersion to chord from 0 to 0.85. The experimental results obtained from the aspect-ratio-1 and aspect-ratio-3, five-term hydrofoils were compared with a three-dimensional zero-cavitation-number theory. The theoretical and experimental values of lift and center of pressure for the aspect-ratio-1 hydrofoil were in agreement, within engineering accuracy, for the range of lift coefficients investigated. The theoretical drag coefficients were lower, by a constant amount, than the experimental drag coefficients. The theoretical expressions derived for the lift, drag, and center of pressure of the aspect-ratio-3 hydrofoil were in agreement, within engineering accuracy, with the experimental values. The theoretical and experimental drag coefficients of the aspect-ratio-3 five-term hydrofoil were lower than the theoretical drag coefficients computed for a comparable Tulin-Burkart hydrofoil.

Research of vibration control based on current mode piezoelectric shunt damping circuit

NASA Astrophysics Data System (ADS)

Liu, Weiwei; Mao, Qibo

2017-12-01

The piezoelectric shunt damping circuit using current mode approach is imposed to control the vibration of a cantilever beam. Firstly, the simulated inductance with large values are designed for the corresponding RL series shunt circuits. Moreover, with an example of cantilever beam, the second natural frequency of the beam is targeted to control for experiment. By adjusting the values of the equivalent inductance and equivalent resistance of the shunt circuit, the optimal damping of the shunt circuit is obtained. Meanwhile, the designed piezoelectric shunt damping circuit stability is experimental verified. Experimental results show that the proposed piezoelectric shunt damping circuit based on current mode circuit has good vibration control performance. However, the control performance will be reduced if equivalent inductance and equivalent resistance values deviate from optimal values.

Wave transmission approach based on modal analysis for embedded mechanical systems

NASA Astrophysics Data System (ADS)

Cretu, Nicolae; Nita, Gelu; Ioan Pop, Mihail

2013-09-01

An experimental method for determining the phase velocity in small solid samples is proposed. The method is based on measuring the resonant frequencies of a binary or ternary solid elastic system comprising the small sample of interest and a gauge material of manageable size. The wave transmission matrix of the combined system is derived and the theoretical values of its eigenvalues are used to determine the expected eigenfrequencies that, equated with the measured values, allow for the numerical estimation of the phase velocities in both materials. The known phase velocity of the gauge material is then used to asses the accuracy of the method. Using computer simulation and the experimental values for phase velocities, the theoretical values for the eigenfrequencies of the eigenmodes of the embedded elastic system are obtained, to validate the method. We conclude that the proposed experimental method may be reliably used to determine the elastic properties of small solid samples whose geometries do not allow a direct measurement of their resonant frequencies.

Numerical model updating technique for structures using firefly algorithm

NASA Astrophysics Data System (ADS)

Sai Kubair, K.; Mohan, S. C.

2018-03-01

Numerical model updating is a technique used for updating the existing experimental models for any structures related to civil, mechanical, automobiles, marine, aerospace engineering, etc. The basic concept behind this technique is updating the numerical models to closely match with experimental data obtained from real or prototype test structures. The present work involves the development of numerical model using MATLAB as a computational tool and with mathematical equations that define the experimental model. Firefly algorithm is used as an optimization tool in this study. In this updating process a response parameter of the structure has to be chosen, which helps to correlate the numerical model developed with the experimental results obtained. The variables for the updating can be either material or geometrical properties of the model or both. In this study, to verify the proposed technique, a cantilever beam is analyzed for its tip deflection and a space frame has been analyzed for its natural frequencies. Both the models are updated with their respective response values obtained from experimental results. The numerical results after updating show that there is a close relationship that can be brought between the experimental and the numerical models.

Acid-base properties of the N3 ruthenium(II) solar cell sensitizer: a combined experimental and computational analysis.

PubMed

Pizzoli, Giuliano; Lobello, Maria Grazia; Carlotti, Benedetta; Elisei, Fausto; Nazeeruddin, Mohammad K; Vitillaro, Giuseppe; De Angelis, Filippo

2012-10-14

We report a combined spectro-photometric and computational investigation of the acid-base equilibria of the N3 solar cell sensitizer [Ru(dcbpyH(2))(2)(NCS)(2)] (dcbpyH(2) = 4,4'-dicarboxyl-2,2' bipyridine) in aqueous/ethanol solutions. The absorption spectra of N3 recorded at various pH values were analyzed by Single Value Decomposition techniques, followed by Global Fitting procedures, allowing us to identify four separate acid-base equilibria and their corresponding ground state pK(a) values. DFT/TDDFT calculations were performed for the N3 dye in solution, investigating the possible relevant species obtained by sequential deprotonation of the four dye carboxylic groups. TDDFT excited state calculations provided UV-vis absorption spectra which nicely agree with the experimental spectral shapes at various pH values. The calculated pK(a) values are also in good agreement with experimental data, within <1 pK(a) unit. Based on the calculated energy differences a tentative assignment of the N3 deprotonation pathway is reported.

Modeling of exposure to carbon monoxide in fires

NASA Technical Reports Server (NTRS)

Cagliostro, D. E.

1980-01-01

A mathematical model is developed to predict carboxyhemoglobin concentrations in regions of the body for short exposures to carbon monoxide levels expected during escape from aircraft fires. The model includes the respiratory and circulatory dynamics of absorption and distribution of carbon monoxide and carboxyhemoglobin. Predictions of carboxyhemoglobin concentrations are compared to experimental values obtained for human exposures to constant high carbon monoxide levels. Predictions are within 20% of experimental values. For short exposure times, transient concentration effects are predicted. The effect of stress is studied and found to increase carboxyhemoglobin levels substantially compared to a rest state.

Properties of Energy Spectra of Molecular Crystals Investigated by Nonlinear Theory

NASA Astrophysics Data System (ADS)

Pang, Xiao-Feng; Zhang, Huai-Wu

We calculate the quantum energy spectra of molecular crystals, such as acetanilide, by using discrete nonlinear Schrodinger equation, containing various interactions, appropriate to the systems. The energy spectra consist of many energy bands, in each energy band there are a lot of energy levels including some higher excited states. The result of energy spectrum is basically consistent with experimental values obtained by infrared absorption and Raman scattering in acetanilide and can also explain some experimental results obtained by Careri et al. Finally, we further discuss the influences of variously characteristic parameters on the energy spectra of the systems.

The Influence of Specimen Type on Tensile Fracture Toughness of Rock Materials

NASA Astrophysics Data System (ADS)

Aliha, Mohammad Reza Mohammad; Mahdavi, Eqlima; Ayatollahi, Majid Reza

2017-03-01

Up to now, several methods have been proposed to determine the mode I fracture toughness of rocks. In this research, different cylindrical and disc shape samples, namely: chevron bend (CB), short rod (SR), cracked chevron notched Brazilian disc (CCNBD), and semi-circular bend (SCB) specimens were considered for investigating mode I fracture behavior of a marble rock. It is shown experimentally that the fracture toughness values of the tested rock material obtained from different test specimens are not consistent. Indeed, depending on the geometry and loading type of the specimen, noticeable discrepancies can be observed for the fracture toughness of a same rock material. The difference between the experimental mode I fracture resistance results is related to the magnitude and sign of T-stress that is dependent on the geometry and loading configuration of the specimen. For the chevron-notched samples, the critical value of T-stress corresponding to the critical crack length was determined using the finite element method. The CCNBD and SR specimens had the most negative and positive T-stress values, respectively. The dependency of mode I fracture resistance to the T-stress was shown using the extended maximum tangential strain (EMTSN) criterion and the obtained experimental rock fracture toughness data were predicted successfully with this criterion.

Iodine oxidation by hydrogen peroxide and Bray-Liebhafsky oscillating reaction: effect of the temperature.

PubMed

Schmitz, Guy

2011-04-21

This work presents a new experimental kinetic study at 39° and 50° of the iodine oxidation by hydrogen peroxide. The results allow us to obtain the temperature effect on the rate constants previously proposed at 25° for our model of the Bray-Liebhafsky oscillating reaction (G. Schmitz, Phys. Chem. Chem. Phys. 2010, 12, 6605.). The values calculated with the model are in good agreement with many experimental results obtained under very different experimental conditions. Numerical simulations of the oscillations observed formerly by different authors are presented, including the evolutions of the iodine, hydrogen peroxide, iodide ions and oxygen concentrations. Special attention is paid to the perturbing effects of oxygen and of the iodine loss to the gas phase.

A novel approach to the experimental study on methane/steam reforming kinetics using the Orthogonal Least Squares method

NASA Astrophysics Data System (ADS)

Sciazko, Anna; Komatsu, Yosuke; Brus, Grzegorz; Kimijima, Shinji; Szmyd, Janusz S.

2014-09-01

For a mathematical model based on the result of physical measurements, it becomes possible to determine their influence on the final solution and its accuracy. However, in classical approaches, the influence of different model simplifications on the reliability of the obtained results are usually not comprehensively discussed. This paper presents a novel approach to the study of methane/steam reforming kinetics based on an advanced methodology called the Orthogonal Least Squares method. The kinetics of the reforming process published earlier are divergent among themselves. To obtain the most probable values of kinetic parameters and enable direct and objective model verification, an appropriate calculation procedure needs to be proposed. The applied Generalized Least Squares (GLS) method includes all the experimental results into the mathematical model which becomes internally contradicted, as the number of equations is greater than number of unknown variables. The GLS method is adopted to select the most probable values of results and simultaneously determine the uncertainty coupled with all the variables in the system. In this paper, the evaluation of the reaction rate after the pre-determination of the reaction rate, which was made by preliminary calculation based on the obtained experimental results over a Nickel/Yttria-stabilized Zirconia catalyst, was performed.

Experimental research of thermal loading of the rocket payload fairing element during the atmospheric phase of the descent trajectory

NASA Astrophysics Data System (ADS)

Trushlyakov, V.; Iordan, Yu; Davydovich, D.; Zharikov, K.; Dron, M.

2018-01-01

The thermal loading physical simulation in the experimental wind tunnel on the design element of the payload fairing made of carbon fiber was done. The experimental study is given in the speed range below 70 m/s, which corresponds to the interval of heights of the descent trajectory of the payload fairing half below 10 km. The values of heat transfer coefficient are obtained. The analysis of the results is carried out.

Determination of calibration constants for the hole-drilling residual stress measurement technique applied to orthotropic composites. II - Experimental evaluations

NASA Technical Reports Server (NTRS)

Prasad, C. B.; Prabhakaran, R.; Tompkins, S.

1987-01-01

The first step in the extension of the semidestructive hole-drilling technique for residual stress measurement to orthotropic composite materials is the determination of the three calibration constants. Attention is presently given to an experimental determination of these calibration constants for a highly orthotropic, unidirectionally-reinforced graphite fiber-reinforced polyimide composite. A comparison of the measured values with theoretically obtained ones shows agreement to be good, in view of the many possible sources of experimental variation.

Response to "Comment on `Water-processed carbon nanotube/graphene hybrids with enhanced field emission properties'" [AIP Advances 8, 039101 (2018)

NASA Astrophysics Data System (ADS)

Song, Meng; Xu, Peng; Song, Yenan; Wang, Xu; Li, Zhenhua; Shang, Xuefu; Wu, Huizhen; Zhao, Pei; Wang, Miao

2018-03-01

In this response, we explain the points mentioned by R. Rani and R. Bhatia in their Comment for our previous paper [AIP Advances 5, 097130 (2015)], that the high value of β obtained in Song et al. [AIP Advances 5, 097130 (2015)] is misleading because it does not corroborate with the obtained Jmax, and the obtained value of Jmax is "low" in the mentioned study as compared to the reported values [J. Appl. Phys. 111, 044307 (2012) & Appl. Phys. Lett. 102, 033102 (2013)]. For the high value of β, the obtained current Jmax is corroborated but such high value is mainly due to the multistage effect when CNTs are deposited on the rough surface of reduced graphene. For the "low" Jmax, although this is true when compared with Sameera et al. [J. Appl. Phys. 111, 044307 (2012) and Appl. Phys. Lett. 102, 033102 (2013)], but we believe that our value is a generally common value when compared with other reports [Diam. Relat. Mater. 47, 1 (2014); J. Alloys Compd. 610, 659 (2014); J. Nanomater. 2013, 5239 (2013)] using the similar method as described in our paper. Therefore, the conclusions from the experimental results on field emission performance of CNT/graphene composite materials in our paper are reliable.

Determination of pKa values of new phenacyl-piperidine derivatives by potentiometric titration method in aqueous medium at room temperature (25±0.5oC).

PubMed

Zafar, Shaista; Akhtar, Shamim; Tariq, Talat; Mushtaq, Noushin; Akram, Arfa; Ahmed, Ahsaan; Arif, Muhammad; Naeem, Sabahat; Anwar, Sana

2014-07-01

Dissociation constant (pKa) of ten novel phenacyl derivatives of piperidine were determined by potentiometric titration method in aqueous medium at room temperature (25 ±0.5°C). The sample solutions were prepared in deionized water with ionic strength 0.01M and titrated with 0.1M NaOH solution. In addition, ΔG values were also calculated. Different prediction software programs were used to calculate pKa values too and compared to the experimentally observed pKa values. The experimental and theoretical values were found in close agreement. The results obtained in this research would help to predict the good absorption of the studied compounds and can be selected as lead molecules for the synthesis of CNS active agents because of their lipophilic nature especially compound VII.

Prediction of kinase-inhibitor binding affinity using energetic parameters

PubMed Central

Usha, Singaravelu; Selvaraj, Samuel

2016-01-01

The combination of physicochemical properties and energetic parameters derived from protein-ligand complexes play a vital role in determining the biological activity of a molecule. In the present work, protein-ligand interaction energy along with logP values was used to predict the experimental log (IC50) values of 25 different kinase-inhibitors using multiple regressions which gave a correlation coefficient of 0.93. The regression equation obtained was tested on 93 kinase-inhibitor complexes and an average deviation of 0.92 from the experimental log IC50 values was shown. The same set of descriptors was used to predict binding affinities for a test set of five individual kinase families, with correlation values > 0.9. We show that the protein-ligand interaction energies and partition coefficient values form the major deterministic factors for binding affinity of the ligand for its receptor. PMID:28149052

Sulphate partitioning into calcite: Experimental verification of pH control and application to seasonality in speleothems

NASA Astrophysics Data System (ADS)

Wynn, Peter M.; Fairchild, Ian J.; Borsato, Andrea; Spötl, Christoph; Hartland, Adam; Baker, Andy; Frisia, Silvia; Baldini, James U. L.

2018-04-01

Carbonate-associated sulphate (CAS) is a useful carrier of palaeoenvironmental information throughout the geologic record, particularly through its stable isotope composition. However, a paucity of experimental data restricts quantitative understanding of sulphate incorporation into carbonates, and consequently CAS concentrations and their diagenetic modifications are rarely interpreted. However, in the case of calcite speleothems, the remarkably high-resolution CAS records which are obtainable via modern microanalytical techniques represent a potentially invaluable source of palaeoenvironmental information. Here, we describe the results of controlled experiments of sulphate co-precipitation with calcite in freshwater solutions where pH, saturation state, and sulphate concentration were varied independently of each other. Solution pH is confirmed as the principal control on sulphate incorporation into calcite. The relative efficiency of incorporation was calculated as a partition coefficient DSO4 = (mSO4/mCO3)solid/(mSO4/mCO3)solution. High crystal growth rates (driven by either pH or saturation state) encouraged higher values of DSO4 because of an increasing concentration of defect sites on crystal surfaces. At low growth rates, DSO4 was reduced due to an inferred competition between sulphate and bicarbonate at the calcite surface. These experimental results are applied to understand the incorporation of sulphate into speleothem calcite. The experimentally determined pH-dependence suggests that strong seasonal variations in cave air PCO2 could account for annual cycles in sulphate concentration observed in stalagmites. Our new experimentally determined values of DSO4 were compared with DSO4 values calculated from speleothem-drip water monitoring from two caves within the Austrian and Italian Alps. At Obir cave, Austria, DSO4 (×105) varies between 11.1 (winter) and 9.0 (summer) and the corresponding figures for Ernesto cave, Italy, are 15.4 (winter) and 14.9 (summer). These values approximate predicted DSO4 values based on our chamber experiments containing both low (2 ppm) and high (20 ppm) sulphate concentrations. Our experimental values of DSO4 obtained at crystal growth rates typical of stalagmites, closely match those observed in other cave sites from around the world. This validates the universality of the controls behind DSO4 and will enhance the use of speleothem CAS as a palaeoenvironmental proxy.

An analytical method based on multipole moment expansion to calculate the flux distribution in Gammacell-220

NASA Astrophysics Data System (ADS)

Rezaeian, P.; Ataenia, V.; Shafiei, S.

2017-12-01

In this paper, the flux of photons inside the irradiation cell of the Gammacell-220 is calculated using an analytical method based on multipole moment expansion. The flux of the photons inside the irradiation cell is introduced as the function of monopole, dipoles and quadruples in the Cartesian coordinate system. For the source distribution of the Gammacell-220, the values of the multipole moments are specified by direct integrating. To confirm the validation of the presented methods, the flux distribution inside the irradiation cell was determined utilizing MCNP simulations as well as experimental measurements. To measure the flux inside the irradiation cell, Amber dosimeters were employed. The calculated values of the flux were in agreement with the values obtained by simulations and measurements, especially in the central zones of the irradiation cell. In order to show that the present method is a good approximation to determine the flux in the irradiation cell, the values of the multipole moments were obtained by fitting the simulation and experimental data using Levenberg-Marquardt algorithm. The present method leads to reasonable results for the all source distribution even without any symmetry which makes it a powerful tool for the source load planning.

Numerical Analysis of Heat Transfer During Quenching Process

NASA Astrophysics Data System (ADS)

Madireddi, Sowjanya; Krishnan, Krishnan Nambudiripad; Reddy, Ammana Satyanarayana

2018-04-01

A numerical model is developed to simulate the immersion quenching process of metals. The time of quench plays an important role if the process involves a defined step quenching schedule to obtain the desired characteristics. Lumped heat capacity analysis used for this purpose requires the value of heat transfer coefficient, whose evaluation requires large experimental data. Experimentation on a sample work piece may not represent the actual component which may vary in dimension. A Fluid-Structure interaction technique with a coupled interface between the solid (metal) and liquid (quenchant) is used for the simulations. Initial times of quenching shows boiling heat transfer phenomenon with high values of heat transfer coefficients (5000-2.5 × 105 W/m2K). Shape of the work piece with equal dimension shows less influence on the cooling rate Non-uniformity in hardness at the sharp corners can be reduced by rounding off the edges. For a square piece of 20 mm thickness, with 3 mm fillet radius, this difference is reduced by 73 %. The model can be used for any metal-quenchant combination to obtain time-temperature data without the necessity of experimentation.

The determination of accurate dipole polarizabilities alpha and gamma for the noble gases

NASA Technical Reports Server (NTRS)

Rice, Julia E.; Taylor, Peter R.; Lee, Timothy J.; Almlof, Jan

1991-01-01

Accurate static dipole polarizabilities alpha and gamma of the noble gases He through Xe were determined using wave functions of similar quality for each system. Good agreement with experimental data for the static polarizability gamma was obtained for Ne and Xe, but not for Ar and Kr. Calculations suggest that the experimental values for these latter ions are too low.

Stress concentration in a cylindrical shell containing a circular hole.

NASA Technical Reports Server (NTRS)

Adams, N. J. I.

1971-01-01

The state of stress in a cylindrical shell containing a circular cutout was determined for axial tension, torsion, and internal pressure loading. The solution was obtained for the shallow shell equations by a variational method. The results were expressed in terms of a nondimensional curvature parameter which was a function of shell radius, shell thickness, and hole radius. The function chosen for the solution was such that when the radius of the cylindrical shell approaches infinity, the flat-plate solution was obtained. The results are compared with solutions obtained by more rigorous analytical methods, and with some experimental results. For small values of the curvature parameter, the agreement is good. For higher values of the curvature parameter, the present solutions indicate a limiting value of stress concentration, which is in contrast to previous results.

Using X-ray absorption to probe sulfur oxidation states in complex molecules

NASA Astrophysics Data System (ADS)

Vairavamurthy, A.

1998-10-01

X-ray absorption near-edge structure (XANES) spectroscopy offers an important non-destructive tool for determining oxidation states and for characterizing chemical speciation. The technique was used to experimentally verify the oxidation states of sulfur in different types of complex molecules because there are irregularities and uncertainties in assigning the values traditionally. The usual practice of determining oxidation states involves using a set of conventional rules. The oxidation state is an important control in the chemical speciation of sulfur, ranging from -2 to +6 in its different compounds. Experimental oxidation-state values for various types of sulfur compounds, using their XANES peak-energy positions, were assigned from a scale in which elemental sulfur and sulfate are designated as 0 and +6, respectively. Because these XANES-based values differed considerably from conventionally determined oxidation states for most sulfur compounds, a new term 'oxidation index' was coined to describe them. The experimental values were closer to those conventional values obtained by assigning shared electrons to the more electronegative atoms than to those based on other customary rules for assigning them. Because the oxidation index is distinct and characteristic for each different type of sulfur functionality, it becomes an important parameter for characterizing sulfur species, and for experimentally verifying uncertain oxidation states.

[The determination of the discrepancy between the mathematically ascertained and experimentally provable efficiency of UV facilities for water disinfection].

PubMed

Leuker, G; Hingst, V

1992-10-01

Using three UV-plants of different technical designs for water disinfection, we studied the conformity between experimental germ reduction using standard test organisms and calculated UV-doses under various water flow conditions. Taking into consideration the style of construction of the UV-plants, the irradiation area and the layer thickness were used as constant parameters for dose calculations. This was also employed for the irradiation intensity, since the experiments were performed for a relatively short period compared of the life span of the UV-irradiators. Both exposure time and water transmission were employed as variable parameters in the dose calculations and experimental procedures respectively. The calculated UV-dose and experimentally obtained germ reduction values were comparatively the same for two of the three UV-plants studied. However, no correlation was observed between the reduction of E. coli and the corresponding calculated UV-dose values. Therefore, the calculated UV-dose values for any given UV-plant should be considered to be relative and by no means absolute values. We are of the opinion that within a certain range of water flow rate and transmission, antimicrobial effectiveness of different UV-plants should be demonstrated independent of dose values, technical and other construction characteristics. The applicability of the UV-plants studied is discussed.

Determination of Benzyl-hexadecyldimethylammonium 1,4-Bis(2-ethylhexyl)sulfosuccinate Vesicle Permeability by Using Square Wave Voltammetry and an Enzymatic Reaction.

PubMed

Cobo Solis, Airam K; Correa, N Mariano; Molina, Patricia G

2017-10-31

This report describes the studies performed to determine the permeability coefficient value (P) of 1-naphthyl phosphate (1-NP) through the benzyl-hexadecyldimethylammonium 1,4-bis(2-ethylhexyl)sulfosuccinate (AOT-BHD) vesicle bilayer. 1-NP was added in the external phase and must cross the bilayer of the vesicle to react with the encapsulated enzyme (alkaline phosphatase) to yield 1-naphtholate (NPh - ), the product of the enzymatic hydrolysis. This product is electrochemically detected, at basic pH value, by a square wave voltammetry technique, which can be a good alternative over the spectroscopic one, to measure the vesicle solutions because scattering (due to its turbidity) does not make any influence in the electrochemical signal. The experimental data allow us to propose a mathematical model, and a value of P = (1.00 ± 0.15) × 10 -9 cm s -1 was obtained. Also, a value of P = (2.0 ± 0.5) × 10 -9 cm s -1 was found by using an independent technique, ultraviolet-visible spectroscopy, for comparison. It is evident that the P values obtained from both the techniques are comparable (within the experimental error of both techniques) under the same experimental conditions. This study constitutes the first report of the 1-NP permeability determination in this new vesicle. We want to highlight the importance of the introduction of a new method and the electrochemical response of the product generated through an enzymatic reaction that occurs in the inner aqueous phase of the vesicle, where the enzyme is placed.

Handling Bias from Individual Differences in between-Subject Holistic Experimental Designs.

DTIC Science & Technology

1985-10-30

leptukurtic) or flat ( platykurtic ) in the neighborhood of the mode. For normal distributions, B1-0 and B2-3. When Bl deviates from 0, the data is skewed. For B2...were obtained. This data is symmetrical, though peaked. The platykurtic data was obtained by taking the cube root of the discrete values on the table of

Simulation of Laboratory Tests of Steel Arch Support

NASA Astrophysics Data System (ADS)

Horyl, Petr; Šňupárek, Richard; Maršálek, Pavel; Pacześniowski, Krzysztof

2017-03-01

The total load-bearing capacity of steel arch yielding roadways supports is among their most important characteristics. These values can be obtained in two ways: experimental measurements in a specialized laboratory or computer modelling by FEM. Experimental measurements are significantly more expensive and more time-consuming. However, for proper tuning, a computer model is very valuable and can provide the necessary verification by experiment. In the cooperating workplaces of GIG Katowice, VSB-Technical University of Ostrava and the Institute of Geonics ASCR this verification was successful. The present article discusses the conditions and results of this verification for static problems. The output is a tuned computer model, which may be used for other calculations to obtain the load-bearing capacity of other types of steel arch supports. Changes in other parameters such as the material properties of steel, size torques, friction coefficient values etc. can be determined relatively quickly by changing the properties of the investigated steel arch supports.

Optimization of Pressurized Liquid Extraction of Three Major Acetophenones from Cynanchum bungei Using a Box-Behnken Design

PubMed Central

Li, Wei; Zhao, Li-Chun; Sun, Yin-Shi; Lei, Feng-Jie; Wang, Zi; Gui, Xiong-Bin; Wang, Hui

2012-01-01

In this work, pressurized liquid extraction (PLE) of three acetophenones (4-hydroxyacetophenone, baishouwubenzophenone, and 2,4-dihydroxyacetophenone) from Cynanchum bungei (ACB) were investigated. The optimal conditions for extraction of ACB were obtained using a Box-Behnken design, consisting of 17 experimental points, as follows: Ethanol (100%) as the extraction solvent at a temperature of 120 °C and an extraction pressure of 1500 psi, using one extraction cycle with a static extraction time of 17 min. The extracted samples were analyzed by high-performance liquid chromatography using an UV detector. Under this optimal condition, the experimental values agreed with the predicted values by analysis of variance. The ACB extraction yield with optimal PLE was higher than that obtained by soxhlet extraction and heat-reflux extraction methods. The results suggest that the PLE method provides a good alternative for acetophenone extraction. PMID:23203079

Influence of gate width on gate-channel carrier mobility in AlGaN/GaN heterostructure field-effect transistors

NASA Astrophysics Data System (ADS)

Yang, Ming; Ji, Qizheng; Gao, Zhiliang; Zhang, Shufeng; Lin, Zhaojun; Yuan, Yafei; Song, Bo; Mei, Gaofeng; Lu, Ziwei; He, Jihao

2017-11-01

For the fabricated AlGaN/GaN heterostructure field-effect transistors (HFETs) with different gate widths, the gate-channel carrier mobility is experimentally obtained from the measured current-voltage and capacitance-voltage curves. Under each gate voltage, the mobility gets lower with gate width increasing. Analysis shows that the phenomenon results from the polarization Coulomb field (PCF) scattering, which originates from the irregularly distributed polarization charges at the AlGaN/GaN interface. The device with a larger gate width is with a larger PCF scattering potential and a stronger PCF scattering intensity. As a function of gate width, PCF scattering potential shows a same trend with the mobility variation. And the theoretically calculated mobility values fits well with the experimentally obtained values. Varying gate widths will be a new perspective for the improvement of device characteristics by modulating the gate-channel carrier mobility.

Oscillator strengths and branching fractions of 4d75p-4d75s Rh II transitions

NASA Astrophysics Data System (ADS)

Bouazza, Safa

2017-01-01

This work reports semi-empirical determination of oscillator strengths, transition probabilities and branching fractions for Rh II 4d75p-4d75s transitions in a wide wavelength range. The angular coefficients of the transition matrix, beforehand obtained in pure SL coupling with help of Racah algebra are transformed into intermediate coupling using eigenvector amplitudes of these two configuration levels determined for this purpose; The transition integral was treated as free parameter in the least squares fit to experimental oscillator strength (gf) values found in literature. The extracted value: <4d75s|r1|4d75p> =2.7426 ± 0.0007 is slightly smaller than that computed by means of ab-initio method. Subsequently to oscillator strength evaluations, transition probabilities and branching fractions were deduced and compared to those obtained experimentally or through another approach like pseudo-relativistic Hartree-Fock model including core-polarization effects.

Experimental determination of the x-ray atomic fundamental parameters of nickel

NASA Astrophysics Data System (ADS)

Ménesguen, Y.; Lépy, M.-C.; Hönicke, P.; Müller, M.; Unterumsberger, R.; Beckhoff, B.; Hoszowska, J.; Dousse, J.-Cl; Błachucki, W.; Ito, Y.; Yamashita, M.; Fukushima, S.

2018-02-01

The x-ray atomic properties of nickel (Ni) were investigated in a unique approach combining different experimental techniques to obtain new, useful and reliable values of atomic fundamental parameters for x-ray spectrometric purposes and for comparison with theoretical predictions. We determined the mass attenuation coefficients in an energy range covering the L- and K-absorption edges, the K-shell fluorescence yield and the Kβ/Kα and Kβ1, 3/Kα1, 2 transition probability ratios. The obtained line profiles and linewidths of the Kα and Kβ transitions in Ni can be considered as the contribution of the satellite lines arising from the [KM] shake processes suggested by Deutsch et al (1995 Phys. Rev. A 51 283) and Ito et al (2016 Phys. Rev. A 94 042506). Comparison of the new data with several databases showed good agreement, but also discrepancies were found with existing tabulated values.

Fine- and hyperfine structure investigations of the even-parity configuration system of the atomic holmium

NASA Astrophysics Data System (ADS)

Stefanska, D.; Ruczkowski, J.; Elantkowska, M.; Furmann, B.

2018-04-01

In this work new experimental results concerning the hyperfine structure (hfs) for the even-parity level system of the holmium atom (Ho I) were obtained; additionally, hfs data obtained recently as a by-product in investigations of the odd-parity level system were summarized. In the present work the values of the magnetic dipole and the electric quadrupole hfs constants A and B were determined for 24 even-parity levels, for 14 of them for the first time. On the basis of these results, as well as on available literature data, a parametric study of the fine structure and the hyperfine structure for the even-parity configurations of atomic holmium was performed. A multi-configuration fit of 7 configurations was carried out, taking into account second-order of the perturbation theory. For unknown electronic levels predicted values of the level energies and hfs constants are given, which can facilitate further experimental investigations.

Molecular simulations and experimental studies of solubility and diffusivity for pure and mixed gases of H2, CO2, and Ar absorbed in the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N]).

PubMed

Shi, Wei; Sorescu, Dan C; Luebke, David R; Keller, Murphy J; Wickramanayake, Shan

2010-05-20

Classical molecular dynamics and Monte Carlo simulations are used to calculate the self-diffusivity and solubility of pure and mixed CO(2), H(2), and Ar gases absorbed in the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([hmim][Tf(2)N]). Overall, the computed absorption isotherms, Henry's law constants, and partial molar enthalpies for pure H(2) agree well with the experimental data obtained by Maurer et al. [J. Chem. Eng. Data 2006, 51, 1364] and the experimental values determined in this work. However, the agreement is poor between the simulations and the experimental data by Noble et al. [Ind. Eng. Chem. Res. 2008, 47, 3453] and Costa Gomes [J. Chem. Eng. Data 2007, 52, 472] at high temperatures. The computed H(2) permeability values are in good agreement with the experimental data at 313 K obtained by Luebke et al. [J. Membr. Sci. 2007, 298, 41; ibid, 2008, 322, 28], but about three times larger than the experimental value at 573 K from the same group. Our computed H(2) solubilities using different H(2) potential models have similar values and solute polarizations were found to have a negligible effect on the predicted gas solubilities for both the H(2) and Ar. The interaction between H(2) and the ionic liquid is weak, about three times smaller than between the ionic liquid and Ar and six times smaller than that of CO(2) with the ionic liquid, results that are consistent with a decreasing solubility from CO(2) to Ar and to H(2). The molar volume of the ionic liquid was found to be the determining factor for the H(2) solubility. For mixed H(2) and Ar gases, the solubilities for both solutes decrease compared to the respective pure gas solubilities. For mixed gases of CO(2) and H(2), the solubility selectivity of CO(2) over H(2) decreases from about 30 at 313 K to about 3 at 573 K. For the permeability, the simulated values for CO(2) in [hmim][Tf(2)N] are about 20-60% different than the experimental data by Luebke et al. [J. Membr. Sci. 2008, 322, 28].

An Improved Shock Model for Bare and Covered Explosives

NASA Astrophysics Data System (ADS)

Scholtes, Gert; Bouma, Richard

2017-06-01

TNO developed a toolbox to estimate the probability of a violent event on a ship or other platform, when the munition bunker is hit by e.g. a bullet or fragment from a missile attack. To obtain the proper statistical output, several millions of calculations are needed to obtain a reliable estimate. Because millions of different scenarios have to be calculated, hydrocode calculations cannot be used for this type of application, but a fast and good engineering solutions is needed. At this moment the Haskins and Cook-model is used for this purpose. To obtain a better estimate for covered explosives and munitions, TNO has developed a new model which is a combination of the shock wave model at high pressure, as described by Haskins and Cook, in combination with the expanding shock wave model of Green. This combined model gives a better fit with the experimental values for explosives response calculations, using the same critical energy fluence values for covered as well as for bare explosives. In this paper the theory is explained and results of the calculations for several bare and covered explosives will be presented. To show this, the results will be compared with the experimental values from literature for composition B, Composition B-3 and PBX-9404.

Evaluation of the ²³⁹Pu prompt fission neutron spectrum induced by neutrons of 500 keV and associated covariances

DOE PAGES

Neudecker, D.; Talou, P.; Kawano, T.; ...

2015-08-01

We present evaluations of the prompt fission neutron spectrum (PFNS) of ²³⁹Pu induced by 500 keV neutrons, and associated covariances. In a previous evaluation by Talou et al. 2010, surprisingly low evaluated uncertainties were obtained, partly due to simplifying assumptions in the quantification of uncertainties from experiment and model. Therefore, special emphasis is placed here on a thorough uncertainty quantification of experimental data and of the Los Alamos model predicted values entering the evaluation. In addition, the Los Alamos model was extended and an evaluation technique was employed that takes into account the qualitative differences between normalized model predicted valuesmore » and experimental shape data. These improvements lead to changes in the evaluated PFNS and overall larger evaluated uncertainties than in the previous work. However, these evaluated uncertainties are still smaller than those obtained in a statistical analysis using experimental information only, due to strong model correlations. Hence, suggestions to estimate model defect uncertainties are presented, which lead to more reasonable evaluated uncertainties. The calculated k eff of selected criticality benchmarks obtained with these new evaluations agree with each other within their uncertainties despite the different approaches to estimate model defect uncertainties. The k eff one standard deviations overlap with some of those obtained using ENDF/B-VII.1, albeit their mean values are further away from unity. Spectral indexes for the Jezebel critical assembly calculated with the newly evaluated PFNS agree with the experimental data for selected (n,γ) and (n,f) reactions, and show improvements for high-energy threshold (n,2n) reactions compared to ENDF/B-VII.1.« less

Evaluation of the 239 Pu prompt fission neutron spectrum induced by neutrons of 500 keV and associated covariances

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neudecker, D.; Talou, P.; Kawano, T.

2015-08-01

We present evaluations of the prompt fission neutron spectrum (PFNS) of (PU)-P-239 induced by 500 keV neutrons, and associated covariances. In a previous evaluation by Talon et al. (2010), surprisingly low evaluated uncertainties were obtained, partly due to simplifying assumptions in the quantification of uncertainties from experiment and model. Therefore, special emphasis is placed here on a thorough uncertainty quantification of experimental data and of the Los Alamos model predicted values entering the evaluation. In addition, the Los Alamos model was extended and an evaluation technique was employed that takes into account the qualitative differences between normalized model predicted valuesmore » and experimental shape data These improvements lead to changes in the evaluated PENS and overall larger evaluated uncertainties than in the previous work. However, these evaluated uncertainties are still smaller than those obtained in a statistical analysis using experimental information only, due to strong model correlations. Hence, suggestions to estimate model defect uncertainties are presented. which lead to more reasonable evaluated uncertainties. The calculated k(eff) of selected criticality benchmarks obtained with these new evaluations agree with each other within their uncertainties despite the different approaches to estimate model defect uncertainties. The k(eff) one standard deviations overlap with some of those obtained using ENDF/B-VILl, albeit their mean values are further away from unity. Spectral indexes for the Jezebel critical assembly calculated with the newly evaluated PFNS agree with the experimental data for selected (n,) and (n,f) reactions, and show improvements for highenergy threshold (n,2n) reactions compared to ENDF/B-VII.l. (C) 2015 Elsevier B.V. All rights reserved.« less

Energy levels distribution in supersaturated silicon with titanium for photovoltaic applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pérez, E., E-mail: eduper@ele.uva.es; Castán, H.; García, H.

2015-01-12

In the attempt to form an intermediate band in the bandgap of silicon substrates to give it the capability to absorb infrared radiation, we studied the deep levels in supersaturated silicon with titanium. The technique used to characterize the energy levels was the thermal admittance spectroscopy. Our experimental results showed that in samples with titanium concentration just under Mott limit there was a relationship among the activation energy value and the capture cross section value. This relationship obeys to the well known Meyer-Neldel rule, which typically appears in processes involving multiple excitations, like carrier capture/emission in deep levels, and itmore » is generally observed in disordered systems. The obtained characteristic Meyer-Neldel parameters were Tmn = 176 K and kTmn = 15 meV. The energy value could be associated to the typical energy of the phonons in the substrate. The almost perfect adjust of all experimental data to the same straight line provides further evidence of the validity of the Meyer Neldel rule, and may contribute to obtain a deeper insight on the ultimate meaning of this phenomenon.« less

Do bacterial cell numbers follow a theoretical Poisson distribution? Comparison of experimentally obtained numbers of single cells with random number generation via computer simulation.

PubMed

Koyama, Kento; Hokunan, Hidekazu; Hasegawa, Mayumi; Kawamura, Shuso; Koseki, Shigenobu

2016-12-01

We investigated a bacterial sample preparation procedure for single-cell studies. In the present study, we examined whether single bacterial cells obtained via 10-fold dilution followed a theoretical Poisson distribution. Four serotypes of Salmonella enterica, three serotypes of enterohaemorrhagic Escherichia coli and one serotype of Listeria monocytogenes were used as sample bacteria. An inoculum of each serotype was prepared via a 10-fold dilution series to obtain bacterial cell counts with mean values of one or two. To determine whether the experimentally obtained bacterial cell counts follow a theoretical Poisson distribution, a likelihood ratio test between the experimentally obtained cell counts and Poisson distribution which parameter estimated by maximum likelihood estimation (MLE) was conducted. The bacterial cell counts of each serotype sufficiently followed a Poisson distribution. Furthermore, to examine the validity of the parameters of Poisson distribution from experimentally obtained bacterial cell counts, we compared these with the parameters of a Poisson distribution that were estimated using random number generation via computer simulation. The Poisson distribution parameters experimentally obtained from bacterial cell counts were within the range of the parameters estimated using a computer simulation. These results demonstrate that the bacterial cell counts of each serotype obtained via 10-fold dilution followed a Poisson distribution. The fact that the frequency of bacterial cell counts follows a Poisson distribution at low number would be applied to some single-cell studies with a few bacterial cells. In particular, the procedure presented in this study enables us to develop an inactivation model at the single-cell level that can estimate the variability of survival bacterial numbers during the bacterial death process. Copyright © 2016 Elsevier Ltd. All rights reserved.

An Examination of the Phase Transition Thermodynamics of (S)- and (RS)-Naproxen as a Basis for the Design of Enantioselective Crystallization Processes.

PubMed

Buchholz, Hannes; Emel'yanenko, Vladimir N; Lorenz, Heike; Verevkin, Sergey P

2016-05-01

A detailed experimental analysis of the phase transition thermodynamics of (S)-naproxen and (RS)-naproxen is reported. Vapor pressures were determined experimentally via the transpiration method. Sublimation enthalpies were obtained from the vapor pressures and from independent TGA measurements. Thermodynamics of fusion which have been well-studied in the literature were systematically remeasured by DSC. Both sublimation and fusion enthalpies were adjusted to one reference temperature, T = 298 K, using measured heat capacities of the solid and the melt phase by DSC. Average values from the measurements and from literature data were suggested for the sublimation and fusion enthalpies. In order to prove consistency of the proposed values the vaporization enthalpies obtained by combination of both were compared to vaporization enthalpies obtained by the group-additivity method and the correlation-gas chromatography method. The importance of reliable and precise phase transition data for thermochemical calculations such as the prediction of solid/liquid phase behaviour of chiral compounds is highlighted. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

FOCUSING OF HIGH POWER ULTRASOUND BEAMS AND LIMITING VALUES OF SHOCK WAVE PARAMETERS

PubMed Central

Bessonova, O.V.; Khokhlova, V.A.; Bailey, M.R.; Canney, M.S.; Crum, L.A.

2009-01-01

In this work, the influence of nonlinear and diffraction effects on amplification factors of focused ultrasound systems is investigated. The limiting values of acoustic field parameters obtained by focusing of high power ultrasound are studied. The Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation was used for the numerical modeling. Solutions for the nonlinear acoustic field were obtained at output levels corresponding to both pre- and post- shock formation conditions in the focal area of the beam in a weakly dissipative medium. Numerical solutions were compared with experimental data as well as with known analytic predictions. PMID:20161349

FOCUSING OF HIGH POWER ULTRASOUND BEAMS AND LIMITING VALUES OF SHOCK WAVE PARAMETERS.

PubMed

Bessonova, O V; Khokhlova, V A; Bailey, M R; Canney, M S; Crum, L A

2009-07-21

In this work, the influence of nonlinear and diffraction effects on amplification factors of focused ultrasound systems is investigated. The limiting values of acoustic field parameters obtained by focusing of high power ultrasound are studied. The Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation was used for the numerical modeling. Solutions for the nonlinear acoustic field were obtained at output levels corresponding to both pre- and post- shock formation conditions in the focal area of the beam in a weakly dissipative medium. Numerical solutions were compared with experimental data as well as with known analytic predictions.

Focusing of high power ultrasound beams and limiting values of shock wave parameters

NASA Astrophysics Data System (ADS)

Bessonova, O. V.; Khokhlova, V. A.; Bailey, M. R.; Canney, M. S.; Crum, L. A.

2009-10-01

In this work, the influence of nonlinear and diffraction effects on amplification factors of focused ultrasound systems is investigated. The limiting values of acoustic field parameters obtained by focusing of high power ultrasound are studied. The Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation was used for the numerical modeling. Solutions for the nonlinear acoustic field were obtained at output levels corresponding to both pre- and post-shock formation conditions in the focal area of the beam in a weakly dissipative medium. Numerical solutions were compared with experimental data as well as with known analytic predictions.

Measurement of the Angular Distribution of the Electron from $$W \\to e + \

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ramos, Manuel Martin

1996-10-01

The goal of this thesis is to scan the extensive literature dealing with the properties of the W and Z bosons. Iit is clear that, besides the measurements confirming the weak interactions theory, no specific work related to the angular distributions of the emerging particles from the leptonic decay of the boson has been done. The aim of the work is to obtain experimentally the values of α 2, as function of the transverse momentum of the W, that appear in the expression 0.3 and to compare the values obtained with the theoretical predictions.

An Illumination-Adaptive Colorimetric Measurement Using Color Image Sensor

NASA Astrophysics Data System (ADS)

Lee, Sung-Hak; Lee, Jong-Hyub; Sohng, Kyu-Ik

An image sensor for a use of colorimeter is characterized based on the CIE standard colorimetric observer. We use the method of least squares to derive a colorimetric characterization matrix between RGB output signals and CIE XYZ tristimulus values. This paper proposes an adaptive measuring method to obtain the chromaticity of colored scenes and illumination through a 3×3 camera transfer matrix under a certain illuminant. Camera RGB outputs, sensor status values, and photoelectric characteristic are used to obtain the chromaticity. Experimental results show that the proposed method is valid in the measuring performance.

Time-oriented experimental design method to optimize hydrophilic matrix formulations with gelation kinetics and drug release profiles.

PubMed

Shin, Sangmun; Choi, Du Hyung; Truong, Nguyen Khoa Viet; Kim, Nam Ah; Chu, Kyung Rok; Jeong, Seong Hoon

2011-04-04

A new experimental design methodology was developed by integrating the response surface methodology and the time series modeling. The major purposes were to identify significant factors in determining swelling and release rate from matrix tablets and their relative factor levels for optimizing the experimental responses. Properties of tablet swelling and drug release were assessed with ten factors and two default factors, a hydrophilic model drug (terazosin) and magnesium stearate, and compared with target values. The selected input control factors were arranged in a mixture simplex lattice design with 21 experimental runs. The obtained optimal settings for gelation were PEO, LH-11, Syloid, and Pharmacoat with weight ratios of 215.33 (88.50%), 5.68 (2.33%), 19.27 (7.92%), and 3.04 (1.25%), respectively. The optimal settings for drug release were PEO and citric acid with weight ratios of 191.99 (78.91%) and 51.32 (21.09%), respectively. Based on the results of matrix swelling and drug release, the optimal solutions, target values, and validation experiment results over time were similar and showed consistent patterns with very small biases. The experimental design methodology could be a very promising experimental design method to obtain maximum information with limited time and resources. It could also be very useful in formulation studies by providing a systematic and reliable screening method to characterize significant factors in the sustained release matrix tablet. Copyright © 2011 Elsevier B.V. All rights reserved.

Analysis of reaction cross-section production in neutron induced fission reactions on uranium isotope using computer code COMPLET.

PubMed

Asres, Yihunie Hibstie; Mathuthu, Manny; Birhane, Marelgn Derso

2018-04-22

This study provides current evidence about cross-section production processes in the theoretical and experimental results of neutron induced reaction of uranium isotope on projectile energy range of 1-100 MeV in order to improve the reliability of nuclear stimulation. In such fission reactions of 235 U within nuclear reactors, much amount of energy would be released as a product that able to satisfy the needs of energy to the world wide without polluting processes as compared to other sources. The main objective of this work is to transform a related knowledge in the neutron-induced fission reactions on 235 U through describing, analyzing and interpreting the theoretical results of the cross sections obtained from computer code COMPLET by comparing with the experimental data obtained from EXFOR. The cross section value of 235 U(n,2n) 234 U, 235 U(n,3n) 233 U, 235 U(n,γ) 236 U, 235 U(n,f) are obtained using computer code COMPLET and the corresponding experimental values were browsed by EXFOR, IAEA. The theoretical results are compared with the experimental data taken from EXFOR Data Bank. Computer code COMPLET has been used for the analysis with the same set of input parameters and the graphs were plotted by the help of spreadsheet & Origin-8 software. The quantification of uncertainties stemming from both experimental data and computer code calculation plays a significant role in the final evaluated results. The calculated results for total cross sections were compared with the experimental data taken from EXFOR in the literature, and good agreement was found between the experimental and theoretical data. This comparison of the calculated data was analyzed and interpreted with tabulation and graphical descriptions, and the results were briefly discussed within the text of this research work. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

Prediction of human dietary δ15N intake from standardised food records: validity and precision of single meal and 24-h diet data.

PubMed

Hülsemann, Frank; Koehler, Karsten; Wittsiepe, Jürgen; Wilhelm, Michael; Hilbig, Annett; Kersting, Mathilde; Braun, Hans; Flenker, Ulrich; Schänzer, Wilhelm

2017-08-01

Natural stable isotope ratios (δ 15 N) of humans can be used for nutritional analyses and dietary reconstruction of modern and historic individuals and populations. Information about an individual's metabolic state can be obtained by comparison of tissue and dietary δ 15 N. Different methods have been used to estimate dietary δ 15 N in the past; however, the validity of such predictions has not been compared to experimental values. For a total of 56 meals and 21 samples of 24-h diets, predicted and experimental δ 15 N values were compared. The δ 15 N values were predicted from self-recorded food intake and compared with experimental δ 15 N values. Predicted and experimental δ 15 N values were in good agreement for meals and preparations (r = 0.89, p < .001) as well as for the 24-h diets (r = 0.76, p < .001). Dietary δ 15 N was mainly determined by the amount of fish, whereas the contribution of meat to dietary δ 15 N values was less pronounced. Prediction of human dietary δ 15 N values using standardised food records and representative δ 15 N data sets yields reliable data for dietary δ 15 N intake. A differentiated analysis of the primary protein sources is necessary when relating the proportion of animal-derived protein in the diet by δ 15 N analysis.

Determination of the partition coefficient between dissolved organic carbon and seawater using differential equilibrium kinetics.

PubMed

Kim, Du Yung; Kwon, Jung-Hwan

2018-05-04

Because the freely dissolved fraction of highly hydrophobic organic chemicals is bioavailable, knowing the partition coefficient between dissolved organic carbon and water (K DOCw ) is crucial to estimate the freely dissolved fraction from the total concentration. A kinetic method was developed to obtain K DOCw that required a shorter experimental time than equilibrium methods. The equilibrium partition coefficients of four polychlorinated biphenyls (PCBs) (2,4,4'-trichlorobiphenyl (PCB 28), 2,2',3,5'-tetrachlorobiphenyl (PCB 44), 2,2',4,5,5'-pentachlorobiphenyl (PCB 101), and 2,2',4,4',5,5'-hexachlorobiphenyl (PCB 153)) between dissolved organic carbon and seawater (K DOCsw ) were determined using seawater samples from the Korean coast. The log K DOCsw values of PCB 28 were measured by equilibrating PCB 28, the least hydrophobic congener, with seawater samples, and the values ranged from 6.60 to 7.20. For the more hydrophobic PCBs (PCB 44, PCB 101, and PCB 153), kinetic experiments were conducted to determine the sorption rate constants (k 2 ) and their log K DOCsw values were obtained by comparing their k 2 with that of PCB 28. The calculated log K DOCsw values were 6.57-7.35 for PCB 44, 6.23-7.44 for PCB 101, and 6.35-7.73 for PCB 153. The validity of the proposed method was further confirmed using three less hydrophobic polycyclic aromatic hydrocarbons. This kinetic method shortened the experimental time to obtain the K DOCsw values of the more hydrophobic PCBs, which did not reach phase equilibrium. Copyright © 2018 Elsevier Ltd. All rights reserved.

Enthalpy measurement of coal-derived liquids. Combined quarterly technical progress reports, April-June 1979 and July-September 1979. [Effect of association

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kidnay, A.J.; Yesavage, V.F.

1979-01-01

Enthalpy measurements on a coal-derived naphtha and middle distillate, both produced by the SRC-II process, were made using flow calorimetry. The accuracy of the measurements, as reported by Omid, was within +- 1% of the measured enthalpy differences, ..delta..H. Experimental data for the naphtha were obtained over a pressure range of 100-300 psia and temperatures from 148/sup 0/ to 456/sup 0/F. The middle distillate enthalpy measurements were made in the pressure and temperature ranges of 130 to 1000 psia, and 157/sup 0/ to 675/sup 0/F, respectively. The methods of prediction of enthalpy developed for petroleum fractions were unsatisfactory when appliedmore » to the above data. A negative bias was observed in the predicted enthalpy values for several of the coal-liquids. Based on these results, it was theorized that the high experimental enthalpy values for coal-liquids were due to an energy of association attributed, primarily, to hydrogen-bonding effects. The petroleum-fraction enthalpy correlations were then tested on the experimental data for pure compounds, both associating and non-associating. The predicted values compared very well with the experimental results for non-associating model compounds. However, for associating model compounds the predicted enthalpy values were considerably lower than their experimental data. This served to confirm the basic premise that the high experimental enthalpy values, for model compounds and coal liquids, were a direct consequence of an energy of association attributed, primarily, to hydrogen-bonding effects.« less

Simple model for piezoelectric ceramic/polymer 1-3 composites used in ultrasonic transducer applications.

PubMed

Chan, H W; Unsworth, J

1989-01-01

A theoretical model is presented for combining parameters of 1-3 ultrasonic composite materials in order to predict ultrasonic characteristics such as velocity, acoustic impedance, electromechanical coupling factor, and piezoelectric coefficients. Hence, the model allows the estimation of resonance frequencies of 1-3 composite transducers. This model has been extended to cover more material parameters, and they are compared to experimental results up to PZT volume fraction nu of 0.8. The model covers calculation of piezoelectric charge constants d(33) and d(31). Values are found to be in good agreement with experimental results obtained for PZT 7A/Araldite D 1-3 composites. The acoustic velocity, acoustic impedance, and electromechanical coupling factor are predicted and found to be close to the values determined experimentally.

Gain measurements in stimulated rotational Raman scattering in para hydrogen

NASA Astrophysics Data System (ADS)

Corat, E. J.; Airoldi, V. J. T.; Scolari, S. L.; Ghizoni, C. C.

1986-06-01

The dependence on CO2-laser pump energy of the output Stokes radiation obtained through stimulated rotational Raman scattering in parahydrogen is studied experimentally. The effective plane-wave gain for this process was determined as a function of the scattered wavelength by using a theoretical expression for the scattered pulse energy. Experimental values for the gain follow an inverse-wavelength law and are in close agreement with theory.

Experimental measurement of flexion-extension movement in normal and corpse prosthetic elbow joint.

PubMed

TarniŢă, Daniela; TarniŢă, DănuŢ Nicolae

2016-01-01

This paper presents a comparative experimental study of flexion-extension movement in healthy elbow and in the prosthetic elbow joint fixed on an original experimental bench. Measurements were carried out in order to validate the functional morphology and a new elbow prosthesis type ball head. The three-dimensional (3D) model and the physical prototype of our experimental bench used to test elbow endoprosthesis at flexion-extension and pronation-supination movements is presented. The measurements were carried out on a group of nine healthy subjects and on the prosthetic corpse elbow, the experimental data being obtained for flexion-extension movement cycles. Experimental data for the two different flexion-extension tests for the nine subjects and for the corpse prosthetic elbow were acquired using SimiMotion video system. Experimental data were processed statistically. The corresponding graphs were obtained for all subjects in the experimental group, and for corpse prosthetic elbow for both flexion-extension tests. The statistical analysis has proved that the flexion angles of healthy elbows were significantly close to the values measured at the prosthetic elbow fixed on the experimental bench. The studied elbow prosthesis manages to re-establish the mobility for the elbow joint as close to the normal one.

Precise ro-vibrational analysis of molecular bands forbidden in absorption: The ν8 +ν10 band of the 12C2H4 molecule

NASA Astrophysics Data System (ADS)

Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Kashirina, N. V.; Bauerecker, S.; Horneman, V.-M.

2015-07-01

The highly accurate (experimental accuracy in line positions ∼ (1 - 2) ×10-4 cm-1) ro-vibrational spectrum of the ν8 +ν10 band of the 12C2H4 molecule was recorded for the first time with high resolution Fourier transform spectrometry and analyzed in the region of 1650-1950 cm-1 using the Hamiltonian model which takes into account Coriolis resonance interactions between the studied ν8 +ν10 band, which is forbidden in absorption, and the bands ν4 +ν8 and ν7 +ν8 . About 1570 transitions belonging to the ν8 +ν10 band were assigned in the experimental spectra with the maximum values of quantum numbers Jmax. = 35 and Kamax . = 18 . On that basis, a set of 38 vibrational, rotational, centrifugal distortion, and resonance interaction parameters was obtained from the fit. They reproduce values of 598 initial "experimental" ro-vibrational energy levels (positions of about 1570 experimentally recorded and assigned transitions) with the rms error drms = 0.00045 cm-1 (drms = 0.00028 cm-1 when upper ro-vibrational energies obtained from blended and very weak transitions were deleted from the fit).

Molecular dynamics studies of polyethylene oxide and polyethylene glycol: hydrodynamic radius and shape anisotropy.

PubMed

Lee, Hwankyu; Venable, Richard M; Mackerell, Alexander D; Pastor, Richard W

2008-08-01

A revision (C35r) to the CHARMM ether force field is shown to reproduce experimentally observed conformational populations of dimethoxyethane. Molecular dynamics simulations of 9, 18, 27, and 36-mers of polyethylene oxide (PEO) and 27-mers of polyethylene glycol (PEG) in water based on C35r yield a persistence length lambda = 3.7 A, in quantitative agreement with experimentally obtained values of 3.7 A for PEO and 3.8 A for PEG; agreement with experimental values for hydrodynamic radii of comparably sized PEG is also excellent. The exponent upsilon relating the radius of gyration and molecular weight (R(g) proportional, variantM(w)(upsilon)) of PEO from the simulations equals 0.515 +/- 0.023, consistent with experimental observations that low molecular weight PEG behaves as an ideal chain. The shape anisotropy of hydrated PEO is 2.59:1.44:1.00. The dimension of the middle length for each of the polymers nearly equals the hydrodynamic radius R(h)obtained from diffusion measurements in solution. This explains the correspondence of R(h) and R(p), the pore radius of membrane channels: a polymer such as PEG diffuses with its long axis parallel to the membrane channel, and passes through the channel without substantial distortion.

Three-dimensional inviscid analysis of radial-turbine flow and a limited comparison with experimental data

NASA Technical Reports Server (NTRS)

Choo, Y. K.; Civinskas, K. C.

1985-01-01

The three-dimensional inviscid DENTON code is used to analyze flow through a radial-inflow turbine rotor. Experimental data from the rotor are compared with analytical results obtained by using the code. The experimental data available for comparison are the radial distributions of circumferentially averaged values of absolute flow angle and total pressure downstream of the rotor exit. The computed rotor-exit flow angles are generally underturned relative to the experimental values, which reflect the boundary-layer separation at the trailing edge and the development of wakes downstream of the rotor. The experimental rotor is designed for a higher-than-optimum work factor of 1.126 resulting in a nonoptimum positive incidence and causing a region of rapid flow adjustment and large velocity gradients. For this experimental rotor, the computed radial distribution of rotor-exit to turbine-inlet total pressure ratios are underpredicted due to the errors in the finite-difference approximations in the regions of rapid flow adjustment, and due to using the relatively coarser grids in the middle of the blade region where the flow passage is highly three-dimensional. Additional results obtained from the three-dimensional inviscid computation are also presented, but without comparison due to the lack of experimental data. These include quasi-secondary velocity vectors on cross-channel surfaces, velocity components on the meridional and blade-to-blade surfaces, and blade surface loading diagrams. Computed results show the evolution of a passage vortex and large streamline deviations from the computational streamwise grid lines. Experience gained from applying the code to a radial turbine geometry is also discussed.

Three-dimensional inviscid analysis of radial turbine flow and a limited comparison with experimental data

NASA Technical Reports Server (NTRS)

Choo, Y. K.; Civinskas, K. C.

1985-01-01

The three-dimensional inviscid DENTON code is used to analyze flow through a radial-inflow turbine rotor. Experimental data from the rotor are compared with analytical results obtained by using the code. The experimental data available for comparison are the radial distributions of circumferentially averaged values of absolute flow angle and total pressure downstream of the rotor exit. The computed rotor-exit flow angles are generally underturned relative to the experimental values, which reflect the boundary-layer separation at the trailing edge and the development of wakes downstream of the rotor. The experimental rotor is designed for a higher-than-optimum work factor of 1.126 resulting in a nonoptimum positive incidence and causing a region of rapid flow adjustment and large velocity gradients. For this experimental rotor, the computed radial distribution of rotor-exit to turbine-inlet total pressure ratios are underpredicted due to the errors in the finite-difference approximations in the regions of rapid flow adjustment, and due to using the relatively coarser grids in the middle of the blade region where the flow passage is highly three-dimensional. Additional results obtained from the three-dimensional inviscid computation are also presented, but without comparison due to the lack of experimental data. These include quasi-secondary velocity vectors on cross-channel surfaces, velocity components on the meridional and blade-to-blade surfaces, and blade surface loading diagrams. Computed results show the evolution of a passage vortex and large streamline deviations from the computational streamwise grid lines. Experience gained from applying the code to a radial turbine geometry is also discussed.

Heat transfer and pressure drop in rectangular channels with crossing fins (a Review)

NASA Astrophysics Data System (ADS)

Sokolov, N. P.; Polishchuk, V. G.; Andreev, K. D.; Rassokhin, V. A.; Zabelin, N. A.

2015-06-01

Channels with crossing finning find wide use in the cooling paths of high-temperature gas turbine blade systems. At different times, different institutions carried out experimental investigations of heat transfer and pressure drop in channels with coplanar finning of opposite walls for obtaining semiempirical dependences of Nusselt criteria (dimensionless heat-transfer coefficients) and pressure drop coefficients on the operating Reynolds number and relative geometrical parameters (or their complexes). The shape of experimental channels, the conditions of experiments, and the used variables were selected so that they would be most suited for solving particular practical tasks. Therefore, the results obtained in processing the experimental data have large scatter and limited use. This article considers the results from experimental investigations of different authors. In comparing the results, additional calculations were carried out for bringing the mathematical correlations to the form of dependences from the same variables. Generalization of the results is carried out. In the final analysis, universal correlations are obtained for determining the pressure drop coefficients and Nusselt number values for the flow of working medium in channels with coplanar finning.

Evaluation of mesoporous silicon thermal conductivity by electrothermal finite element simulation

PubMed Central

2012-01-01

The aim of this work is to determine the thermal conductivity of mesoporous silicon (PoSi) by fitting the experimental results with simulated ones. The electrothermal response (resistance versus applied current) of differently designed test lines integrated onto PoSi/silicon substrates and the bulk were compared to the simulations. The PoSi thermal conductivity was the single parameter used to fit the experimental results. The obtained thermal conductivity values were compared with those determined from Raman scattering measurements, and a good agreement between both methods was found. This methodology can be used to easily determine the thermal conductivity value for various porous silicon morphologies. PMID:22849851

Thermoelectric properties of n-type SrTiO 3

DOE PAGES

Sun, Jifeng; Singh, David J.

2016-05-26

We present an investigation of the thermoelectric properties of cubic perovskite SrTiO 3. The results are derived from a combination of calculated transport functions obtained from Boltzmann transport theory in the constant scattering time approximation based on the electronic structure and existing experimental data for La-doped SrTiO 3. The figure of merit ZT is modeled with respect to carrier concentration and temperature. The model predicts a relatively high ZT at optimized doping and suggests that the ZT value can reach 0.7 at T = 1400 K. Thus ZT can be improved from the current experimental values by carrier concentration optimization.

Comment on linewidths and shifts in the Stokes-Raman Q branch of D2 in He

NASA Technical Reports Server (NTRS)

Green, Sheldon; Blackmore, Robert; Monchick, Louis

1989-01-01

Collision-induced widths and shifts for Raman Q-branch transitions of D2 in He were calculated from S matrices obtained with converged close coupling scattering calculations on an accurate theoretical interaction potential. Results agree well with experimental values. Discrepancies between experimental line shifts and theoretical values from an earlier study (Blackmore et al., 1988) are traced to a computational error in that work. The effects of vibrational inelasticity and of centrifugal distortion on energy levels and on potential matrix elements, all of which were ignored in the earlier study, are explicitly considered here and found to be small.

Investigation of the trajectories and length of combustible gas jet flames in a sweeping air stream

NASA Astrophysics Data System (ADS)

Polezhaev, Yu. V.; Mostinskii, I. L.; Lamden, D. I.; Stonik, O. G.

2011-05-01

The trajectories of round gas jets and jet flames introduced into a sweeping air stream are studied. The influence of various initial conditions and of the physical properties of gases on the trajectory is considered. Experimental verification of the available approximation relations for the trajectories of flames in a wide range of the values of the blowing ratio has been carried out. It is shown that the newly obtained experimental approximation of the trajectory shape differs from the existing ones by about 20%. At small values of the blowing ratio (smaller than ~4.5) the flame trajectories cease to depend on it.

The effective molarity (EM)--a computational approach.

PubMed

Karaman, Rafik

2010-08-01

The effective molarity (EM) for 12 intramolecular S(N)2 processes involving the formation of substituted aziridines and substituted epoxides were computed using ab initio and DFT calculation methods. Strong correlation was found between the calculated effective molarity and the experimentally determined values. This result could open a door for obtaining EM values for intramolecular processes that are difficult to be experimentally provided. Furthermore, the calculation results reveal that the driving forces for ring-closing reactions in the two different systems are proximity orientation of the nucleophile to the electrophile and the ground strain energies of the products and the reactants. Copyright 2010 Elsevier Inc. All rights reserved.

Calculation of the acid-base equilibrium constants at the alumina/electrolyte interface from the ph dependence of the adsorption of singly charged ions (Na+, Cl-)

NASA Astrophysics Data System (ADS)

Gololobova, E. G.; Gorichev, I. G.; Lainer, Yu. A.; Skvortsova, I. V.

2011-05-01

A procedure was proposed for the calculation of the acid-base equilibrium constants at an alumina/electrolyte interface from experimental data on the adsorption of singly charged ions (Na+, Cl-) at various pH values. The calculated constants (p K {1/0}= 4.1, p K {2/0}= 11.9, p K {3/0}= 8.3, and p K {4/0}= 7.7) are shown to agree with the values obtained from an experimental pH dependence of the electrokinetic potential and the results of potentiometric titration of Al2O3 suspensions.

Angular distributions and polarization fractions of helium resonance radiation (n 1P - 1 1S) in the extreme ultraviolet

NASA Technical Reports Server (NTRS)

Mumma, M. J.; Misakian, M.; Jackson, W. M.; Faris, J. L.

1973-01-01

Angular intensity distributions of helium (n 1P - 1 1S) resonance photons with respect to the exciting electron beam are presented. The angular intensity distributions were measured at selected electron impact energies from 25 eV (near threshold) to 150 eV. Polarization fractions (Pi) were obtained by analyzing the data in terms of the theoretical relation between angular intensity distribution and Pi, i.e. Iota (theta) = Iota (90) (1 - Pi sq cos theta). The experimental values for Pi are compared with recent theoretical results and with previous experimental values for the (3 1P - 2 1S) transition.

Thermoelectric properties of n-type SrTiO3

NASA Astrophysics Data System (ADS)

Sun, Jifeng; Singh, David J.

2016-10-01

We present an investigation of the thermoelectric properties of cubic perovskite SrTiO3. The results are derived from a combination of calculated transport functions obtained from Boltzmann transport theory in the constant scattering time approximation based on the electronic structure and existing experimental data for La-doped SrTiO3. The figure of merit ZT is modeled with respect to carrier concentration and temperature. The model predicts a relatively high ZT at optimized doping and suggests that the ZT value can reach 0.7 at T = 1400 K. Thus ZT can be improved from the current experimental values by carrier concentration optimization.

A technique for plasma velocity-space cross-correlation

NASA Astrophysics Data System (ADS)

Mattingly, Sean; Skiff, Fred

2018-05-01

An advance in experimental plasma diagnostics is presented and used to make the first measurement of a plasma velocity-space cross-correlation matrix. The velocity space correlation function can detect collective fluctuations of plasmas through a localized measurement. An empirical decomposition, singular value decomposition, is applied to this Hermitian matrix in order to obtain the plasma fluctuation eigenmode structure on the ion distribution function. A basic theory is introduced and compared to the modes obtained by the experiment. A full characterization of these modes is left for future work, but an outline of this endeavor is provided. Finally, the requirements for this experimental technique in other plasma regimes are discussed.

High-Area-Ratio Rocket Nozzle at High Combustion Chamber Pressure: Experimental and Analytical Validation

NASA Technical Reports Server (NTRS)

Jankovsky, Robert S.; Smith, Timothy D.; Pavli, Albert J.

1999-01-01

Experimental data were obtained on an optimally contoured nozzle with an area ratio of 1025:1 and on a truncated version of this nozzle with an area ratio of 440:1. The nozzles were tested with gaseous hydrogen and liquid oxygen propellants at combustion chamber pressures of 1800 to 2400 psia and mixture ratios of 3.89 to 6.15. This report compares the experimental performance, heat transfer, and boundary layer total pressure measurements with theoretical predictions of the current Joint Army, Navy, NASA, Air Force (JANNAF) developed methodology. This methodology makes use of the Two-Dimensional Kinetics (TDK) nozzle performance code. Comparisons of the TDK-predicted performance to experimentally attained thrust performance indicated that both the vacuum thrust coefficient and the vacuum specific impulse values were approximately 2.0-percent higher than the turbulent prediction for the 1025:1 configurations, and approximately 0.25-percent higher than the turbulent prediction for the 440:1 configuration. Nozzle wall temperatures were measured on the outside of a thin-walled heat sink nozzle during the test fittings. Nozzle heat fluxes were calculated front the time histories of these temperatures and compared with predictions made with the TDK code. The heat flux values were overpredicted for all cases. The results range from nearly 100 percent at an area ratio of 50 to only approximately 3 percent at an area ratio of 975. Values of the integral of the heat flux as a function of nozzle surface area were also calculated. Comparisons of the experiment with analyses of the heat flux and the heat rate per axial length also show that the experimental values were lower than the predicted value. Three boundary layer rakes mounted on the nozzle exit were used for boundary layer measurements. This arrangement allowed total pressure measurements to be obtained at 14 different distances from the nozzle wall. A comparison of boundary layer total pressure profiles and analytical predictions show good agreement for the first 0.5 in. from the nozzle wall; but the further into the core flow that measurements were taken, the more that TDK overpredicted the boundary layer thickness.

Current measurement by Faraday effect on GEPOPU

NASA Astrophysics Data System (ADS)

N, Correa; H, Chuaqui; E, Wyndham; F, Veloso; J, Valenzuela; M, Favre; H, Bhuyan

2014-05-01

The design and calibration of an optical current sensor using BK7 glass is presented. The current sensor is based on the polarization rotation by Faraday effect. GEPOPU is a pulsed power generator, double transit time 120ns, 1.5 Ohm impedance, coaxial geometry, where Z pinch experiment are performed. The measurements were performed at the Optics and Plasma Physics Laboratory of Pontificia Universidad Catolica de Chile. The verdet constant for two different optical materials was obtained using He-Ne laser. The values obtained are within the experimental error bars of measurements published in the literature (less than 15% difference). Two different sensor geometries were tried. We present the preliminary results for one of the geometries. The values obtained for the current agree within the measurement error with those obtained by means of a Spice simulation of the generator. Signal traces obtained are completely noise free.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stratz, S. Adam; Jones, Steven J.; Mullen, Austin D.

Newly-established adsorption enthalpy and entropy values of 12 lanthanide hexafluoroacetylacetonates, denoted Ln[hfac] 4, along with the experimental and theoretical methodology used to obtain these values, are presented for the first time. The results of this work can be used in conjunction with theoretical modeling techniques to optimize a large-scale gas-phase separation experiment using isothermal chromatography. The results to date indicate average adsorption enthalpy and entropy values of the 12 Ln[hfac] 4 complexes ranging from -33 to -139 kJ/mol K and -299 to -557 J/mol, respectively.

Probability of stress-corrosion fracture under random loading

NASA Technical Reports Server (NTRS)

Yang, J. N.

1974-01-01

Mathematical formulation is based on cumulative-damage hypothesis and experimentally-determined stress-corrosion characteristics. Under both stationary random loadings, mean value and variance of cumulative damage are obtained. Probability of stress-corrosion fracture is then evaluated, using principle of maximum entropy.

Ultrasound-enhanced bioscouring of greige cotton: regression analysis of process factors

USDA-ARS?s Scientific Manuscript database

Ultrasound-enhanced bioscouring process factors for greige cotton fabric are examined using custom experimental design utilizing statistical principles. An equation is presented which predicts bioscouring performance based upon percent reflectance values obtained from UV-Vis measurements of rutheniu...

A theoretical study of diurnal shift in reflection height of VLF waves using IRI electron density model

NASA Astrophysics Data System (ADS)

Madhavi Latha, T.; Peddi Naidu, P.; Madhusudhana Rao, D. N.; Indira Devi, M.

2012-11-01

Electron density profiles for the International Reference Ionosphere (IRI) 2001 and 2007 models have been utilized in evaluating the D-region conductivity parameter in earth ionosphere wave guide calculations. The day to night shift in reflection height of very low frequency (VLF) waves has been calculated using D-region conductivities derived from IRI models and the results are compared with those obtained from phase variation measurements of VLF transmissions from Rugby (England) made at Visakhapatnam (India). The values derived from the models are found to be much lower than those obtained from the experimental measurements. The values derived from the IRI models are in good agreement with those obtained from exponential conductivity model.

Experimental investigations of heat transfer and temperature fields in models simulating fuel assemblies used in the core of a nuclear reactor with a liquid heavy-metal coolant

NASA Astrophysics Data System (ADS)

Belyaev, I. A.; Genin, L. G.; Krylov, S. G.; Novikov, A. O.; Razuvanov, N. G.; Sviridov, V. G.

2015-09-01

The aim of this experimental investigation is to obtain information on the temperature fields and heat transfer coefficients during flow of liquid-metal coolant in models simulating an elementary cell in the core of a liquid heavy metal cooled fast-neutron reactor. Two design versions for spacing fuel rods in the reactor core were considered. In the first version, the fuel rods were spaced apart from one another using helical wire wound on the fuel rod external surface, and in the second version spacer grids were used for the same purpose. The experiments were carried out on the mercury loop available at the Moscow Power Engineering Institute National Research University's Chair of Engineering Thermal Physics. Two experimental sections simulating an elementary cell for each of the fuel rod spacing versions were fabricated. The temperature fields were investigated using a dedicated hinged probe that allows temperature to be measured at any point of the studied channel cross section. The heat-transfer coefficients were determined using the wall temperature values obtained at the moment when the probe thermocouple tail end touched the channel wall. Such method of determining the wall temperature makes it possible to alleviate errors that are unavoidable in case of measuring the wall temperature using thermocouples placed in slots milled in the wall. In carrying out the experiments, an automated system of scientific research was applied, which allows a large body of data to be obtained within a short period of time. The experimental investigations in the first test section were carried out at Re = 8700, and in the second one, at five values of Reynolds number. Information about temperature fields was obtained by statistically processing the array of sampled probe thermocouple indications at 300 points in the experimental channel cross section. Reach material has been obtained for verifying the codes used for calculating velocity and temperature fields in channels with an intricately shaped cross section simulating the flow pass sections for liquid-metal coolants cooling the core of nuclear reactors.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dees, D. W.; Kawauchi, S.; Abraham, D. P.

Galvanostatic Intermittent Titration Technique (GITT) experiments were conducted to determine the lithium diffusion coefficient of LiNi{sub 0.8}Co{sub 0.15}Al{sub 0.05}O{sub 2}, used as the active material in a lithium-ion battery porous composite positive electrode. An electrochemical model, based on concentrated solution porous electrode theory, was developed to analyze the GITT experimental results and compare to the original GITT analytical theory. The GITT experimental studies on the oxide active material were conducted between 3.5 and 4.5 V vs. lithium, with the maximum lithium diffusion coefficient value being 10{sup -10} cm{sup 2} s{sup -1} at 3.85 V. The lithium diffusion coefficient values obtainedmore » from this study agree favorably with the values obtained from an earlier electrochemical impedance spectroscopy study.« less

An AK-LDMeans algorithm based on image clustering

NASA Astrophysics Data System (ADS)

Chen, Huimin; Li, Xingwei; Zhang, Yongbin; Chen, Nan

2018-03-01

Clustering is an effective analytical technique for handling unmarked data for value mining. Its ultimate goal is to mark unclassified data quickly and correctly. We use the roadmap for the current image processing as the experimental background. In this paper, we propose an AK-LDMeans algorithm to automatically lock the K value by designing the Kcost fold line, and then use the long-distance high-density method to select the clustering centers to further replace the traditional initial clustering center selection method, which further improves the efficiency and accuracy of the traditional K-Means Algorithm. And the experimental results are compared with the current clustering algorithm and the results are obtained. The algorithm can provide effective reference value in the fields of image processing, machine vision and data mining.

Nuclear half-lives for {alpha}-radioactivity of elements with 100 {<=} Z {<=} 130

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chowdhury, P. Roy; Samanta, C.; Physics Department, Gottwald Science Center, University of Richmond, Richmond, VA 23173

2008-11-15

Theoretical estimates for the half-lives of about 1700 isotopes of heavy elements with 100 {<=} Z {<=} 130 are tabulated using theoretical Q-values. The quantum mechanical tunneling probabilities are calculated within a WKB framework using microscopic nuclear potentials. The microscopic nucleus-nucleus potentials are obtained by folding the densities of interacting nuclei with a density-dependent M3Y effective nucleon-nucleon interaction. The {alpha}-decay half-lives calculated in this formalism using the experimental Q-values were found to be in good agreement over a wide range of experimental data spanning about 20 orders of magnitude. The theoretical Q-values used for the present calculations are extracted frommore » three different mass estimates viz. Myers-Swiatecki, Muntian-Hofmann-Patyk-Sobiczewski, and Koura-Tachibana-Uno-Yamada.« less

SICONID: a FORTRAN-77 program for conditional simulation in one dimension

NASA Astrophysics Data System (ADS)

Pardo-Igúzquiza, E.; Chica-Olmo, M.; Delgado-García, J.

1992-07-01

The SICONID program, written in FORTRAN 77 for the conditional simulation of geological variables in one dimension, is presented. The program permits all the necessary steps to obtain a simulated series of the experimental data to be carried out. These states are: acquisition of the experimental values, modelization of the anamorphosis function, variogram of the normal scores, conditional simulation, and restoration of the experimental histogram. A practical case of simulation of the evolution of the groundwater level in a survey to show the operation of the program is given.

Determination of the refractive index and thickness of holographic silver halide materials by use of polarized reflectances.

PubMed

Beléndez, Augusto; Beléndez, Tarsicio; Neipp, Cristian; Pascual, Inmaculada

2002-11-10

A method to determine the refractive index and thickness of silver halide emulsions used in holography is presented. The emulsions are in the form of a layer of film deposited on a thick glass plate. The experimental reflectances of p-polarized light are measured as a function of the incident angles, and the values of refractive index, thickness, and extinction coefficient of the emulsion are obtained by using the theoretical equation for reflectance. As examples, five commercial holographic silver halide emulsions are analyzed. The procedure to obtain the measurements and the numerical analysis of the experimental data are simple, and agreement of the calculated reflectances, by use of the thickness and refractive index obtained, with the measured reflectances is satisfactory.

An experimental and modeling study of humic acid concentration effect on H(+) binding: Application of the NICA-Donnan model.

PubMed

Vidali, Roza; Remoundaki, Emmanouela; Tsezos, Marios

2009-11-15

Humic substances are the most abundant components of the colloidal and the dissolved fraction of natural organic matter (NOM) and they are characterized by a strong binding capacity for both metals and organic pollutants, affecting their mobility and bioavailability. The understanding of the humic acidic character is the first necessary step for the study of the mechanisms of binding of other positively charged soluble metal species by humic molecules. The present work, which constitutes part of the Ph.D. thesis of Roza Vidali, reports results on the influence of the concentration of humic acids on the binding of protons obtained through both an experimental and a modeling approach. A reference purified peat humic acid (PPHA) isolated by the International Humic Substances Society (IHSS) and a humic acid from a Greek soil (GHA) were experimentally studied at various humic acid concentrations, ranging from 20 to 200mgL(-1). The proton binding isotherms obtained at different humic acid concentrations have shown that proton binding is dependent on the concentration of both humic acids. Proton binding experimental data were fitted to the NICA-Donnan model and the model parameter values were calculated for humic acid concentrations of 20 and >or=100mgL(-1). The results obtained for the NICA-Donnan parameters at humic acid concentrations >or=100mgL(-1) are in excellent agreement with those reported in the literature. However, these model parameter values cannot be used for modeling and predicting cation binding in natural aquatic systems, where humic acid concentrations are much lower. Two sets of the NICA-Donnan parameters are reported: one for humic acid concentrations of >or=100mgL(-1) and one for humic acid concentration of 20mgL(-1). The significance of the parameters values for each concentration level is also discussed.

Stochastic mechanical model of vocal folds for producing jitter and for identifying pathologies through real voices.

PubMed

Cataldo, E; Soize, C

2018-06-06

Jitter, in voice production applications, is a random phenomenon characterized by the deviation of the glottal cycle length with respect to a mean value. Its study can help in identifying pathologies related to the vocal folds according to the values obtained through the different ways to measure it. This paper aims to propose a stochastic model, considering three control parameters, to generate jitter based on a deterministic one-mass model for the dynamics of the vocal folds and to identify parameters from the stochastic model taking into account real voice signals experimentally obtained. To solve the corresponding stochastic inverse problem, the cost function used is based on the distance between probability density functions of the random variables associated with the fundamental frequencies obtained by the experimental voices and the simulated ones, and also on the distance between features extracted from the voice signals, simulated and experimental, to calculate jitter. The results obtained show that the model proposed is valid and some samples of voices are synthesized considering the identified parameters for normal and pathological cases. The strategy adopted is also a novelty and mainly because a solution was obtained. In addition to the use of three parameters to construct the model of jitter, it is the discussion of a parameter related to the bandwidth of the power spectral density function of the stochastic process to measure the quality of the signal generated. A study about the influence of all the main parameters is also performed. The identification of the parameters of the model considering pathological cases is maybe of all novelties introduced by the paper the most interesting. Copyright © 2018 Elsevier Ltd. All rights reserved.

Feasibility of using near-infrared spectroscopy to diagnose testicular torsion: an experimental study in sheep.

PubMed

Capraro, Geoffrey A; Mader, Timothy J; Coughlin, Bret F; Lovewell, Carolanne; St Louis, Myron R L; Tirabassi, Michael; Wadie, George; Smithline, Howard A

2007-04-01

To assess whether near-infrared spectroscopy can detect testicular hypoxia in a sheep model of testicular torsion within 6 hours of experimental torsion. This was a randomized, controlled, nonblinded study. Trans-scrotal, near-infrared, spectroscopy-derived testicular tissue saturation of oxygen values were obtained from the posterior hemiscrota of 6 anesthetized sheep at baseline and every 15 minutes for 6 hours after either experimental-side, 720-degree, unilateral, medial testicular torsion and orchidopexy or control-side sham procedure with orchidopexy and then for 75 minutes after reduction of torsion and pexy. Color Doppler ultrasonography was performed every 30 minutes to confirm loss of vascular flow on the experimental side, return of flow after torsion reduction, and preserved flow on the control side. Near infrared spectroscopy detected a prompt, sustained reduction in testicular tissue saturation of oxygen after experimental torsion. Further, it documented a rapid return of these values to pretorsion levels after reduction of torsion. Experimental-side testicular tissue saturation of oxygen fell from a median value of 59% (interquartile range [IQR] 57% to 69%) at baseline to 14% (IQR 11% to 29%) at 2.5 hours of torsion, and postreduction values were approximately 70%. Control-side testicular tissue saturation of oxygen values increased from a median value of 67% (IQR 59% to 68%) at baseline to 77% (IQR 77% to 94%) at 2.5 hours and remained at approximately 80% for the entire protocol. The difference in median testicular tissue saturation of oxygen between experimental and control sides, using the Friedman test, was found to be significant (P=.017). This study demonstrates the feasibility, in a sheep model, of using near-infrared spectroscopy for the noninvasive diagnosis of testicular torsion and for quantification of reperfusion after torsion reduction. The applicability of these findings, from an animal model using complete torsion, to the clinical setting remains to be established.

Tufted capuchins (Cebus apella) attribute value to foods and tools during voluntary exchanges with humans.

PubMed

Westergaard, Gregory C; Liv, Chanya; Rocca, Andrea M; Cleveland, Allison; Suomi, Stephen J

2004-01-01

This research examined exchange and value attribution in tufted capuchin monkeys ( Cebus apella). We presented subjects with opportunities to obtain various foods and a tool from an experimenter in exchange for the foods or tool in the subjects' possession. The times elapsed before the first chow biscuits were expelled and/or an exchange took place were recorded as the dependent measures. Laboratory chow biscuits, grapes, apples, and a metal bolt (a tool used to probe for syrup) were used as experimental stimuli. The subjects demonstrated the ability to recognize that exchanges could occur when an experimenter was present with a desirable food. Results indicate that subjects exhibited significant variation in their willingness to barter based upon the types of foods that were both in their possession and presented by the experimenter. Subjects more readily traded chow biscuits for fruit, and more readily traded apples for grapes than grapes for apples. During the exchange of tools and food, the subjects preferred the following in descending order when the probing apparatus was baited with sweet syrup: grapes, metal bolts, and chow biscuits. However when the apparatus was not baited, the values changed to the following in descending order: grapes, chow, and metal bolts. These results indicate that tufted capuchins recognize opportunities to exchange and engage in a simple barter system whereby low-valued foods are readily traded for more highly valued food. Furthermore, these capuchins demonstrate that their value for a tool changes depending upon its utility.

Structural, spectral, NLO and MEP analysis of the [MgO2Ti2(OPri)6], [MgO2Ti2(OPri)2(acac)4] and [MgO2Ti2(OPri)2(bzac)4] by DFT method

NASA Astrophysics Data System (ADS)

Sayin, Koray; Karakaş, Duran

2015-06-01

Quantum chemical calculations are performed on [MgO2Ti2(OPri)6] and [MgO2Ti2(OPri)2(L)4] complexes. L is acetylacetonate (acac) and benzoylacetonate (bzac) anion. The crystal structures of these complexes have not been obtained as experimentally but optimized structures of these complexes are obtained as theoretically in this study. Universal force field (UFF) and DFT/B3LYP method are used to obtain optimized structures. Theoretical spectral analysis (IR, 1H and 13C NMR) is compared with their experimental values. A good agreement is found between experimental and theoretical spectral analysis. These results mean that the optimized structures of mentioned complexes are appropriate. Additionally, the active sites of mentioned complexes are determined by molecular electrostatic potential (MEP) diagrams and non-linear optical (NLO) properties are investigated.

Efficiency of Geiger-Muller Counter; EFICIENCIA DE UN CONTADOR GEIGER-MULLER

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rapaport, J.

1960-05-01

Factors affecting the efflciency of a Geiger-Muller counter are given, and the experimental techniques used to measure each of these factors are described. The values obtained for each factor are shown in graphic and tabular form. (J.S.R.)

Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges.

PubMed

Lara, A; Riquelme, M; Vöhringer-Martinez, E

2018-05-11

Partition coefficients serve in various areas as pharmacology and environmental sciences to predict the hydrophobicity of different substances. Recently, they have also been used to address the accuracy of force fields for various organic compounds and specifically the methylated DNA bases. In this study, atomic charges were derived by different partitioning methods (Hirshfeld and Minimal Basis Iterative Stockholder) directly from the electron density obtained by electronic structure calculations in a vacuum, with an implicit solvation model or with explicit solvation taking the dynamics of the solute and the solvent into account. To test the ability of these charges to describe electrostatic interactions in force fields for condensed phases, the original atomic charges of the AMBER99 force field were replaced with the new atomic charges and combined with different solvent models to obtain the hydration and chloroform solvation free energies by molecular dynamics simulations. Chloroform-water partition coefficients derived from the obtained free energies were compared to experimental and previously reported values obtained with the GAFF or the AMBER-99 force field. The results show that good agreement with experimental data is obtained when the polarization of the electron density by the solvent has been taken into account, and when the energy needed to polarize the electron density of the solute has been considered in the transfer free energy. These results were further confirmed by hydration free energies of polar and aromatic amino acid side chain analogs. Comparison of the two partitioning methods, Hirshfeld-I and Minimal Basis Iterative Stockholder (MBIS), revealed some deficiencies in the Hirshfeld-I method related to the unstable isolated anionic nitrogen pro-atom used in the method. Hydration free energies and partitioning coefficients obtained with atomic charges from the MBIS partitioning method accounting for polarization by the implicit solvation model are in good agreement with the experimental values. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Optimization of torrefaction conditions of coffee industry residues using desirability function approach.

PubMed

Buratti, C; Barbanera, M; Lascaro, E; Cotana, F

2018-03-01

The aim of the present study is to analyze the influence of independent process variables such as temperature, residence time, and heating rate on the torrefaction process of coffee chaff (CC) and spent coffee grounds (SCGs). Response surface methodology and a three-factor and three-level Box-Behnken design were used in order to evaluate the effects of the process variables on the weight loss (W L ) and the Higher Heating Value (HHV) of the torrefied materials. Results showed that the effects of the three factors on both responses were sequenced as follows: temperature>residence time>heating rate. Data obtained from the experiments were analyzed by analysis of variance (ANOVA) and fitted to second-order polynomial models by using multiple regression analysis. Predictive models were determined, able to obtain satisfactory fittings of the experimental data, with coefficient of determination (R 2 ) values higher than 0.95. An optimization study using Derringer's desired function methodology was also carried out and the optimal torrefaction conditions were found: temperature 271.7°C, residence time 20min, heating rate 5°C/min for CC and 256.0°C, 20min, 25°C/min for SCGs. The experimental values closely agree with the corresponding predicted values. Copyright © 2017 Elsevier Ltd. All rights reserved.

Information-theoretic indices usage for the prediction and calculation of octanol-water partition coefficient.

PubMed

Persona, Marek; Kutarov, Vladimir V; Kats, Boris M; Persona, Andrzej; Marczewska, Barbara

2007-01-01

The paper describes the new prediction method of octanol-water partition coefficient, which is based on molecular graph theory. The results obtained using the new method are well correlated with experimental values. These results were compared with the ones obtained by use of ten other structure correlated methods. The comparison shows that graph theory can be very useful in structure correlation research.

Behavior of ceramic particles at the solid-liquid metal interface in metal matrix composites

NASA Technical Reports Server (NTRS)

Stefanescu, D. M.; Dhindaw, B. K.; Kacar, S. A.; Moitra, A.

1988-01-01

Directional solidification results were obtained in order to investigate particle behavior at the solid-liquid interface in Al-2 pct Mg (cellular interface) and Al-6.1 pct Ni (eutectic interface) alloys. It is found that particles can be entrapped in the solid if adequate solidification rates and temperature gradients are used. Model results showed critical velocity values slightly higher than those obtained experimentally.

Poisson-Nernst-Planck Models of Nonequilibrium Ion Electrodiffusion through a Protegrin Transmembrane Pore

PubMed Central

Bolintineanu, Dan S.; Sayyed-Ahmad, Abdallah; Davis, H. Ted; Kaznessis, Yiannis N.

2009-01-01

Protegrin peptides are potent antimicrobial agents believed to act against a variety of pathogens by forming nonselective transmembrane pores in the bacterial cell membrane. We have employed 3D Poisson-Nernst-Planck (PNP) calculations to determine the steady-state ion conduction characteristics of such pores at applied voltages in the range of −100 to +100 mV in 0.1 M KCl bath solutions. We have tested a variety of pore structures extracted from molecular dynamics (MD) simulations based on an experimentally proposed octomeric pore structure. The computed single-channel conductance values were in the range of 290–680 pS. Better agreement with the experimental range of 40–360 pS was obtained using structures from the last 40 ns of the MD simulation, where conductance values range from 280 to 430 pS. We observed no significant variation of the conductance with applied voltage in any of the structures that we tested, suggesting that the voltage dependence observed experimentally is a result of voltage-dependent channel formation rather than an inherent feature of the open pore structure. We have found the pore to be highly selective for anions, with anionic to cationic current ratios (ICl−/IK+) on the order of 103. This is consistent with the highly cationic nature of the pore but surprisingly in disagreement with the experimental finding of only slight anionic selectivity. We have additionally tested the sensitivity of our PNP model to several parameters and found the ion diffusion coefficients to have a significant influence on conductance characteristics. The best agreement with experimental data was obtained using a diffusion coefficient for each ion set to 10% of the bulk literature value everywhere inside the channel, a scaling used by several other studies employing PNP calculations. Overall, this work presents a useful link between previous work focused on the structure of protegrin pores and experimental efforts aimed at investigating their conductance characteristics. PMID:19180178

Energy levels scheme simulation of divalent cobalt doped bismuth germanate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andreici, Emiliana-Laura, E-mail: andreicilaura@yahoo.com; Petkova, Petya; Avram, Nicolae M.

The aim of this paper is to simulate the energy levels scheme for Bismuth Germanate (BGO) doped with divalent cobalt, in order to give a reliable explanation for spectral experimental data. In the semiempirical crystal field theory we first modeled the Crystal Field Parameters (CFPs) of BGO:Cr{sup 2+} system, in the frame of Exchange Charge Model (ECM), with actually site symmetry of the impurity ions after doping. The values of CFPs depend on the geometry of doped host matrix and by parameter G of ECM. First, we optimized the geometry of undoped BGO host matrix and afterwards, that of dopedmore » BGO with divalent cobalt. The charges effect of ligands and covalence bonding between cobalt cations and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the CFPs we simulate the energy levels scheme of cobalt ions, by diagonalizing the matrix of the doped crystal Hamiltonian. Obviously, energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison of obtained results with experimental data shows quite satisfactory, which justify the model and simulation schemes used for the title system.« less

The experimental and calculated characteristics of 22 tapered wings

NASA Technical Reports Server (NTRS)

Anderson, Raymond F

1938-01-01

The experimental and calculated aerodynamic characteristics of 22 tapered wings are compared, using tests made in the variable-density wind tunnel. The wings had aspect ratios from 6 to 12 and taper ratios from 1:6:1 and 5:1. The compared characteristics are the pitching moment, the aerodynamic-center position, the lift-curve slope, the maximum lift coefficient, and the curves of drag. The method of obtaining the calculated values is based on the use of wing theory and experimentally determined airfoil section data. In general, the experimental and calculated characteristics are in sufficiently good agreement that the method may be applied to many problems of airplane design.

Fractal pharmacokinetics of the drug mibefradil in the liver

NASA Astrophysics Data System (ADS)

Fuite, J.; Marsh, R.; Tuszyński, J.

2002-08-01

We explore the ramifications of the fractal geometry of the key organ for drug elimination, the liver, on pharmacokinetic data analysis. A formalism is developed for the use of a combination of well-stirred Euclidean and fractal compartments in the body. Perturbation analysis is carried out to obtain analytical solutions for the drug concentration time evolution. These results are then fitted to experimental data collected from clinically instrumented dogs [see, A. Skerjanec et al., J. Pharm. Sci. 85, 189 (1995)] using the drug mibefradil. The thus obtained spectral fractal dimension has a range of values that is consistent with the value found in independently performed ultrasound experiments on the liver.

Selective Laser Melting of Pure Copper

NASA Astrophysics Data System (ADS)

Ikeshoji, Toshi-Taka; Nakamura, Kazuya; Yonehara, Makiko; Imai, Ken; Kyogoku, Hideki

2017-12-01

Appropriate building parameters for selective laser melting of 99.9% pure copper powder were investigated at relatively high laser power of 800 W for hatch pitch in the range from 0.025 mm to 0.12 mm. The highest relative density of the built material was 99.6%, obtained at hatch pitch of 0.10 mm. Building conditions were also studied using transient heat analysis in finite element modeling of the liquidation and solidification of the powder layer. The estimated melt pool length and width were comparable to values obtained by observations using a thermoviewer. The trend for the melt pool width versus the hatch pitch agreed with experimental values.

Selective Laser Melting of Pure Copper

NASA Astrophysics Data System (ADS)

Ikeshoji, Toshi-Taka; Nakamura, Kazuya; Yonehara, Makiko; Imai, Ken; Kyogoku, Hideki

2018-03-01

Appropriate building parameters for selective laser melting of 99.9% pure copper powder were investigated at relatively high laser power of 800 W for hatch pitch in the range from 0.025 mm to 0.12 mm. The highest relative density of the built material was 99.6%, obtained at hatch pitch of 0.10 mm. Building conditions were also studied using transient heat analysis in finite element modeling of the liquidation and solidification of the powder layer. The estimated melt pool length and width were comparable to values obtained by observations using a thermoviewer. The trend for the melt pool width versus the hatch pitch agreed with experimental values.

An efficient method for the computation of Legendre moments.

PubMed

Yap, Pew-Thian; Paramesran, Raveendran

2005-12-01

Legendre moments are continuous moments, hence, when applied to discrete-space images, numerical approximation is involved and error occurs. This paper proposes a method to compute the exact values of the moments by mathematically integrating the Legendre polynomials over the corresponding intervals of the image pixels. Experimental results show that the values obtained match those calculated theoretically, and the image reconstructed from these moments have lower error than that of the conventional methods for the same order. Although the same set of exact Legendre moments can be obtained indirectly from the set of geometric moments, the computation time taken is much longer than the proposed method.

Significance of third-order elasticity for determination of the pressure coefficient of the light emission in strained quantum wells

NASA Astrophysics Data System (ADS)

Łepkowski, S. P.

2008-10-01

We investigate the contribution arising from third-order elasticity to the pressure coefficient of the light emission (dEE/dP) in strained zinc-blende InGaAs/GaAs and InGaN/GaN quantum wells (QWs) grown in a (001) direction. In the framework of the third-order elasticity theory, we develop a model of pressure tuning of strains in these structures, which is then used to determine the coefficient dEE/dP . In the calculations of dEE/dP , we use a consistent set of the second- and third-order elastic constants which has been obtained from ab initio calculations. Our results indicate that the usage of third-order elasticity leads to significant reduction in dEE/dP in strained (001)-oriented InGaAs/GaAs and InGaN/GaN QWs, in comparison to the values of dEE/dP obtained by using the linear theory of elasticity. In the case of InGaAs/GaAs QWs, the values of dEE/dP calculated using third-order elasticity are in reasonable agreement with experimental data. For InGaN/GaN QWs, better agreement between theoretical and experimental values of dEE/dP is obtained when instead of third-order elasticity, pressure dependence of the second-order elastic constants is taken into account.

Extracting the QCD ΛMS¯ parameter in Drell-Yan process using Collins-Soper-Sterman approach

NASA Astrophysics Data System (ADS)

Taghavi, R.; Mirjalili, A.

2017-03-01

In this work, we directly fit the QCD dimensional transmutation parameter, ΛMS¯, to experimental data of Drell-Yan (DY) observables. For this purpose, we first obtain the evolution of transverse momentum dependent parton distribution functions (TMDPDFs) up to the next-to-next-to-leading logarithm (NNLL) approximation based on Collins-Soper-Sterman (CSS) formalism. As is expecting the TMDPDFs are appearing at larger values of transverse momentum by increasing the energy scales and also the order of approximation. Then we calculate the cross-section related to the TMDPDFs in the DY process. As a consequence of global fitting to the five sets of experimental data at different low center-of-mass energies and one set at high center-of-mass energy, using CETQ06 parametrizations as our boundary condition, we obtain ΛMS¯ = 221 ± 7(stat) ± 54(theory) MeV corresponding to the renormalized coupling constant αs(Mz2) = 0.117 ± 0.001(stat) ± 0.004(theory) which is within the acceptable range for this quantity. The goodness of χ2/d.o.f = 1.34 shows the results for DY cross-section are in good agreement with different experimental sets, containing E288, E605 and R209 at low center-of-mass energies and D0, CDF data at high center-of-mass energy. The repeated calculations, using HERAPDFs parametrizations is yielding us numerical values for fitted parameters very close to what we obtain using CETQ06 PDFs set. This indicates that the obtained results have enough stability by variations in the boundary conditions.

Dose Distribution in Cone-Beam Breast Computed Tomography: An Experimental Phantom Study

NASA Astrophysics Data System (ADS)

Russo, Paolo; Lauria, Adele; Mettivier, Giovanni; Montesi, Maria Cristina; Villani, Natalia

2010-02-01

We measured the spatial distribution of absorbed dose in a 14 cm diameter PMMA half-ellipsoid phantom simulating the uncompressed breast, using an X-ray cone-beam breast computed tomography apparatus, assembled for laboratory tests. Thermoluminescent dosimeters (TLD-100) were placed inside the phantom in six positions, both axially and at the phantom periphery. To study the dose distribution inside the PMMA phantom two experimental setups were adopted with effective energies in the range 28.7-44.4 keV. Different values of effective energies were obtained by combining different configurations of added Cu filtration (0.05 mm or 0.2 mm) and tube voltages (from 50 kVp to 80 kVp). Dose values obtained by TLDs in different positions inside the PMMA are reported. To evaluate the dose distribution in the breast shaped volume, the values measured were normalized to the one obtained in the inner position inside the phantom. Measurements with a low energy setup show a gradual increment of dose going from the "chest wall" to the "nipple" (63% more at the "nipple" compared to the central position). Likewise, a gradual increment is observed going from the breast axis toward the periphery (82% more at the "skin" compared to the central position). A more uniform distribution of dose inside the PMMA was obtained with a high energy setup (the maximum variation was 33% at 35.5 keV effective energy in the radial direction). The most uniform distribution is obtained at 44.4 keV. The results of this study show how the dose is distributed: it varies as a function of effective energy of the incident X-ray beam and as a function of the position inside the volume (axial or peripheral position).

Charles' Law of Gases.

ERIC Educational Resources Information Center

Petty, John T.

1995-01-01

Describes an experiment that uses air to test Charles' law. Reinforces the student's intuitive feel for Charles' law with quantitative numbers they can see, introduces the idea of extrapolating experimental data to obtain a theoretical value, and gives a physical quantitative meaning to the concept of absolute zero. (JRH)

Subharmonic generation, chaos, and subharmonic resurrection in an acoustically driven fluid-filled cavity.

PubMed

Cantrell, John H; Adler, Laszlo; Yost, William T

2015-02-01

Traveling wave solutions of the nonlinear acoustic wave equation are obtained for the fundamental and second harmonic resonances of a fluid-filled cavity. The solutions lead to the development of a non-autonomous toy model for cavity oscillations. Application of the Melnikov method to the model equation predicts homoclinic bifurcation of the Smale horseshoe type leading to a cascade of period doublings with increasing drive displacement amplitude culminating in chaos. The threshold value of the drive displacement amplitude at tangency is obtained in terms of the acoustic drive frequency and fluid attenuation coefficient. The model prediction of subharmonic generation leading to chaos is validated from acousto-optic diffraction measurements in a water-filled cavity using a 5 MHz acoustic drive frequency and from the measured frequency spectrum in the bifurcation cascade regime. The calculated resonant threshold amplitude of 0.2 nm for tangency is consistent with values estimated for the experimental set-up. Experimental evidence for the appearance of a stable subharmonic beyond chaos is reported.

True detection limits in an experimental linearly heteroscedastic system. Part 1

NASA Astrophysics Data System (ADS)

Voigtman, Edward; Abraham, Kevin T.

2011-11-01

Using a lab-constructed laser-excited filter fluorimeter deliberately designed to exhibit linearly heteroscedastic, additive Gaussian noise, it has been shown that accurate estimates may be made of the true theoretical Currie decision levels ( YC and XC) and true Currie detection limits ( YD and XD) for the detection of rhodamine 6 G tetrafluoroborate in ethanol. The obtained experimental values, for 5% probability of false positives and 5% probability of false negatives, were YC = 56.1 mV, YD = 125. mV, XC = 0.132 μg /mL and XD = 0.294 μg /mL. For 5% probability of false positives and 1% probability of false negatives, the obtained detection limits were YD = 158. mV and XD = 0.372 μg /mL. These decision levels and corresponding detection limits were shown to pass the ultimate test: they resulted in observed probabilities of false positives and false negatives that were statistically equivalent to the a priori specified values.

Effect of oxygen impurities on properties of the ternary superconductor SnMo/sub 6/S/sub 8/: Extended x-ray-absorption fine-structure determination of bond distances and local-density cluster calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guenzburger, D.; Ellis, D.E.; Montano, P.A.

1985-10-01

Electronic structure calculations were performed for clusters representing the Chevrel-phase SnMo/sub 6/S/sub 8/, with and without oxygen doping. In order to obtain the local structure around the Sn atom, extended x-ray-absorption fine-structure (EXAFS) measurements were made with synchro- tron radiation. The interatomic distances obtained experimentally were used in the calculations. The effect of oxygen doping on the Moessbauer isomer shift and quadrupole splitting values of /sup 119/Sn was investigated theoretically and compared with reported experimental values. The effect of oxygen substitution on the density of states at the Fermi energy of the (Mo/sub 6/S/sub 8/)/sup 2 -/ cluster was alsomore » studied. The results suggest that oxygen doping does not alter significantly the electronic structure of SnMo/sub 6/S/sub 8/.« less

Structure and dynamics of the CrIII ion in aqueous solution: Ab initio QM/MM molecular dynamics simulation.

PubMed

Kritayakornupong, Chinapong; Plankensteiner, Kristof; Rode, Bernd M

2004-10-01

Structural and dynamical properties of the Cr(III) ion in aqueous solution have been investigated using a combined ab initio quantum mechanical/molecular mechanical (QM/MM) molecular dynamics simulation. The hydration structure of Cr(III) was determined in terms of radial distribution functions, coordination numbers, and angular distributions. The QM/MM simulation gives coordination numbers of 6 and 15.4 for the first and second hydration shell, respectively. The first hydration shell is kinetically very inert but by no means rigid and variations of the first hydration shell geometry lead to distinct splitting in the vibrational spectra of Cr(H(2)O)(6) (3+). A mean residence time of 22 ps was obtained for water ligands residing in the second hydration shell, which is remarkably shorter than the experimentally estimated value. The hydration energy of -1108 +/- 7 kcal/mol, obtained from the QM/MM simulation, corresponds well to the experimental hydration enthalpy value. Copyright 2004 Wiley Periodicals, Inc.

Numerical and experimental research on pentagonal cross-section of the averaging Pitot tube

NASA Astrophysics Data System (ADS)

Zhang, Jili; Li, Wei; Liang, Ruobing; Zhao, Tianyi; Liu, Yacheng; Liu, Mingsheng

2017-07-01

Averaging Pitot tubes have been widely used in many fields because of their simple structure and stable performance. This paper introduces a new shape of the cross-section of an averaging Pitot tube. Firstly, the structure of the averaging Pitot tube and the distribution of pressure taps are given. Then, a mathematical model of the airflow around it is formulated. After that, a series of numerical simulations are carried out to optimize the geometry of the tube. The distribution of the streamline and pressures around the tube are given. To test its performance, a test platform was constructed in accordance with the relevant national standards and is described in this paper. Curves are provided, linking the values of flow coefficient with the values of Reynolds number. With a maximum deviation of only  ±3%, the results of the flow coefficient obtained from the numerical simulations were in agreement with those obtained from experimental methods. The proposed tube has a stable flow coefficient and favorable metrological characteristics.

Strength analysis of aged polymer composites subjected to tensile loads

NASA Astrophysics Data System (ADS)

Valesyan, S.

2018-04-01

It follows from the obtained data that the change of durability of the getinacks in stretching significantly depends on the pressing pressure value both at the age of 1 year and at the age of 4 years. According to the data, in the case of samples of the first series, the ageing has not practically affected the durability of getinacks in stretching. In the case of samples of other series, the increase of age from 1 year to 4 years results in an increase of the getinacks durability, in particular, the increase is about 9% for the third series. Comparing the values of failure tensile stresses given in the handbook of electrotechnics materials [1] with the data obtained by experimental investigation of aged glass textolite (GFRP composite-laminate) with the woven fiber orientation 0° and 90°, one can see a corresponding increase by approximately 25% and 35%. The test results are approximated and compared with the experimental data. The corresponding figures are plotted on the basis of these data.

Quantum chemical calculations of glycine glutaric acid

NASA Astrophysics Data System (ADS)

Arioǧlu, ćaǧla; Tamer, Ömer; Avci, Davut; Atalay, Yusuf

2017-02-01

Density functional theory (DFT) calculations of glycine glutaric acid were performed by using B3LYP levels with 6-311++G(d,p) basis set. The theoretical structural parameters such as bond lengths and bond angles are in a good agreement with the experimental values of the title compound. HOMO and LUMO energies were calculated, and the obtained energy gap shows that charge transfer occurs in the title compound. Vibrational frequencies were calculated and compare with experimental ones. 3D molecular surfaces of the title compound were simulated using the same level and basis set. Finally, the 13C and 1H NMR chemical shift values were calculated by the application of the gauge independent atomic orbital (GIAO) method.

Experimental approach to the anion problem in DFT calculation of the partial charge transfer during adsorption at electrochemical interfaces

NASA Astrophysics Data System (ADS)

Marichev, V. A.

2005-08-01

In DFT calculation of the charge transfer (Δ N), anions pose a special problem since their electron affinities are unknown. There is no method for calculating reasonable values of the absolute electronegativity ( χA) and chemical hardness ( ηA) for ions from data of species themselves. We propose a new approach to the experimental measurement of χA at the condition: Δ N = 0 at which η values may be neglected and χA = χMe. Electrochemical parameters corresponding to this condition may be obtained by the contact electric resistance method during in situ investigation of anion adsorption in the particular system anion-metal.

Validation of the Monte Carlo simulator GATE for indium-111 imaging.

PubMed

Assié, K; Gardin, I; Véra, P; Buvat, I

2005-07-07

Monte Carlo simulations are useful for optimizing and assessing single photon emission computed tomography (SPECT) protocols, especially when aiming at measuring quantitative parameters from SPECT images. Before Monte Carlo simulated data can be trusted, the simulation model must be validated. The purpose of this work was to validate the use of GATE, a new Monte Carlo simulation platform based on GEANT4, for modelling indium-111 SPECT data, the quantification of which is of foremost importance for dosimetric studies. To that end, acquisitions of (111)In line sources in air and in water and of a cylindrical phantom were performed, together with the corresponding simulations. The simulation model included Monte Carlo modelling of the camera collimator and of a back-compartment accounting for photomultiplier tubes and associated electronics. Energy spectra, spatial resolution, sensitivity values, images and count profiles obtained for experimental and simulated data were compared. An excellent agreement was found between experimental and simulated energy spectra. For source-to-collimator distances varying from 0 to 20 cm, simulated and experimental spatial resolution differed by less than 2% in air, while the simulated sensitivity values were within 4% of the experimental values. The simulation of the cylindrical phantom closely reproduced the experimental data. These results suggest that GATE enables accurate simulation of (111)In SPECT acquisitions.

Radial stiffness improvement of a flywheel system using multi-surface superconducting levitation

NASA Astrophysics Data System (ADS)

Basaran, Sinan; Sivrioglu, Selim

2017-03-01

The goal of this research study is the maximization of the levitation force in a flywheel system by the use of more than one permanent magnet with a single ring-shaped HTS material. An analytical model for the radial stiffness of the ring HTS-PM is derived using the frozen image approach. The experimental works are carried out for different polarizations of the permanent magnets, and radial stiffness values are obtained from the radial force measurements. The rotational test of the flywheel system is also realized for different cases. Finally, natural frequencies of the flywheel superconducting magnetic bearing system are experimentally obtained for different combinations of the permanent magnets using a frequency analyzer.

A Study of Specific Fracture Energy at Percussion Drilling

NASA Astrophysics Data System (ADS)

A, Shadrina; T, Kabanova; V, Krets; L, Saruev

2014-08-01

The paper presents experimental studies of rock failure provided by percussion drilling. Quantification and qualitative analysis were carried out to estimate critical values of rock failure depending on the hammer pre-impact velocity, types of drill bits and cylindrical hammer parameters (weight, length, diameter), and turn angle of a drill bit. Obtained data in this work were compared with obtained results by other researchers. The particle-size distribution in granite-cutting sludge was analyzed in this paper. Statistical approach (Spearmen's rank-order correlation, multiple regression analysis with dummy variables, Kruskal-Wallis nonparametric test) was used to analyze the drilling process. Experimental data will be useful for specialists engaged in simulation and illustration of rock failure.

Compton profiles of some composite materials normalized by a new method

NASA Astrophysics Data System (ADS)

Sankarshan, B. M.; Umesh, T. K.

2018-03-01

Recently, we have shown that as a novel approach, in the case of samples which can be treated as pure incoherent scatterers, the effective atomic number Zeff itself could be conveniently used to normalize their un-normalized Compton profiles. In the present investigation, we have attempted to examine the efficacy of this approach. For this purpose, we have first determined the single differential Compton scattering cross sections (SDCS) of the elements C and Al as well as of some H, C, N and O based polymer samples such as bakelite, epoxy, nylon and teflon which are pure incoherent scatterers. The measurements were made at 120° in a goniometer assembly that employs a high resolution high purity germanium detector. The SDCS values were used to obtain the Zeff and the un-normalized Compton profiles. These Compton profiles were separately normalized with their Zeff values (for Compton scattering) as well as with the normalization constant obtained by integrating their Hartree-Fock Biggs et al Compton profiles based on the mixture rule. These two sets of values agreed well within the range of experimental errors, implying that Zeff can be conveniently used to normalize the experimental Compton profiles of pure incoherent scatterers.

Development and investigation of silicon converter beta radiation 63Ni isotope

NASA Astrophysics Data System (ADS)

Krasnov, A. A.; Legotin, S. A.; Murashev, V. N.; Didenko, S. I.; Rabinovich, O. I.; Yurchuk, S. Yu; Omelchenko, Yu K.; Yakimov, E. B.; Starkov, V. V.

2016-02-01

In this paper the results of the creation and researching characteristics of, experimental betavoltaic converters (BVC), based on silicon are discussed. It was presented the features of structural and technological performance of planar 2 D- structure of BVC. To study the parameters of the converter stream the beta particles of the radioisotope was simulated by 63Ni electron flux from scanning electron microscope. It was investigated the dependence of the collecting electrons efficiency from the beam energy current-voltage characteristic was measured when irradiated by an electron beam, from which the value of the short-circuit current density equal to 126 nA / cm2 and the value of the open circuit voltage of 150 mV were obtained. The maximum power density at 70 mV is 9.5 nW / cm2, and the conversion efficiency is 2.1%. It was presented the results of experimental studies of the current-voltage characteristics of samples by irradiating a film 63Ni. The values of load voltage 111 mV and short circuit current density of 27 nA / cm2 were obtained. Maximum power density was 1.52 nW / cm2.

Second- and third-order nonlinear optical properties of unsubstituted and mono-substituted chalcones

NASA Astrophysics Data System (ADS)

Abegão, Luis M. G.; Fonseca, Ruben D.; Santos, Francisco A.; Souza, Gabriela B.; Barreiros, André Luis B. S.; Barreiros, Marizeth L.; Alencar, M. A. R. C.; Mendonça, Cleber R.; Silva, Daniel L.; De Boni, Leonardo; Rodrigues, J. J.

2016-03-01

This work describes the second and third orders of nonlinear optics properties of unsubstituted chalcone (C15H12O) and mono-substituted chalcone (C16H14O2) in solution, using hyper-Rayleigh scattering and Z-Scan techniques to determine the first molecular hyperpolarizability (β) and the two-photon absorption (2PA) cross section respectively. β Values of 25.4 × 10-30 esu and 31.6 × 10-30 esu, for unsubstituted and mono-substituted chalcone, respectively, dissolved in methanol have been obtained. The highest values of 2PA cross-sections obtained were 9 GM and 14 GM for unsubstituted and mono-substituted chalcone, respectively. The experimental 2PA cross sections obtained for each chalcone are in good agreement with theoretical results.

Experimental thermal conductivity, thermal diffusivity, and specific heat values for mixtures of nitrogen, oxygen, and argon

NASA Technical Reports Server (NTRS)

Perkins, R. A.; Cieszkiewicz, M. T.

1991-01-01

Experimental measurements of thermal conductivity and thermal diffusivity obtained with a transient hot-wire apparatus are reported for three mixtures of nitrogen, oxygen, and argon. Values of the specific heat, Cp, are calculated from these measured values and the density calculated with an equation of state. The measurements were made at temperatures between 65 and 303 K with pressures between 0.1 and 70 MPa. The data cover the vapor, liquid, and supercritical gas phases for the three mixtures. The total reported points are 1066 for the air mixture (78.11 percent nitrogen, 20.97 percent oxygen, and 0.92 percent argon), 1058 for the 50 percent nitrogen, 50 percent oxygen mixture, and 864 for the 25 percent nitrogen, 75 oxygen mixture. Empirical thermal conductivity correlations are provided for the three mixtures.

Thermal Effusivity Determination of Metallic Films of Nanometric Thickness by the Electrical Micropulse Method

NASA Astrophysics Data System (ADS)

Lugo, J. M.; Oliva, A. I.

2017-02-01

The thermal effusivity of gold, aluminum, and copper thin films of nanometric thickness (20 nm to 200 nm) was investigated in terms of the films' thickness. The metallic thin films were deposited onto glass substrates by thermal evaporation, and the thermal effusivity was estimated by using experimental parameters such as the specific heat, thermal conductivity, and thermal diffusivity values obtained at room conditions. The specific heat, thermal conductivity, and thermal diffusivity values of the metallic thin films are determined with a methodology based on the behavior of the thermal profiles of the films when electrical pulses of few microseconds are applied at room conditions. For all the investigated materials, the thermal effusivity decreases with decreased thickness. The thermal effusivity values estimated by the presented methodology are consistent with other reported values obtained under vacuum conditions and more elaborated methodologies.

Optimization-Based Inverse Identification of the Parameters of a Concrete Cap Material Model

NASA Astrophysics Data System (ADS)

Král, Petr; Hokeš, Filip; Hušek, Martin; Kala, Jiří; Hradil, Petr

2017-10-01

Issues concerning the advanced numerical analysis of concrete building structures in sophisticated computing systems currently require the involvement of nonlinear mechanics tools. The efforts to design safer, more durable and mainly more economically efficient concrete structures are supported via the use of advanced nonlinear concrete material models and the geometrically nonlinear approach. The application of nonlinear mechanics tools undoubtedly presents another step towards the approximation of the real behaviour of concrete building structures within the framework of computer numerical simulations. However, the success rate of this application depends on having a perfect understanding of the behaviour of the concrete material models used and having a perfect understanding of the used material model parameters meaning. The effective application of nonlinear concrete material models within computer simulations often becomes very problematic because these material models very often contain parameters (material constants) whose values are difficult to obtain. However, getting of the correct values of material parameters is very important to ensure proper function of a concrete material model used. Today, one possibility, which permits successful solution of the mentioned problem, is the use of optimization algorithms for the purpose of the optimization-based inverse material parameter identification. Parameter identification goes hand in hand with experimental investigation while it trying to find parameter values of the used material model so that the resulting data obtained from the computer simulation will best approximate the experimental data. This paper is focused on the optimization-based inverse identification of the parameters of a concrete cap material model which is known under the name the Continuous Surface Cap Model. Within this paper, material parameters of the model are identified on the basis of interaction between nonlinear computer simulations, gradient based and nature inspired optimization algorithms and experimental data, the latter of which take the form of a load-extension curve obtained from the evaluation of uniaxial tensile test results. The aim of this research was to obtain material model parameters corresponding to the quasi-static tensile loading which may be further used for the research involving dynamic and high-speed tensile loading. Based on the obtained results it can be concluded that the set goal has been reached.

Estimation of Δ R/ R values by benchmark study of the Mössbauer Isomer shifts for Ru, Os complexes using relativistic DFT calculations

NASA Astrophysics Data System (ADS)

Kaneko, Masashi; Yasuhara, Hiroki; Miyashita, Sunao; Nakashima, Satoru

2017-11-01

The present study applies all-electron relativistic DFT calculation with Douglas-Kroll-Hess (DKH) Hamiltonian to each ten sets of Ru and Os compounds. We perform the benchmark investigation of three density functionals (BP86, B3LYP and B2PLYP) using segmented all-electron relativistically contracted (SARC) basis set with the experimental Mössbauer isomer shifts for 99Ru and 189Os nuclides. Geometry optimizations at BP86 theory of level locate the structure in a local minimum. We calculate the contact density to the wavefunction obtained by a single point calculation. All functionals show the good linear correlation with experimental isomer shifts for both 99Ru and 189Os. Especially, B3LYP functional gives a stronger correlation compared to BP86 and B2PLYP functionals. The comparison of contact density between SARC and well-tempered basis set (WTBS) indicated that the numerical convergence of contact density cannot be obtained, but the reproducibility is less sensitive to the choice of basis set. We also estimate the values of Δ R/ R, which is an important nuclear constant, for 99Ru and 189Os nuclides by using the benchmark results. The sign of the calculated Δ R/ R values is consistent with the predicted data for 99Ru and 189Os. We obtain computationally the Δ R/ R values of 99Ru and 189Os (36.2 keV) as 2.35×10-4 and -0.20×10-4, respectively, at B3LYP level for SARC basis set.

Derivation of Hamaker Dispersion Energy of Amorphous Carbon Surfaces in Contact with Liquids Using Photoelectron Energy-Loss Spectra

NASA Astrophysics Data System (ADS)

Godet, Christian; David, Denis

2017-12-01

Hamaker interaction energies and cutoff distances have been calculated for disordered carbon films, in contact with purely dispersive (diiodomethane) or polar (water) liquids, using their experimental dielectric functions ɛ ( q, ω) obtained over a broad energy range. In contrast with previous works, a q-averaged < ɛ ( q, ω) > q is derived from photoelectron energy-loss spectroscopy (XPS-PEELS) where the energy loss function (ELF) < Im[-1/ ɛ ( q, ω)] > q is a weighted average over allowed transferred wave vector values, q, given by the physics of bulk plasmon excitation. For microcrystalline diamond and amorphous carbon films with a wide range of (sp3/sp2 + sp3) hybridization, non-retarded Hamaker energies, A 132 ( L < 1 nm), were calculated in several configurations, and distance and wavenumber cutoff values were then calculated based on A 132 and the dispersive work of adhesion obtained from contact angles. A geometric average approximation, H 0 CVL = ( H 0 CVC H 0 LVL )1/2, holds for the cutoff separation distances obtained for carbon-vacuum-liquid (CVL), carbon-vacuum-carbon (CVC) and liquid-vacuum-liquid (LVL) equilibrium configurations. The linear dependence found for A CVL, A CLC and A CLV values as a function of A CVC, for each liquid, allows predictive relationships for Hamaker energies (in any configuration) using experimental determination of the dispersive component of the surface tension, {γ}_{CV}^d , and a guess value of the cutoff distance H 0 CVC of the solid. [Figure not available: see fulltext.

An Experimental Investigation of Unsteady Thrust Augmentation Using a Speaker-Driven Jet

NASA Technical Reports Server (NTRS)

Paxson, Daniel E.; Wernet, Mark P.; John, Wentworth T.

2004-01-01

An experimental investigation is described in which a simple speaker-driven jet was used as a pulsed thrust source (driver) for an ejector configuration. The objectives of the investigation were twofold: first, to add to the experimental body of evidence showing that an unsteady thrust source, combined with a properly sized ejector generally yields higher thrust augmentation values than a similarly sized, steady driver of equivalent thrust. Second, to identify characteristics of the unsteady driver that may be useful for sizing ejectors, and predicting what thrust augmentation values may be achieved. The speaker-driven jet provided a convenient source for the investigation because it is entirely unsteady (having no mean component) and because relevant parameters such as frequency, time-averaged thrust, and diameter are easily variable. The experimental setup will be described, as will the various measurements made. These include both thrust and Digital Particle Imaging Velocimetry of the driver. It will be shown that thrust augmentation values as high as 1.8 were obtained, that the diameter of the best ejector scaled with the dimensions of the emitted vortex, and that the so-called Formation Number serves as a useful dimensionless number by which to characterize the jet and predict performance.

Effect of levels of inquiry model of science teaching on scientific literacy domain attitudes

NASA Astrophysics Data System (ADS)

Achmad, Maulana; Suhandi, Andi

2017-05-01

The aim of this research was to obtain an overview of the increase scientific literacy attitudes domain in high school students as the effects of the Levels of Inquiry (LOI) model of science teaching. This research using a quasi-experimental methods and randomizedpretest-posttest control group design. The subject of this research was students of grade X in a senior high school in Purwakarta and it consists of two classes who were divided into experimental class (30 students) and control class (30 students). While experimental class was taught LOIand control class was taught Interactive Lecture Demonstration (ILD). Data were collected using an attitude scale scientific literacy test which is based on the Likert scale. Data were analyzed using normality test, homogeneity test, and t-test to the value of N-gain attitude of scientific literacy scale test. The result of percentage average N-gain experimental class and control are 49 and 31 that classified into medium improvement category. Based on the results of hypothesis testing on the N-gain value obtained by the Sig.(One-tailed) 0.000 < 0.050, it means that H1 was accepted. The results showed that scientific literacy domain attitude of students who got learning by LOI is higher than students who got learning by ILD. It can be concluded that the effect of LOI is better to improve scientific literacy domain attitudes significantly.

Development of Switchable Polarity Solvent Draw Solutes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilson, Aaron D.

Results of a computational fluid dynamic (CFD) study of flow and heat transfer in a printed circuit heat exchanger (PCHE) geometry are presented. CFD results obtained from a two-plate model are compared to corresponding experimental results for the validation. This process provides the basis for further application of the CFD code to PCHE design and performance analysis in a variety of internal flow geometries. As a part of the code verification and validation (V&V) process, CFD simulation of a single semicircular straight channel under laminar isothermal conditions was also performed and compared to theoretical results. This comparison yielded excellent agreementmore » with the theoretical values. The two-plate CFD model based on the experimental PCHE design overestimated the effectiveness and underestimated the pressure drop. However, it is found that the discrepancy between the CFD result and experimental data was mainly caused by the uncertainty in the geometry of heat exchanger during the fabrication. The CFD results obtained using a slightly smaller channel diameter yielded good agreement with the experimental data. A separate investigation revealed that the average channel diameter of the OSU PCHE after the diffusion-bonding was 1.93 mm on the cold fluid side and 1.90 mm on the hot fluid side which are both smaller than the nominal design value. Consequently, the CFD code was shown to have sufficient capability to evaluate the heat exchanger thermal-hydraulic performance.« less

Transient Nonequilibrium Molecular Dynamic Simulations of Thermal Conductivity: 1. Simple Fluids

NASA Astrophysics Data System (ADS)

Hulse, R. J.; Rowley, R. L.; Wilding, W. V.

2005-01-01

Thermal conductivity has been previously obtained from molecular dynamics (MD) simulations using either equilibrium (EMD) simulations (from Green--Kubo equations) or from steady-state nonequilibrium (NEMD) simulations. In the case of NEMD, either boundary-driven steady states are simulated or constrained equations of motion are used to obtain steady-state heat transfer rates. Like their experimental counterparts, these nonequilibrium steady-state methods are time consuming and may have convection problems. Here we report a new transient method developed to provide accurate thermal conductivity predictions from MD simulations. In the proposed MD method, molecules that lie within a specified volume are instantaneously heated. The temperature decay of the system of molecules inside the heated volume is compared to the solution of the transient energy equation, and the thermal diffusivity is regressed. Since the density of the fluid is set in the simulation, only the isochoric heat capacity is needed in order to obtain the thermal conductivity. In this study the isochoric heat capacity is determined from energy fluctuations within the simulated fluid. The method is valid in the liquid, vapor, and critical regions. Simulated values for the thermal conductivity of a Lennard-Jones (LJ) fluid were obtained using this new method over a temperature range of 90 to 900 K and a density range of 1-35 kmol · m-3. These values compare favorably with experimental values for argon. The new method has a precision of ±10%. Compared to other methods, the algorithm is quick, easy to code, and applicable to small systems, making the simulations very efficient.

Evaluated Mean Values and Covariances for the Prompt Fission Neutron Spectrum of 239Pu induced by neutrons of 500 keV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neudecker, Denise

2014-07-10

This document provides the numerical values of the evaluated prompt fission neutron spectrum for 239Pu induced by neutrons of 500 keV as well as relative uncertainties and correlations. This document also contains a short description how these data were obtained and shows plots comparing the evaluated results to experimental information as well as the corresponding ENDF/B-VII.1 evaluation.

Automated potentiometric procedure for studying dissolution kinetics acidic drugs under sink conditions.

PubMed

Underwood, F L; Cadwallader, D E

1978-08-01

An automated potentiometric procedure was used for studying in vitro dissolution kinetics of acidic drugs. Theoretical considerations indicated that the pH-stat method could be used to establish approximate sink conditions or, possibly, a perfect sink. Data obtained from dissolution studies using the pH-stat method were compared with data obtained from known sink and nonsink conditions. These comparisons indicated that the pH-stat method can be used to establish a sink condition for dissolution studies. The effective diffusion layer thicknesses for benzoic and salicylic acids dissolving in water were determined, and a theoretical dissolution rate was calculated utilizing these values. The close agreement between the experimental dissolution rates obtained under pH-stat conditions and theoretical dissolution rates indicated that perfect sink conditions were established under the experimental conditions used.

The predictive accuracy of analytical formulas and semiclassical approaches for α decay half-lives of superheavy nuclei

NASA Astrophysics Data System (ADS)

Zhao, T. L.; Bao, X. J.; Guo, S. Q.

2018-02-01

Systematic calculations on the α decay half-lives are performed by using three analytical formulas and two semiclassical approaches. For the three analytical formulas, the experimental α decay half-lives and {Q}α values of the 66 reference nuclei have been used to obtain the coefficients. We get only four adjustable parameters to describe α decay half-lives for even-even, odd-A, and odd-odd nuclei. By comparison between the calculated values from ten analytical formulas and experimental data, it is shown that the new universal decay law (NUDL) foumula is the most accurate one to reproduce the experimental α decay half-lives of the superheavy nuclei (SHN). Meanwhile it is found that the experimental α decay half-lives of SHN are well reproduced by the Royer formula although many parameters are contained. The results show that the NUDL formula and the generalized liquid drop model (GLDM2) with consideration of the preformation factor can give fairly equivalent results for the superheavy nuclei.

Experimental and analytical study of high velocity impact on Kevlar/Epoxy composite plates

NASA Astrophysics Data System (ADS)

Sikarwar, Rahul S.; Velmurugan, Raman; Madhu, Velmuri

2012-12-01

In the present study, impact behavior of Kevlar/Epoxy composite plates has been carried out experimentally by considering different thicknesses and lay-up sequences and compared with analytical results. The effect of thickness, lay-up sequence on energy absorbing capacity has been studied for high velocity impact. Four lay-up sequences and four thickness values have been considered. Initial velocities and residual velocities are measured experimentally to calculate the energy absorbing capacity of laminates. Residual velocity of projectile and energy absorbed by laminates are calculated analytically. The results obtained from analytical study are found to be in good agreement with experimental results. It is observed from the study that 0/90 lay-up sequence is most effective for impact resistance. Delamination area is maximum on the back side of the plate for all thickness values and lay-up sequences. The delamination area on the back is maximum for 0/90/45/-45 laminates compared to other lay-up sequences.

Gas chemical adsorption characterization of lanthanide hexafluoroacetylacetonates

DOE PAGES

Stratz, S. Adam; Jones, Steven J.; Mullen, Austin D.; ...

2017-03-21

Newly-established adsorption enthalpy and entropy values of 12 lanthanide hexafluoroacetylacetonates, denoted Ln[hfac] 4, along with the experimental and theoretical methodology used to obtain these values, are presented for the first time. The results of this work can be used in conjunction with theoretical modeling techniques to optimize a large-scale gas-phase separation experiment using isothermal chromatography. The results to date indicate average adsorption enthalpy and entropy values of the 12 Ln[hfac] 4 complexes ranging from -33 to -139 kJ/mol K and -299 to -557 J/mol, respectively.

MEASUREMENT OF TRACE LEVELS OF DEUTERIUM OXIDE IN BIOLOGIC FLUIDS USING INFRARED SPECTROPHOTOMETRY.

DTIC Science & Technology

Experimental data relevant to the assay of D2O in human serum, urine, and parotid fluid are presented. For serum, with triplicate scans, values of precision...and of accuracy of plus or minus 3% at the 250 p.p.m. D2O level are obtained. By use of parotid fluid the values are narrowed to plus or minus 2% at...aqueous compartments using values for serum water content. Parotid fluid appears to be particularly suitable for biomedical applications due to its ease

Comments on 'Kinetic Study on the Hexacelsian-Celsian Phase Transformation'

NASA Technical Reports Server (NTRS)

Bansal, Narottam P.; Drummond, Charles H., III

1992-01-01

A value of 20.1 +/- 4 kcal/mole for the activation energy (E) for the hexacelsian to celsian phase transformation in BaAl2Si2O8 was reported in an earlier work. In the present work, the earlier experimental data were reanalyzed and a much higher value of E was obtained. This revised E value is consistent with the transformation mechanism of a layered hexacelsian structure into a three-dimensional feldspar structure of celsian which would necessitate the breaking of the Si-O and/or the Al-O bonds.

Minority carrier diffusion length and edge surface-recombination velocity in InP

NASA Technical Reports Server (NTRS)

Hakimzadeh, Roshanak; Bailey, Sheila G.

1993-01-01

A scanning electron microscope was used to obtain the electron-beam-induced current (EBIC) profiles in InP specimens containing a Schottky barrier perpendicular to the scanned (edge) surface. An independent technique was used to measure the edge surface-recombination velocity. These values were used in a fit of the experimental EBIC data with a theoretical expression for normalized EBIC (Donolato, 1982) to obtain the electron (minority carrier) diffusion length.

Experimental Demonstration of Higher Precision Weak-Value-Based Metrology Using Power Recycling

NASA Astrophysics Data System (ADS)

Wang, Yi-Tao; Tang, Jian-Shun; Hu, Gang; Wang, Jian; Yu, Shang; Zhou, Zong-Quan; Cheng, Ze-Di; Xu, Jin-Shi; Fang, Sen-Zhi; Wu, Qing-Lin; Li, Chuan-Feng; Guo, Guang-Can

2016-12-01

The weak-value-based metrology is very promising and has attracted a lot of attention in recent years because of its remarkable ability in signal amplification. However, it is suggested that the upper limit of the precision of this metrology cannot exceed that of classical metrology because of the low sample size caused by the probe loss during postselection. Nevertheless, a recent proposal shows that this probe loss can be reduced by the power-recycling technique, and thus enhance the precision of weak-value-based metrology. Here we experimentally realize the power-recycled interferometric weak-value-based beam-deflection measurement and obtain the amplitude of the detected signal and white noise by discrete Fourier transform. Our results show that the detected signal can be strengthened by power recycling, and the power-recycled weak-value-based signal-to-noise ratio can surpass the upper limit of the classical scheme, corresponding to the shot-noise limit. This work sheds light on higher precision metrology and explores the real advantage of the weak-value-based metrology over classical metrology.

Use of the augmented Young-Laplace equation to model equilibrium and evaporating extended menisci

DOE Office of Scientific and Technical Information (OSTI.GOV)

DasGupta, S.; Schonberg, J.A.; Kim, I.Y.

1993-05-01

The generic importance of fluid flow and change-of-phase heat transfer in the contact line region of an extended meniscus has led to theoretical and experimental research on the details of these transport processes. Numerical solutions of equilibrium and nonequilibrium models based on the augmented Young-Laplace equation were successfully used to evaluate experimental data for an extended meniscus. The data for the equilibrium and nonequilibrium meniscus profiles were obtained optically using ellipsometry and image processing interferometry. A Taylor series expansion of the fourth-order nonlinear transport model was used to obtain the extremely sensitive initial conditions at the interline. The solid-liquid-vapor Hamakermore » constants for the systems were obtained from the experimental data. The consistency of the data was demonstrated by using the combining rules to calculate the unknown value of the Hamaker constant for the experimental substrate. The sensitivity of the meniscus profile to small changes in the environment was demonstrated. Both temperature and intermolecular forces need to be included in modeling transport processes in the contact line region because the chemical potential is a function of both temperature and pressure.« less

Attempt to model laboratory-scale diffusion and retardation data.

PubMed

Hölttä, P; Siitari-Kauppi, M; Hakanen, M; Tukiainen, V

2001-02-01

Different approaches for measuring the interaction between radionuclides and rock matrix are needed to test the compatibility of experimental retardation parameters and transport models used in assessing the safety of the underground repositories for the spent nuclear fuel. In this work, the retardation of sodium, calcium and strontium was studied on mica gneiss, unaltered, moderately altered and strongly altered tonalite using dynamic fracture column method. In-diffusion of calcium into rock cubes was determined to predict retardation in columns. In-diffusion of calcium into moderately and strongly altered tonalite was interpreted using a numerical code FTRANS. The code was able to interprete in-diffusion of weakly sorbing calcium into the saturated porous matrix. Elution curves of calcium for the moderately and strongly altered tonalite fracture columns were explained adequately using FTRANS code and parameters obtained from in-diffusion calculations. In this paper, mass distribution ratio values of sodium, calcium and strontium for intact rock are compared to values, previously obtained for crushed rock from batch and crushed rock column experiments. Kd values obtained from fracture column experiments were one order of magnitude lower than Kd values from batch experiments.

Experimental Method for Characterizing Electrical Steel Sheets in the Normal Direction

PubMed Central

Hihat, Nabil; Lecointe, Jean Philippe; Duchesne, Stephane; Napieralska, Ewa; Belgrand, Thierry

2010-01-01

This paper proposes an experimental method to characterise magnetic laminations in the direction normal to the sheet plane. The principle, which is based on a static excitation to avoid planar eddy currents, is explained and specific test benches are proposed. Measurements of the flux density are made with a sensor moving in and out of an air-gap. A simple analytical model is derived in order to determine the permeability in the normal direction. The experimental results for grain oriented steel sheets are presented and a comparison is provided with values obtained from literature. PMID:22163394

Tomograms for open quantum systems: In(finite) dimensional optical and spin systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thapliyal, Kishore, E-mail: tkishore36@yahoo.com; Banerjee, Subhashish, E-mail: subhashish@iitj.ac.in; Pathak, Anirban, E-mail: anirban.pathak@gmail.com

Tomograms are obtained as probability distributions and are used to reconstruct a quantum state from experimentally measured values. We study the evolution of tomograms for different quantum systems, both finite and infinite dimensional. In realistic experimental conditions, quantum states are exposed to the ambient environment and hence subject to effects like decoherence and dissipation, which are dealt with here, consistently, using the formalism of open quantum systems. This is extremely relevant from the perspective of experimental implementation and issues related to state reconstruction in quantum computation and communication. These considerations are also expected to affect the quasiprobability distribution obtained frommore » experimentally generated tomograms and nonclassicality observed from them. -- Highlights: •Tomograms are constructed for open quantum systems. •Finite and infinite dimensional quantum systems are studied. •Finite dimensional systems (phase states, single & two qubit spin states) are studied. •A dissipative harmonic oscillator is considered as an infinite dimensional system. •Both pure dephasing as well as dissipation effects are studied.« less

Surface photovoltage method extended to silicon solar cell junction

NASA Technical Reports Server (NTRS)

Wang, E. Y.; Baraona, C. R.; Brandhorst, H. W., Jr.

1974-01-01

The conventional surface photovoltage (SPV) method is extended to the measurement of the minority carrier diffusion length in diffused semiconductor junctions of the type used in a silicon solar cell. The minority carrier diffusion values obtained by the SPV method agree well with those obtained by the X-ray method. Agreement within experimental error is also obtained between the minority carrier diffusion lengths in solar cell diffusion junctions and in the same materials with n-regions removed by etching, when the SPV method was used in the measurements.

Surface Protonation at the Rutile (110) Interface: Explicit Incorporation of Solvation Structure within the Refined MUSIC Model Framework

DOE Office of Scientific and Technical Information (OSTI.GOV)

Machesky, Michael L.; Predota, M.; Wesolowski, David J

The detailed solvation structure at the (110) surface of rutile ({alpha}-TiO{sub 2}) in contact with bulk liquid water has been obtained primarily from experimentally verified classical molecular dynamics (CMD) simulations of the ab initio-optimized surface in contact with SPC/E water. The results are used to explicitly quantify H-bonding interactions, which are then used within the refined MUSIC model framework to predict surface oxygen protonation constants. Quantum mechanical molecular dynamics (QMD) simulations in the presence of freely dissociable water molecules produced H-bond distributions around deprotonated surface oxygens very similar to those obtained by CMD with nondissociable SPC/E water, thereby confirming thatmore » the less computationally intensive CMD simulations provide accurate H-bond information. Utilizing this H-bond information within the refined MUSIC model, along with manually adjusted Ti-O surface bond lengths that are nonetheless within 0.05 {angstrom} of those obtained from static density functional theory (DFT) calculations and measured in X-ray reflectivity experiments (as well as bulk crystal values), give surface protonation constants that result in a calculated zero net proton charge pH value (pHznpc) at 25 C that agrees quantitatively with the experimentally determined value (5.4 {+-} 0.2) for a specific rutile powder dominated by the (110) crystal face. Moreover, the predicted pH{sub znpc} values agree to within 0.1 pH unit with those measured at all temperatures between 10 and 250 C. A slightly smaller manual adjustment of the DFT-derived Ti-O surface bond lengths was sufficient to bring the predicted pH{sub znpc} value of the rutile (110) surface at 25 C into quantitative agreement with the experimental value (4.8 {+-} 0.3) obtained from a polished and annealed rutile (110) single crystal surface in contact with dilute sodium nitrate solutions using second harmonic generation (SHG) intensity measurements as a function of ionic strength. Additionally, the H-bond interactions between protolyzable surface oxygen groups and water were found to be stronger than those between bulk water molecules at all temperatures investigated in our CMD simulations (25, 150 and 250 C). Comparison with the protonation scheme previously determined for the (110) surface of isostructural cassiterite ({alpha}-SnO{sub 2}) reveals that the greater extent of H-bonding on the latter surface, and in particular between water and the terminal hydroxyl group (Sn-OH) results in the predicted protonation constant for that group being lower than for the bridged oxygen (Sn-O-Sn), while the reverse is true for the rutile (110) surface. These results demonstrate the importance of H-bond structure in dictating surface protonation behavior, and that explicit use of this solvation structure within the refined MUSIC model framework results in predicted surface protonation constants that are also consistent with a variety of other experimental and computational data.« less

The Easy Way of Finding Parameters in IBM (EWofFP-IBM)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Turkan, Nureddin

E2/M1 multipole mixing ratios of even-even nuclei in transitional region can be calculated as soon as B(E2) and B(M1) values by using the PHINT and/or NP-BOS codes. The correct calculations of energies must be obtained to produce such calculations. Also, the correct parameter values are needed to calculate the energies. The logic of the codes is based on the mathematical and physical Statements describing interacting boson model (IBM) which is one of the model of nuclear structure physics. Here, the big problem is to find the best fitted parameters values of the model. So, by using the Easy Way ofmore » Finding Parameters in IBM (EWofFP-IBM), the best parameter values of IBM Hamiltonian for {sup 102-110}Pd and {sup 102-110}Ru isotopes were firstly obtained and then the energies were calculated. At the end, it was seen that the calculated results are in good agreement with the experimental ones. In addition, it was carried out that the presented energy values obtained by using the EWofFP-IBM are dominantly better than the previous theoretical data.« less

Experimental study of the oscillation of spheres in an acoustic levitator.

PubMed

Andrade, Marco A B; Pérez, Nicolás; Adamowski, Julio C

2014-10-01

The spontaneous oscillation of solid spheres in a single-axis acoustic levitator is experimentally investigated by using a high speed camera to record the position of the levitated sphere as a function of time. The oscillations in the axial and radial directions are systematically studied by changing the sphere density and the acoustic pressure amplitude. In order to interpret the experimental results, a simple model based on a spring-mass system is applied in the analysis of the sphere oscillatory behavior. This model requires the knowledge of the acoustic pressure distribution, which was obtained numerically by using a linear finite element method (FEM). Additionally, the linear acoustic pressure distribution obtained by FEM was compared with that measured with a laser Doppler vibrometer. The comparison between numerical and experimental pressure distributions shows good agreement for low values of pressure amplitude. When the pressure amplitude is increased, the acoustic pressure distribution becomes nonlinear, producing harmonics of the fundamental frequency. The experimental results of the spheres oscillations for low pressure amplitudes are consistent with the results predicted by the simple model based on a spring-mass system.

Paraboloid Structured Silicon Surface for Enhanced Light Absorption: Experimental and Simulative Investigations

NASA Astrophysics Data System (ADS)

Khan, Firoz; Baek, Seong-Ho; Kaur, Jasmeet; Fareed, Imran; Mobin, Abdul; Kim, Jae Hyun

2015-09-01

In this paper, we present an optical model that simulates the light trapping and scattering effects of a paraboloid texture surface first time. This model was experimentally verified by measuring the reflectance values of the periodically textured silicon (Si) surface with the shape of a paraboloid under different conditions. A paraboloid texture surface was obtained by electrochemical etching Si in the solution of hydrofluoric acid, dimethylsulfoxide (DMSO), and deionized (DI) water. The paraboloid texture surface has the advantage of giving a lower reflectance value than the hemispherical, random pyramidal, and regular pyramidal texture surfaces. In the case of parabola, the light can be concentrated in the direction of the Si surface compared to the hemispherical, random pyramidal, and regular pyramidal textured surfaces. Furthermore, in a paraboloid textured surface, there can be a maximum value of 4 or even more by anisotropic etching duration compared to the hemispherical or pyramidal textured surfaces which have a maximum h/ D (depth and diameter of the texture) value of 0.5. The reflectance values were found to be strongly dependent on the h/ D ratio of the texture surface. The measured reflectance values were well matched with the simulated ones. The minimum reflectance value of ~4 % was obtained at a wavelength of 600 nm for an h/ D ratio of 3.75. The simulation results showed that the reflectance value for the h/ D ratio can be reduced to ~0.5 % by reducing the separations among the textures. This periodic paraboloidal structure can be applied to the surface texturing technique by substituting with a conventional pyramid textured surface or moth-eye antireflection coating.

Experimental Study of Axially Tension Cold Formed Steel Channel Members

NASA Astrophysics Data System (ADS)

Apriani, Widya; Lubis, Fadrizal; Angraini, Muthia

2017-12-01

Experimental testing is commonly used as one of the steps to determine the cause of the collapse of a building structure. The collapse of structures can be due to low quality materials. Although material samples have passed laboratory tests and the existing technical specifications have been met but there may be undetected defects and known material after failure. In this paper will be presented Experimental Testing of Axially Tension Cold Formed Steel Channel Members to determine the cause of the collapse of a building roof truss x in Pekanbaru. Test of tensile strength material cold formed channel sections was performed to obtain the main characteristics of Cold Formed steel material, namely ultimate tensile strength loads that can be held by members and the yield stress possessed by channel sections used in construction. Analysis of axially tension cold formed steel channel section presents in this paper was conducted through experimental study based on specificationsAnnualBook of ASTM Standards: Metal Test methods and Analitical Procedures, Section 3 (1991). The result of capacity loads experimental test was compared with design based on SNI 03-7971-2013standard of Indonesia for the design of cold formed steel structural members. The results of the yield stress of the material will be seen against the minimum allowable allowable stress range. After the test, the percentace of ultimate axial tension capacity theory has a result that is 16.46% larger than the ultimate axial tension capacity experimental. When compared with the load that must be borne 5.673 kN/m it can be concluded that 2 specimens do not meet. Yield stress of member has fulfilled requirement that wass bigger than 550 MPa. Based on the curve obtained ultimate axial tension capacity theory, results greater than experimental. The greatest voltage value (fu) is achieved under the same conditions as its yield stress. For this specimen with a melting voltage value fy = 571.5068 MPa has fulfilled the minimum melting point value of 550 MPa required for standard mild steel materials in accordance with the code SNI 03-7971-2013 about Cold formed steel.

Experimental Study of Axially Tension Cold Formed Steel Channel Members

NASA Astrophysics Data System (ADS)

Apriani, Widya; Lubis, Fadrizal; Angraini, Muthia

2017-12-01

Experimental testing is commonly used as one of the steps to determine the cause of the collapse of a building structure. The collapse of structures can be due to low quality materials. Although material samples have passed laboratory tests and the existing technical specifications have been met but there may be undetected defects and known material after failure. In this paper will be presented Experimental Testing of Axially Tension Cold Formed Steel Channel Members to determine the cause of the collapse of a building roof truss x in Pekanbaru. Test of tensile strength material cold formed channel sections was performed to obtain the main characteristics of Cold Formed steel material, namely ultimate tensile strength loads that can be held by members and the yield stress possessed by channel sections used in construction. Analysis of axially tension cold formed steel channel section presents in this paper was conducted through experimental study based on specificationsAnnualBook of ASTM Standards: Metal Test methods and Analitical Procedures, Section 3 (1991). The result of capacity loads experimental test was compared with design based on SNI 03-7971- 2013standard of Indonesia for the design of cold formed steel structural members. The results of the yield stress of the material will be seen against the minimum allowable allowable stress range. After the test, the percentace of ultimate axial tension capacity theory has a result that is 16.46% larger than the ultimate axial tension capacity experimental. When compared with the load that must be borne 5.673 kN/m it can be concluded that 2 specimens do not meet. Yield stress of member has fulfilled requirement that wass bigger than 550 MPa. Based on the curve obtained ultimate axial tension capacity theory, results greater than experimental. The greatest voltage value (fu) is achieved under the same conditions as its yield stress. For this specimen with a melting voltage value fy = 571.5068 MPa has fulfilled the minimum melting point value of 550 MPa required for standard mild steel materials in accordance with the code SNI 03- 7971-2013 about Cold formed steel.

On the precision of experimentally determined protein folding rates and φ-values

PubMed Central

De Los Rios, Miguel A.; Muralidhara, B.K.; Wildes, David; Sosnick, Tobin R.; Marqusee, Susan; Wittung-Stafshede, Pernilla; Plaxco, Kevin W.; Ruczinski, Ingo

2006-01-01

φ-Values, a relatively direct probe of transition-state structure, are an important benchmark in both experimental and theoretical studies of protein folding. Recently, however, significant controversy has emerged regarding the reliability with which φ-values can be determined experimentally: Because φ is a ratio of differences between experimental observables it is extremely sensitive to errors in those observations when the differences are small. Here we address this issue directly by performing blind, replicate measurements in three laboratories. By monitoring within- and between-laboratory variability, we have determined the precision with which folding rates and φ-values are measured using generally accepted laboratory practices and under conditions typical of our laboratories. We find that, unless the change in free energy associated with the probing mutation is quite large, the precision of φ-values is relatively poor when determined using rates extrapolated to the absence of denaturant. In contrast, when we employ rates estimated at nonzero denaturant concentrations or assume that the slopes of the chevron arms (mf and mu) are invariant upon mutation, the precision of our estimates of φ is significantly improved. Nevertheless, the reproducibility we thus obtain still compares poorly with the confidence intervals typically reported in the literature. This discrepancy appears to arise due to differences in how precision is calculated, the dependence of precision on the number of data points employed in defining a chevron, and interlaboratory sources of variability that may have been largely ignored in the prior literature. PMID:16501226

Comparison of Caplan's irreversible thermodynamic theory of muscle contraction with chemical data.

PubMed

Bornhorst, W J; Minardi, J E

1969-05-01

Recently Caplan (1) applied the concepts of irreversible thermodynamics and cybernetics to contracting muscle and derived Hill's force-velocity relation. Wilkie and Woledge (2) then compared Caplan's theory to chemical rates inferred from heat data and concluded that the theory was not consistent with the data. Caplan defended his theory in later papers (3, 4) but without any direct experimental verifications. As Wilkie and Woledge (2) point out, the rate of phosphorylcreatine (PC) breakdown during steady states of shortening has not been observed because of technical difficulties. In this paper it is shown that the rate equations may be directly integrated with time to obtain relations among actual quantities instead of rates. The validity of this integration is based on experimental evidence which indicates that certain combinations of the transport coefficients are constant with muscle length. These equations are then directly compared to experimental data of Cain, Infante, and Davies (5) with the following conclusions: (a) The measured variations of DeltaPC for isotonic contractions are almost exactly as predicted by Caplan's theory. (b) The value of the chemical rate ratio, nu(m)/nu(o), obtained from these data was 3.53 which is close to the value of 3 suggested by Caplan (3). (c) The maximum value of the chemical affinity for PC splitting was found to be 10.6 k cal/mole which is as expected from in vitro measurements (2). Because of the excellent agreement between theory and experiment, we conclude that Caplan's theory definitely warrants further investigation.

Experimental and Theoretical Studies on the Viscosity-Structure Correlation for High Alumina-Silicate Melts

NASA Astrophysics Data System (ADS)

Talapaneni, Trinath; Yedla, Natraj; Pal, Snehanshu; Sarkar, Smarajit

2017-06-01

Blast furnaces are encountering high Alumina (Al2O3 > 25 pct) in the final slag due to the charging of low-grade ores. To study the viscosity behavior of such high alumina slags, synthetic slags are prepared in the laboratory scale by maintaining a chemical composition of Al2O3 (25 to 30 wt pct) CaO/SiO2 ratio (0.8 to 1.6) and MgO (8 to 16 wt pct). A chemical thermodynamic software FactSage 7.0 is used to predict liquidus temperature and viscosity of the above slags. Experimental viscosity measurements are performed above the liquidus temperature in the range of 1748 K to 1848 K (1475 °C to 1575 °C). The viscosity values obtained from FactSage closely fit with the experimental values. The viscosity and the slag structure properties are intent by Fourier Transform Infrared (FTIR) and Raman spectroscopy. It is observed that increase in CaO/SiO2 ratio and MgO content in the slag depolymerizes the silicate structure. This leads to decrease in viscosity and activation energy (167 to 149 kJ/mol) of the slag. Also, an addition of Al2O3 content increases the viscosity of slag by polymerization of alumino-silicate structure and activation energy from 154 to 161 kJ/mol. It is witnessed that the activation energy values obtained from experiment closely fit with the Shankar model based on Arrhenius equation.

Validations of calibration-free measurements of electron temperature using double-pass Thomson scattering diagnostics from theoretical and experimental aspects.

PubMed

Tojo, H; Yamada, I; Yasuhara, R; Ejiri, A; Hiratsuka, J; Togashi, H; Yatsuka, E; Hatae, T; Funaba, H; Hayashi, H; Takase, Y; Itami, K

2016-09-01

This paper evaluates the accuracy of electron temperature measurements and relative transmissivities of double-pass Thomson scattering diagnostics. The electron temperature (T e ) is obtained from the ratio of signals from a double-pass scattering system, then relative transmissivities are calculated from the measured T e and intensity of the signals. How accurate the values are depends on the electron temperature (T e ) and scattering angle (θ), and therefore the accuracy of the values was evaluated experimentally using the Large Helical Device (LHD) and the Tokyo spherical tokamak-2 (TST-2). Analyzing the data from the TST-2 indicates that a high T e and a large scattering angle (θ) yield accurate values. Indeed, the errors for scattering angle θ = 135° are approximately half of those for θ = 115°. The method of determining the T e in a wide T e range spanning over two orders of magnitude (0.01-1.5 keV) was validated using the experimental results of the LHD and TST-2. A simple method to provide relative transmissivities, which include inputs from collection optics, vacuum window, optical fibers, and polychromators, is also presented. The relative errors were less than approximately 10%. Numerical simulations also indicate that the T e measurements are valid under harsh radiation conditions. This method to obtain T e can be considered for the design of Thomson scattering systems where there is high-performance plasma that generates harsh radiation environments.

Mechanical behavior of regular open-cell porous biomaterials made of diamond lattice unit cells.

PubMed

Ahmadi, S M; Campoli, G; Amin Yavari, S; Sajadi, B; Wauthle, R; Schrooten, J; Weinans, H; Zadpoor, A A

2014-06-01

Cellular structures with highly controlled micro-architectures are promising materials for orthopedic applications that require bone-substituting biomaterials or implants. The availability of additive manufacturing techniques has enabled manufacturing of biomaterials made of one or multiple types of unit cells. The diamond lattice unit cell is one of the relatively new types of unit cells that are used in manufacturing of regular porous biomaterials. As opposed to many other types of unit cells, there is currently no analytical solution that could be used for prediction of the mechanical properties of cellular structures made of the diamond lattice unit cells. In this paper, we present new analytical solutions and closed-form relationships for predicting the elastic modulus, Poisson׳s ratio, critical buckling load, and yield (plateau) stress of cellular structures made of the diamond lattice unit cell. The mechanical properties predicted using the analytical solutions are compared with those obtained using finite element models. A number of solid and porous titanium (Ti6Al4V) specimens were manufactured using selective laser melting. A series of experiments were then performed to determine the mechanical properties of the matrix material and cellular structures. The experimentally measured mechanical properties were compared with those obtained using analytical solutions and finite element (FE) models. It has been shown that, for small apparent density values, the mechanical properties obtained using analytical and numerical solutions are in agreement with each other and with experimental observations. The properties estimated using an analytical solution based on the Euler-Bernoulli theory markedly deviated from experimental results for large apparent density values. The mechanical properties estimated using FE models and another analytical solution based on the Timoshenko beam theory better matched the experimental observations. Copyright © 2014 Elsevier Ltd. All rights reserved.

Lee-side flow over delta wings at supersonic speeds

NASA Technical Reports Server (NTRS)

Miller, D. S.; Wood, R. M.

1985-01-01

An experimental investigation of the lee-side flow on sharp leading-edge delta wings at supersonic speeds has been conducted. Pressure data were obtained at Mach numbers from 1.5 to 2.8, and three types of flow-visualization data (oil-flow, tuft, and vapor-screen) were obtained at Mach numbers from 1.7 to 2.8 for wing leading-edge sweep angles from 52.5 deg to 75 deg. From the flow-visualization data, the lee-side flows were classified into seven distinct types and a chart was developed that defines the flow mechanism as a function of the conditions normal to the wing leading edge, specifically, angle of attack and Mach number. Pressure data obtained experimentally and by a semiempirical prediction method were employed to investigate the effects of angle of attack, leading-edge sweep, and Mach number on vortex strength and vortex position. In general, the predicted and measured values of vortex-induced normal force and vortex position obtained from experimental data have the same trends with angle of attack, Mach number, and leading-edge sweep; however, the vortex-induced normal force is underpredicted by 15 to 30 percent, and the vortex spanwise location is overpredicted by approximately 15 percent.

Mechanistic equivalent circuit modelling of a commercial polymer electrolyte membrane fuel cell

NASA Astrophysics Data System (ADS)

Giner-Sanz, J. J.; Ortega, E. M.; Pérez-Herranz, V.

2018-03-01

Electrochemical impedance spectroscopy (EIS) has been widely used in the fuel cell field since it allows deconvolving the different physic-chemical processes that affect the fuel cell performance. Typically, EIS spectra are modelled using electric equivalent circuits. In this work, EIS spectra of an individual cell of a commercial PEM fuel cell stack were obtained experimentally. The goal was to obtain a mechanistic electric equivalent circuit in order to model the experimental EIS spectra. A mechanistic electric equivalent circuit is a semiempirical modelling technique which is based on obtaining an equivalent circuit that does not only correctly fit the experimental spectra, but which elements have a mechanistic physical meaning. In order to obtain the aforementioned electric equivalent circuit, 12 different models with defined physical meanings were proposed. These equivalent circuits were fitted to the obtained EIS spectra. A 2 step selection process was performed. In the first step, a group of 4 circuits were preselected out of the initial list of 12, based on general fitting indicators as the determination coefficient and the fitted parameter uncertainty. In the second step, one of the 4 preselected circuits was selected on account of the consistency of the fitted parameter values with the physical meaning of each parameter.

Gradient retention prediction of acid-base analytes in reversed phase liquid chromatography: a simplified approach for acetonitrile-water mobile phases.

PubMed

Andrés, Axel; Rosés, Martí; Bosch, Elisabeth

2014-11-28

In previous work, a two-parameter model to predict chromatographic retention of ionizable analytes in gradient mode was proposed. However, the procedure required some previous experimental work to get a suitable description of the pKa change with the mobile phase composition. In the present study this previous experimental work has been simplified. The analyte pKa values have been calculated through equations whose coefficients vary depending on their functional group. Forced by this new approach, other simplifications regarding the retention of the totally neutral and totally ionized species also had to be performed. After the simplifications were applied, new prediction values were obtained and compared with the previously acquired experimental data. The simplified model gave pretty good predictions while saving a significant amount of time and resources. Copyright © 2014 Elsevier B.V. All rights reserved.

Heat transfer to horizontal tubes in a pilot-scale fluidized-bed combustor burning low-rank coals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grewal, N.S.; Goblirsch, G.

Experimental data are obtained for the heat transfer coefficient between immersed horizontal tube bundles and an atmospheric-fluidized-bed combustor burning low-rank coals. Silica sand and limestone are used as bed material. The tests are conducted, with and without limestone addition and ash recycle, at average bed temperatures ranging from 1047 to 1125 K, superficial fluidizing velocity of 1.66 to 2.04 m/s, and excess air levels of 15 to 40 percent. The experimental data are examined in the light of the existing correlations for the heat transfer coefficient. The predicted values of heat transfer coefficient from the correlations proposed by Grewal andmore » Bansal et al. are found to be within + or - 25 percent of the experimental values of heat transfer coefficient, when the contribution due to radiation is also included.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moyotl, A.; Rosado, A.; Tavares-Velasco, G.

The magnetic dipole moment and the electric dipole moment of leptons are calculated under the assumption of lepton flavor violation (LFV) induced by spin-1 unparticles with both vector and axial-vector couplings to leptons, including a CP-violating phase. The experimental limits on the muon magnetic dipole moment and LFV process, such as the decay l{sub i}{sup -}{yields}l{sub j}{sup -}l{sub k}{sup -}l{sub k}{sup +}, are then used to constrain the LFV couplings for particular values of the unparticle operator dimension d{sub U} and the unparticle scale {Lambda}{sub U}, assuming that LFV transitions between the tau and muon leptons are dominant. It ismore » found that the current experimental constraints favor a scenario with dominance of the vector couplings over the axial-vector couplings. We also obtain estimates for the electric dipole moments of the electron and the muon, which are well below the experimental values.« less

FLUID: A numerical interpolation procedure for obtaining thermodynamic and transport properties of fluids

NASA Technical Reports Server (NTRS)

Fessler, T. E.

1977-01-01

A computer program subroutine, FLUID, was developed to calculate thermodynamic and transport properties of pure fluid substances. It provides for determining the thermodynamic state from assigned values for temperature-density, pressure-density, temperature-pressure, pressure-entropy, or pressure-enthalpy. Liquid or two-phase (liquid-gas) conditions are considered as well as the gas phase. A van der Waals model is used to obtain approximate state values; these values are then corrected for real gas effects by model-correction factors obtained from tables based on experimental data. Saturation conditions, specific heat, entropy, and enthalpy data are included in the tables for each gas. Since these tables are external to the FLUID subroutine itself, FLUID can implement any gas for which a set of tables has been generated. (A setup phase is used to establish pointers dynamically to the tables for a specific gas.) Data-table preparation is described. FLUID is available in both SFTRAN and FORTRAN

Spatial Control of Photoacid Diffusion in Chemically Amplified Resist (CAR) via External Electric Field.

PubMed

Kim, Jinok; Yoo, Gwangwe; Park, Jin; Park, Jin-Hong

2018-09-01

We investigated the effect of an electric field-based post exposure bake (EF-PEB) process on photoacid diffusion and pattern formation. To investigate the control of photoacid diffusion experimentally, the EF-PEB processes was performed at various temperatures. Cross sectional images of various EF-PEB processed samples were obtained by scanning electron microscopy (SEM) after ion beam milling. In addition, we conducted a numerical analysis of photoacid distribution and diffusion with following Fick's second law and compared the experimental results with our theoretical model. The drift distance was theoretically predicted by multiplying drift velocity and EF-PEB time, and the experimental values were obtained by finding the difference in pattern depths of PEB/EFPEB samples. Finally, an EF-PEB temperature of 85 °C was confirmed as the optimum condition to maximize photoacid drift distance using the electric field.

Experimental Surface Pressure Data Obtained on 65 deg Delta Wing Across Reynolds Number and Mach Number Ranges. Volume 2; Small-Radius Leading Edge

NASA Technical Reports Server (NTRS)

Chu, Julio; Luckring, James M.

1996-01-01

An experimental wind tunnel test of a 65 deg. delta wing model with interchangeable leading edges was conducted in the Langley National Transonic Facility (NTF). The objective was to investigate the effects of Reynolds and Mach numbers on slender-wing leading-edge vortex flows with four values of wing leading-edge bluntness. Experimentally obtained pressure data are presented without analysis in tabulated and graphical formats across a Reynolds number range of 6 x 10(exp 6) to 84 x 10(exp 6) at a Mach number of 0.85 and across a Mach number range of 0.4 to 0.9 at Reynolds numbers of 6 x 10(exp 6) and 60 x 10(exp 6). Normal-force and pitching-moment coefficient plots for these Reynolds number and Mach number ranges are also presented.

Experimental Surface Pressure Data Obtained on 65 deg Delta Wing Across Reynolds Number and Mach Number Ranges. Vol. 4: Large-radius leading edge

NASA Technical Reports Server (NTRS)

Chu, Julio; Luckring, James M.

1996-01-01

An experimental wind tunnel test of a 65 deg delta wing model with interchangeable leading edges was conducted in the Langley National Transonic Facility (NTF). The objective was to investigate the effects of Reynolds and Mach numbers on slender-wing leading-edge vortex flows with four values of wing leading-edge bluntness. Experimentally obtained pressure data are presented without analysis in tabulated and graphical formats across a Reynolds number range of 6 x 10(exp 6) to 120 x 10(exp 6) at a Mach number of 0.85 and across a Mach number range of 0.4 to 0.9 at Reynolds numbers of 6 x 10(exp 6) and 60 x 10(exp 6). Normal-force and pitching-moment coefficient plots for these Reynolds number and Mach number ranges are also presented.

Experimental Surface Pressure Data Obtained on 65 deg Delta Wing Across Reynolds Number and Mach Number Ranges. Vol. 3: Medium-radius leading edge

NASA Technical Reports Server (NTRS)

Chu, Julio; Luckring, James M.

1996-01-01

An experimental wind tunnel test of a 65 deg delta wing model with interchangeable leading edges was conducted in the Langley National Transonic Facility (NTF). The objective was to investigate the effects of Reynolds and Mach numbers on slender-wing leading-edge vortex flows with four values of wing leading-edge bluntness. Experimentally obtained pressure data are presented without analysis in tabulated and graphical formats across a Reynolds number range of 6 x 10(exp 6) to 120 x 10(exp 6) at a Mach number of 0.85 and across a Mach number range of 0.4 to 0.9 at Reynolds numbers of 6 x 10(exp 6), 60 x 10(exp 6), and 120 x 10(exp 6). Normal-force and pitching-moment coefficient plots for these Reynolds number and Mach number ranges are also presented.

Experimental Surface Pressure Data Obtained on 65 deg Delta Wing Across Reynolds Number and Mach Number Ranges. Volume 1; Sharp Leading Edge; [conducted in the Langley National Transonic Facility (NTF)

NASA Technical Reports Server (NTRS)

Chu, Julio; Luckring, James M.

1996-01-01

An experimental wind tunnel test of a 65 deg delta wing model with interchangeable leading edges was conducted in the Langley National Transonic Facility (NTF). The objective was to investigate the effects of Reynolds and Mach numbers on slender-wing leading-edge vortex flows with four values of wing leading-edge bluntness. Experimentally obtained pressure data are presented without analysis in tabulated and graphical formats across a Reynolds number range of 6 x 10(exp 6) to 36 x 10(exp 6) at a Mach number of 0.85 and across a Mach number range of 0.4 to 0.9 at a Reynolds number of 6 x 10(exp 6). Normal-force and pitching-moment coefficient plots for these Reynolds number and Mach number ranges are also presented.

A new mathematical approach for the estimation of the AUC and its variability under different experimental designs in preclinical studies.

PubMed

Navarro-Fontestad, Carmen; González-Álvarez, Isabel; Fernández-Teruel, Carlos; Bermejo, Marival; Casabó, Vicente Germán

2012-01-01

The aim of the present work was to develop a new mathematical method for estimating the area under the curve (AUC) and its variability that could be applied in different preclinical experimental designs and amenable to be implemented in standard calculation worksheets. In order to assess the usefulness of the new approach, different experimental scenarios were studied and the results were compared with those obtained with commonly used software: WinNonlin® and Phoenix WinNonlin®. The results do not show statistical differences among the AUC values obtained by both procedures, but the new method appears to be a better estimator of the AUC standard error, measured as the coverage of 95% confidence interval. In this way, the new proposed method demonstrates to be as useful as WinNonlin® software when it was applicable. Copyright © 2011 John Wiley & Sons, Ltd.

Proximate analyses and predicting HHV of chars obtained from cocracking of petroleum vacuum residue with coal, plastics and biomass.

PubMed

Ahmaruzzaman, M

2008-07-01

Higher heating value (HHV) and analysis of chars obtained from cocracking of petroleum vacuum residue (XVR) with coal (SC), biomass (BG, CL) and plastics (PP, PS, BL) are important which define the energy content and determine the clean and efficient use of these chars. The main aim of the present study is to analyze the char obtained from cocracking in terms of their proximate analysis data and determination of the HHV of the chars. The char obtained from XVR+PP cocracking showed a HHV of 32.84 MJ/kg, whereas that from CL cracking showed a HHV of 18.52 MJ/kg. The experimentally determined heating values of the char samples obtained from cocracking have been correlated with the theoretical equation based on proximate analysis data. There exists a variety of correlations for predicting HHV from proximate analysis of fuels. Based upon proximate analysis data, the models were tested. The best results show coefficient of determination (R2) of 0.965 and average absolute and bias error of 3.07% and 0.41%, respectively. The heating values obtained from the model were in good agreement with that obtained by experiment. Proximate analysis of the chars obtained from the cocracking of XVR with coal, biomass and plastics showed that there exists a definite interaction of the reactive species, when they were cocracked together.

Electric dipole hyperfine structure of TIF

NASA Astrophysics Data System (ADS)

Hinds, Edward A.; Sandars, P. G. H.

1980-02-01

The authors have calculated the electric dipole interaction energy of the 205TI nucleus in TIF assuming a nonzero electric dipole moment dp on the proton. The result is used in the accompanying experimental paper to obtain a new value of (-1.4+/-6)×10-21 e cm for dp.

Adaptive Ambient Illumination Based on Color Harmony Model

NASA Astrophysics Data System (ADS)

Kikuchi, Ayano; Hirai, Keita; Nakaguchi, Toshiya; Tsumura, Norimichi; Miyake, Yoichi

We investigated the relationship between ambient illumination and psychological effect by applying a modified color harmony model. We verified the proposed model by analyzing correlation between psychological value and modified color harmony score. Experimental results showed the possibility to obtain the best color for illumination using this model.

Photometric method for determination of acidity constants through integral spectra analysis

NASA Astrophysics Data System (ADS)

Zevatskiy, Yuriy Eduardovich; Ruzanov, Daniil Olegovich; Samoylov, Denis Vladimirovich

2015-04-01

An express method for determination of acidity constants of organic acids, based on the analysis of the integral transmittance vs. pH dependence is developed. The integral value is registered as a photocurrent of photometric device simultaneously with potentiometric titration. The proposed method allows to obtain pKa using only simple and low-cost instrumentation. The optical part of the experimental setup has been optimized through the exclusion of the monochromator device. Thus it only takes 10-15 min to obtain one pKa value with the absolute error of less than 0.15 pH units. Application limitations and reliability of the method have been tested for a series of organic acids of various nature.

Reciprocal relations for transmission coefficients - Theory and application

NASA Technical Reports Server (NTRS)

Qu, Jianmin; Achenbach, Jan D.; Roberts, Ronald A.

1989-01-01

The authors present a rigorous proof of certain intuitively plausible reciprocal relations for time harmonic plane-wave transmission and reflection at the interface between a fluid and an anisotropic elastic solid. Precise forms of the reciprocity relations for the transmission coefficients and for the transmitted energy fluxes are derived, based on the reciprocity theorem of elastodynamics. It is shown that the reciprocity relations can be used in conjunction with measured values of peak amplitudes for transmission through a slab of the solid (water-solid-water) to obtain the water-solid coefficients. Experiments were performed for a slab of a unidirectional fiber-reinforced composite. Good agreement of the experimentally measured transmission coefficients with theoretical values was obtained.

A novel real-time data acquisition using an Excel spreadsheet in pendulum experiment tool with light-based timer

NASA Astrophysics Data System (ADS)

Adhitama, Egy; Fauzi, Ahmad

2018-05-01

In this study, a pendulum experimental tool with a light-based timer has been developed to measure the period of a simple pendulum. The obtained data was automatically recorded in an Excel spreadsheet. The intensity of monochromatic light, sensed by a 3DU5C phototransistor, dynamically changes as the pendulum swings. The changed intensity varies the resistance value and was processed by the microcontroller, ATMega328, to obtain a signal period as a function of time and brightness when the pendulum crosses the light. Through the experiment, using calculated average periods, the gravitational acceleration value has been accurately and precisely determined.

Experimental and theoretical studies on vibrational spectra of 4-(2-furanylmethyleneamino)antipyrine, 4-benzylideneaminoantipyrine and 4-cinnamilideneaminoantipyrine

NASA Astrophysics Data System (ADS)

Sun, Yu-Xi; Hao, Qing-Li; Yu, Zong-Xue; Jiang, Wen-Jun; Lu, Lu-De; Wang, Xin

2009-09-01

This work deals with the IR and Raman spectroscopy of 4-(2-furanylmethyleneamino) antipyrine (FAP), 4-benzylideneaminoantipyrine (BAP) and 4-cinnamilideneaminoantipyrine (CAP) by means of experimental and quantum chemical calculations. The equilibrium geometries, harmonic frequencies, infrared intensities and Raman scattering activities were calculated by density functional B3LYP method with the 6-31G(d) basis set. The comparisons between the calculated and experimental results covering molecular structures, assignments of fundamental vibrational modes and thermodynamic properties were investigated. The optimized molecular geometries have been compared with the experimental data obtained from XRD data, which indicates that the theoretical results agree well with the corresponding experimental values. For the three compounds, comparisons and assignments of the vibrational frequencies indicate that the calculated frequencies are close to the experimental data, and the IR spectra are comparable with some slight differences, whereas the Raman spectra are different clearly and the strongest Raman scattering actives are relative tightly to the molecular conjugative moieties linked through their Schiff base imines. The thermodynamic properties (heat capacities, entropies and enthalpy changes) and their correlations with temperatures were also obtained from the harmonic frequencies of the optimized strucutres.

The hepatocyte phase of Gd-EOB-DTPA-enhanced MRI in the evaluation of hepatic fibrosis and early liver cirrhosis in a rat model: an experimental study.

PubMed

Ma, Chunmei; Liu, Ailian; Wang, Yuanyuan; Geng, Xiaoling; Hao, Li; Song, Qingwei; Sun, Bo; Wang, Heqing; Zhao, Gang

2014-07-17

To evaluate the hepatocyte phase of Gd-EOB-DTPA-enhanced MRI in the early diagnosis of hepatic fibrosis and cirrhosis and assessment of liver function in a rat model. In 2 groups of SD rats, liver fibrosis was induced in experimental animals by repetitive carbon tetrachloride injections, while the control group received saline injections. Five experimental rats and 2 control rats were randomly selected at weeks 4, 8, 12. One week after carbon tetrachloride administration, MRI (FIRM T1WI) scan was performed. Gd-EOB-DTPA (0.08mL) was injected into the rat's tail vein and hepatocyte phase images were obtained after 20min. The pre-enhanced phase and hepatocyte phase signal intensities (SI) were measured, and the relative contrast enhancement index (RCEI) was calculated. ANOVA analysis (LSD) of RCEI values in controls (n=6), hepatic fibrosis (n=7), and histopathologically-determined early cirrhosis group (n=6) was performed. RECI values showed a decreasing trend in the control group, hepatic fibrosis and early cirrhosis groups (1.11±0.43, 0.96±0.22, and 0.57±0.33, respectively). While the difference between the control and early cirrhosis groups was statistically significant (p=0.013), there was no significant difference in the hepatic fibrosis group vs the control (p=0.416) and the hepatic fibrosis group vs the early cirrhosis group (p=0.054). Hepatocyte phase RCEI values obtained with Gd-EOB-DTPA-enhanced MRI scan indicate liver injury in hepatic fibrosis and early cirrhosis. RCEI values are helpful for early diagnosis of liver cirrhosis. Copyright © 2014 Elsevier Inc. All rights reserved.

Computer Modeling of the Thermal Conductivity of Cometary Ice

NASA Technical Reports Server (NTRS)

Bunch, Theodore E.; Wilson, Michael A.; Pohorille, Andrew

1998-01-01

The thermal conductivity was found to be only weakly dependent on the microstructure of the amorphous ice. In general, the amorphous ices were found to have thermal conductivities of the same order of magnitude as liquid water. This is in contradiction to recent experimental estimates of the thermal conductivity of amorphous ice, and it is suggested that the extremely low value obtained experimentally is due to larger-scale defects in the ice, such as cracks, but is not an intrinsic property of the bulk amorphous ice.

Production of a large, quiescent, magnetized plasma

NASA Technical Reports Server (NTRS)

Landt, D. L.; Ajmera, R. C.

1976-01-01

An experimental device is described which produces a large homogeneous quiescent magnetized plasma. In this device, the plasma is created in an evacuated brass cylinder by ionizing collisions between electrons emitted from a large-diameter electron gun and argon atoms in the chamber. Typical experimentally measured values of the electron temperature and density are presented which were obtained with a glass-insulated planar Langmuir probe. It is noted that the present device facilitates the study of phenomena such as waves and diffusion in magnetized plasmas.

A study of cumulative fatigue damage in AISI 4130 steel

NASA Technical Reports Server (NTRS)

Jeelani, S.; Musial, M.

1986-01-01

Experimental data were obtained using AISI 4130 steel under stress ratios of -1 and 0. A study of cumulative fatigue damage using Miner's and Kramer's equations for stress ratios of -1 and 0 for low-high, low-high-mixed, high-low, and high-low-mixed stress sequences has revealed that there is a close agreement between the theoretical and experimental values of fatigue damage and fatigue life. Kramer's equation predicts less conservative and more realistic cumulative fatigue damage than the popularly used Miner's rule does.

Nonseparable Werner states in spontaneous parametric down-conversion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Caminati, Marco; De Martini, Francesco; Perris, Riccardo

2006-03-15

The multiphoton states generated by high-gain spontaneous parametric down-conversion (SPDC) in the presence of large losses are investigated theoretically and experimentally. The explicit form for the two-photon output state has been found to exhibit a Werner structure very resilient to losses for any value of the nonlinear gain parameter g. The theoretical results are found to be in agreement with experimental data obtained by 'entanglement witness' methods and by the quantum tomography of the state generated by a high-g SPDC.

Cavitating behaviour analysis of Darrieus-type cross flow water turbines

NASA Astrophysics Data System (ADS)

Aumelas, V.; Pellone, C.; Maître, T.

2010-08-01

The aim of this paper is to study the cavitating behaviour of bare Darrieus-type turbines. For that, the RANS code CAVKA, has been used. Under non-cavitating conditions, the power coefficient and the thrusts calculated with CAVKA are compared to experimental values obtained in the LEGI hydrodynamic tunnel. Under cavitating conditions, for several cavitation numbers, the numerical power coefficients and vapour structures are compared to experimental ones. Different blade profiles and camber lines are also studied for non-cavitating and cavitating conditions.

A dynamic-based measurement of a spring constant with a smartphone light sensor

NASA Astrophysics Data System (ADS)

Pili, Unofre

2018-05-01

An accessible smartphone-based experimental set-up for measuring a spring constant is presented. Using the smartphone ambient light sensor as the motion timer that allows for the measurement of the period of oscillations of a vertical spring-mass oscillator we found the spring constant to be 27.3 +/- 0.2 N m-1. This measurement is in a satisfactory agreement with another experimental value, 26.7 +/- 0.1 N m-1, obtained via the traditional static method.

Monte Carlo simulations of the dose from imaging with GE eXplore 120 micro-CT using GATE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bretin, Florian; Bahri, Mohamed Ali; Luxen, André

Purpose: Small animals are increasingly used as translational models in preclinical imaging studies involving microCT, during which the subjects can be exposed to large amounts of radiation. While the radiation levels are generally sublethal, studies have shown that low-level radiation can change physiological parameters in mice. In order to rule out any influence of radiation on the outcome of such experiments, or resulting deterministic effects in the subjects, the levels of radiation involved need to be addressed. The aim of this study was to investigate the radiation dose delivered by the GE eXplore 120 microCT non-invasively using Monte Carlo simulationsmore » in GATE and to compare results to previously obtained experimental values. Methods: Tungsten X-ray spectra were simulated at 70, 80, and 97 kVp using an analytical tool and their half-value layers were simulated for spectra validation against experimentally measured values of the physical X-ray tube. A Monte Carlo model of the microCT system was set up and four protocols that are regularly applied to live animal scanning were implemented. The computed tomography dose index (CTDI) inside a PMMA phantom was derived and multiple field of view acquisitions were simulated using the PMMA phantom, a representative mouse and rat. Results: Simulated half-value layers agreed with experimentally obtained results within a 7% error window. The CTDI ranged from 20 to 56 mGy and closely matched experimental values. Derived organ doses in mice reached 459 mGy in bones and up to 200 mGy in soft tissue organs using the highest energy protocol. Dose levels in rats were lower due to the increased mass of the animal compared to mice. The uncertainty of all dose simulations was below 14%. Conclusions: Monte Carlo simulations proved a valuable tool to investigate the 3D dose distribution in animals from microCT. Small animals, especially mice (due to their small volume), receive large amounts of radiation from the GE eXplore 120 microCT, which might alter physiological parameters in a longitudinal study setup.« less

FIB preparation of a NiO Wedge-Lamella and STEM X-ray microanalysis for the determination of the experimental k(O-Ni) Cliff-Lorimer coefficient.

PubMed

Armigliato, Aldo; Frabboni, Stefano; Gazzadi, Gian Carlo; Rosa, Rodolfo

2013-02-01

A method for the fabrication of a wedge-shaped thin NiO lamella by focused ion beam is reported. The starting sample is an oxidized bulk single crystalline, <100> oriented, Ni commercial standard. The lamella is employed for the determination, by analytical electron microscopy at 200 kV of the experimental k(O-Ni) Cliff-Lorimer (G. Cliff & G.W. Lorimer, J Microsc 103, 203-207, 1975) coefficient, according to the extrapolation method by Van Cappellen (E. Van Cappellen, Microsc Microstruct Microanal 1, 1-22, 1990). The result thus obtained is compared to the theoretical k(O-Ni) values either implemented into the commercial software for X-ray microanalysis quantification of the scanning transmission electron microscopy/energy dispersive spectrometry equipment or calculated by the Monte Carlo method. Significant differences among the three values are found. This confirms that for a reliable quantification of binary alloys containing light elements, the choice of the Cliff-Lorimer coefficients is crucial and experimental values are recommended.

Estimating the Diffusion Coefficients of Sugars Using Diffusion Experiments in Agar-Gel and Computer Simulations.

PubMed

Miyamoto, Shuichi; Atsuyama, Kenji; Ekino, Keisuke; Shin, Takashi

2018-01-01

The isolation of useful microbes is one of the traditional approaches for the lead generation in drug discovery. As an effective technique for microbe isolation, we recently developed a multidimensional diffusion-based gradient culture system of microbes. In order to enhance the utility of the system, it is favorable to have diffusion coefficients of nutrients such as sugars in the culture medium beforehand. We have, therefore, built a simple and convenient experimental system that uses agar-gel to observe diffusion. Next, we performed computer simulations-based on random-walk concepts-of the experimental diffusion system and derived correlation formulas that relate observable diffusion data to diffusion coefficients. Finally, we applied these correlation formulas to our experimentally-determined diffusion data to estimate the diffusion coefficients of sugars. Our values for these coefficients agree reasonably well with values published in the literature. The effectiveness of our simple technique, which has elucidated the diffusion coefficients of some molecules which are rarely reported (e.g., galactose, trehalose, and glycerol) is demonstrated by the strong correspondence between the literature values and those obtained in our experiments.

Micromechanical Analysis of Crack Closure Mechanism for Intelligent Material Containing TiNi Fibers

NASA Astrophysics Data System (ADS)

Araki, Shigetoshi; Ono, Hiroyuki; Saito, Kenji

In our previous study, the micromechanical modeling of an intelligent material containing TiNi fibers was performed and the stress intensity factor KI at the tip of the crack in the material was expressed in terms of the magnitude of the shape memory shrinkage of the fibers and the thermal expansion strain in the material. In this study, the value of KI at the tip of the crack in the TiNi/epoxy material is calculated numerically by using analytical expressions obtained in our first report. As a result, we find that the KI value decreases with increasing shrink strain of the fibers, and this tendency agrees with that of the experimental result obtained by Shimamoto etal.(Trans. Jpn. Soc. Mech. Eng., Vol. 65, No. 634 (1999), pp. 1282-1286). Moreover, there exists an optimal value of the shrink strain of the fibers to make the KI value zero. The change in KI with temperature during the heating process from the reference temperature to the inverse austenitic finishing temperature of TiNi fiber is also consistent with the experimental result. These results can be explained by the changes in the shrink strain, the thermal expansion strain, and the elastic moduli of TiNi fiber with temperature. These results may be useful in designing intelligent materials containing TiNi fibers from the viewpoint of crack closure.

Coarse-Grain Molecular Dynamics Simulations To Investigate the Bulk Viscosity and Critical Micelle Concentration of the Ionic Surfactant Sodium Dodecyl Sulfate (SDS) in Aqueous Solution.

PubMed

Ruiz-Morales, Yosadara; Romero-Martínez, Ascención

2018-04-12

The first critical micelle concentration (CMC) of the ionic surfactant sodium dodecyl sulfate (SDS) in diluted aqueous solution has been determined at room temperature from the investigation of the bulk viscosity, at several concentrations of SDS, by means of coarse-grain molecular dynamics simulations. The coarse-grained model molecules at the mesoscale level are adopted. The bulk viscosity of SDS was calculated at several millimolar concentrations of SDS in water using the MARTINI force field by means of NVT shear Mesocite molecular dynamics. The definition of each bead in the MARTINI force field is established, as well as their radius, volume, and mass. The effect of the size of the simulation box on the obtained CMC has been investigated, as well as the effect of the number of SDS molecules, in the simulations, on the formation of aggregates. The CMC, which was obtained from a graph of the calculated viscosities versus concentration, is in good agreement with the reported experimental data and does not depend on the size of the box used in the simulation. The formation of a spherical micelle-like aggregate is observed, where the dodecyl sulfate tails point inward and the heads point outward the aggregation micelle, in accordance with experimental observations. The advantage of using coarse-grain molecular dynamics is the possibility of treating explicitly charged beads, applying a shear flow for viscosity calculation, and processing much larger spatial and temporal scales than atomistic molecular dynamics can. Furthermore, the CMC of SDS obtained with the coarse-grained model is in much better agreement with the experimental value than the value obtained with atomistic simulations.

Monte Carlo Simulation of X-Ray Spectra in Mammography and Contrast-Enhanced Digital Mammography Using the Code PENELOPE

NASA Astrophysics Data System (ADS)

Cunha, Diego M.; Tomal, Alessandra; Poletti, Martin E.

2013-04-01

In this work, the Monte Carlo (MC) code PENELOPE was employed for simulation of x-ray spectra in mammography and contrast-enhanced digital mammography (CEDM). Spectra for Mo, Rh and W anodes were obtained for tube potentials between 24-36 kV, for mammography, and between 45-49 kV, for CEDM. The spectra obtained from the simulations were analytically filtered to correspond to the anode/filter combinations usually employed in each technique (Mo/Mo, Rh/Rh and W/Rh for mammography and Mo/Cu, Rh/Cu and W/Cu for CEDM). For the Mo/Mo combination, the simulated spectra were compared with those obtained experimentally, and for spectra for the W anode, with experimental data from the literature, through comparison of distribution shape, average energies, half-value layers (HVL) and transmission curves. For all combinations evaluated, the simulated spectra were also compared with those provided by different models from the literature. Results showed that the code PENELOPE provides mammographic x-ray spectra in good agreement with those experimentally measured and those from the literature. The differences in the values of HVL ranged between 2-7%, for anode/filter combinations and tube potentials employed in mammography, and they were less than 5% for those employed in CEDM. The transmission curves for the spectra obtained also showed good agreement compared to those computed from reference spectra, with average relative differences less than 12% for mammography and CEDM. These results show that the code PENELOPE can be a useful tool to generate x-ray spectra for studies in mammography and CEDM, and also for evaluation of new x-ray tube designs and new anode materials.

The Intramolecular Hydrogen Bond N-H···S in 2,2'-Diaminodiphenyl Disulfide: Experimental and Computational Thermochemistry.

PubMed

Ramos, Fernando; Flores, Henoc; Hernández-Pérez, Julio M; Sandoval-Lira, Jacinto; Camarillo, E Adriana

2018-01-11

The intramolecular hydrogen bond of the N-H···S type has been investigated sparingly by thermochemical and computational methods. In order to study this interaction, the standard molar enthalpies of formation in gaseous phase of diphenyl disulfide, 2,2'-diaminodiphenyl disulfide and 4,4'-diaminodiphenyl disulfide at T = 298.15 K were determined by experimental thermochemical methods and computational calculations. The experimental enthalpies of formation in gas-phase were obtained from enthalpies of formation in crystalline phase and enthalpies of sublimation. Enthalpies of formation in crystalline phase were obtained using rotatory bomb combustion calorimetry. By thermogravimetry, enthalpies of vaporization were obtained, and by combining them with enthalpies of fusion, the enthalpies of sublimation were calculated. The Gaussian-4 procedure and the atomization method were applied to obtain enthalpies of formation in gas-phase of the compounds under study. Theoretical and experimental values are in good agreement. Through natural bond orbital (NBO) analysis and a topological analysis of the electronic density, the intramolecular hydrogen bridge (N-H···S) in the 2,2'-diaminodiphenyl disulfide was confirmed. Finally, an enthalpic difference of 11.8 kJ·mol -1 between the 2,2'-diaminodiphenyl disulfide and 4,4'-diaminodiphenyl disulfide was found, which is attributed to the intramolecular N-H···S interaction.

Shock tube measurements of growth constants in the branched chain formaldehyde-carbon monoxide-oxygen system

NASA Technical Reports Server (NTRS)

Brabbs, T. A.; Brokaw, R. S.

1982-01-01

Exponential free radical growth constants were measured for formaldehyde carbon monoxide-oxygen systems by monitoring the growth of oxygen atom concentration as manifested by CO flame band emission. Data were obtained over the temperature range of 1200 to 2000 K. The data were analyzed using a formaldehyde oxidation mechanism involving 12 elementary reaction steps. The computed growth constants are roughly in accord with experimental values, but are much more temperature dependent. The data was also analyzed assuming formaldehyde is rapidly decomposed to carbon monoxide and hydrogen. Growth constants computed for the resulting carbon monoxide hydrogen oxygen mixtures have a temperature dependence similar to experiments; however, for most mixtures, the computed growth constants were larger than experimental values.

Prediction of breakdown strength of cellulosic insulating materials using artificial neural networks

NASA Astrophysics Data System (ADS)

Singh, Sakshi; Mohsin, M. M.; Masood, Aejaz

In this research work, a few sets of experiments have been performed in high voltage laboratory on various cellulosic insulating materials like diamond-dotted paper, paper phenolic sheets, cotton phenolic sheets, leatheroid, and presspaper, to measure different electrical parameters like breakdown strength, relative permittivity, loss tangent, etc. Considering the dependency of breakdown strength on other physical parameters, different Artificial Neural Network (ANN) models are proposed for the prediction of breakdown strength. The ANN model results are compared with those obtained experimentally and also with the values already predicted from an empirical relation suggested by Swanson and Dall. The reported results indicated that the breakdown strength predicted from the ANN model is in good agreement with the experimental values.

Bulk viscosity of water in acoustic modal analysis and experiment

NASA Astrophysics Data System (ADS)

Kůrečka, Jan; Habán, Vladimír; Himr, Daniel

2018-06-01

Bulk viscosity is an important factor in the damping properties of fluid systems and exhibits frequency dependent behaviour. A comparison between modal analysis in ANSYS Acoustics, custom code and experimental data is presented in this paper. The measured system consists of closed ended water-filled steel pipes of different lengths. The influence of a pipe wall, flanges on both ends and longitudinal waves in the structural part were included in measurement evaluation. Therefore, the obtained values of sound speed and bulk viscosity are parameters of the fluid. A numerical simulation was carried out only using fluid volume in a range of bulk viscosity. Damping characteristics in this range were compared to measured values. The results show a significant influence of sound speed and subsequently, the use of sound speed value regressed from experimental data yields a better fit between the measurement and the computation.

Mechanical Degradation of Graphite/PVDF Composite Electrodes: A Model-Experimental Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takahashi, Kenji; Higa, Kenneth; Mair, Sunil

2015-12-11

Mechanical failure modes of a graphite/polyvinylidene difluoride (PVDF) composite electrode for lithium-ion batteries were investigated by combining realistic stress-stain tests and mathematical model predictions. Samples of PVDF mixed with conductive additive were prepared in a similar way to graphite electrodes and tested while submerged in electrolyte solution. Young's modulus and tensile strength values of wet samples were found to be approximately one-fifth and one-half of those measured for dry samples. Simulations of graphite particles surrounded by binder layers given the measured material property values suggest that the particles are unlikely to experience mechanical damage during cycling, but that the fatemore » of the surrounding composite of PVDF and conductive additive depends completely upon the conditions under which its mechanical properties were obtained. Simulations using realistic property values produced results that were consistent with earlier experimental observations.« less

Atomistic modeling and experimental studies of radiation damage in monazite-type LaPO4 ceramics

NASA Astrophysics Data System (ADS)

Ji, Yaqi; Kowalski, Piotr M.; Neumeier, Stefan; Deissmann, Guido; Kulriya, Pawan K.; Gale, Julian D.

2017-02-01

We simulated the threshold displacement energies (Ed), the related displacement and defect formation probabilities, and the energy barriers in LaPO4 monazite-type ceramics. The obtained Ed values for La, P, O primary knock-on atoms (PKA) are 56 eV, 75 eV and 8 eV, respectively. We found that these energies can be correlated with the energy barriers that separate the defect from the initial states. The Ed values are about twice the values of energy barriers, which is explained through an efficient dissipation of the PKA kinetic energy in the considered system. The computed Ed were used in simulations of the extent of radiation damage in La0.2Gd0.8PO4 solid solution, investigated experimentally. We found that this lanthanide phosphate fully amorphises in the ion beam experiments for fluences higher than ∼1013 ions/cm2.

Positive ions of the first- and second-row transition metal hydrides

NASA Technical Reports Server (NTRS)

Pettersson, Lars G. M.; Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Partridge, Harry

1987-01-01

Theoretical dissociation energies for the first- and second-row transition metal hydride positive ions are critically compared against recent experimental values obtained from ion beam reactive scattering methods. Theoretical spectroscopic parameters and dipole moments are presented for the ground and several low-lying excited states. The calculations employ large Gaussian basis sets and account for electron correlation using the single-reference single- and double-excitation configuration interaction and coupled-pair-functional methods. The Darwin and mass-velocity contributions to the relativistic energy are included in the all-electron calculations on the first-row systems using first-order perturbation theory, and in the second-row systems using the Hay and Wadt relativistic effective core potentials. The theoretical D(0) values for the second-row transition metal hydride positive ions should provide a critical measure of the experimental values, which are not as refined as many of those in the first transition row.

Anomalous electrical conductivity of nanoscale colloidal suspensions.

PubMed

Chakraborty, Suman; Padhy, Sourav

2008-10-28

The electrical conductivity of colloidal suspensions containing nanoscale conducting particles is nontrivially related to the particle volume fraction and the electrical double layer thickness. Classical electrochemical models, however, tend to grossly overpredict the pertinent effective electrical conductivity values, as compared to those obtained under experimental conditions. We attempt to address this discrepancy by appealing to the complex interconnection between the aggregation kinetics of the nanoscale particles and the electrodynamics within the double layer. In particular, we model the consequent alterations in the effective electrophoretic mobility values of the suspension by addressing the fundamentals of agglomeration-deagglomeration mechanisms through the pertinent variations in the effective particulate dimensions, solid fractions, as well as the equivalent suspension viscosity. The consequent alterations in the electrical conductivity values provide a substantially improved prediction of the corresponding experimental findings and explain the apparent anomalous behavior predicted by the classical theoretical postulates.

Cálculo del esfuerzo ideal de metales nobles mediante primeros principios en la dirección <100>

NASA Astrophysics Data System (ADS)

Bautista-Hernández, A.; López-Fuentes, M.; Pacheco-Espejel, V.; Rivas-Silva, J. F.

2005-04-01

We present calculations of the ideal strength on the < 100 > direction for noble metals (Cu, Ag and Au), by means of first principles calculations. First, we obtain the structural parameters (cell parameters, bulk modulus) for each studied metal. We deform on the < 100 > direction calculating the total energy and the stress tensor through the Hellman-Feynman theorem, by the relaxation of the unit cell in the perpendicular directions to the deformation one. The calculated cell constants differ 1.3 % from experimental data. The maximum ideal strength are 29.6, 17 and 19 GPa for Cu, Ag and Au respectively. Meanwhile, the calculated elastic modulus are 106 (Cu), 71 (Ag), and 45 GPa (Au) and are in agreement with the experimental values for polycrystalline samples. The values of maximum strength are explained by the optimum volume values due to the atomic radius size for each element.

Electron impact excitation of H2 - Rydberg band systems and the benchmark dissociative cross section for H Lyman-alpha

NASA Technical Reports Server (NTRS)

Shemansky, D. E.; Hall, D. T.; Ajello, J. M.

1985-01-01

The cross sections sigma R 1 (2p) for excitation of H Ly-alpha emission produced by electron impact on H2 is reexamined. A more accurate estimate for sigma R 1 (2p) is obtained based on Born approximation estimates of the H2 Rydberg system cross sections using measured relative excitation functions. The obtained value is (8.18 + or -1.2) x 10 to the -18th sq cm at 100 eV, a factor of 0.69 below the value universally applied to cross section measurements over the past decade. Cross sections for the H2 Rydberg systems fixed in magnitude by the Born approximation have also been obtained using experimentally determined excitation functions. Accurate analytic expressions for these cross sections allow the direct calculation of rate coefficients.

A Note on the Fractal Behavior of Hydraulic Conductivity and Effective Porosity for Experimental Values in a Confined Aquifer

PubMed Central

De Bartolo, Samuele; Fallico, Carmine; Veltri, Massimo

2013-01-01

Hydraulic conductivity and effective porosity values for the confined sandy loam aquifer of the Montalto Uffugo (Italy) test field were obtained by laboratory and field measurements; the first ones were carried out on undisturbed soil samples and the others by slug and aquifer tests. A direct simple-scaling analysis was performed for the whole range of measurement and a comparison among the different types of fractal models describing the scale behavior was made. Some indications about the largest pore size to utilize in the fractal models were given. The results obtained for a sandy loam soil show that it is possible to obtain global indications on the behavior of the hydraulic conductivity versus the porosity utilizing a simple scaling relation and a fractal model in coupled manner. PMID:24385876

A simple model of entropy relaxation for explaining effective activation energy behavior below the glass transition temperature.

PubMed

Bisquert, Juan; Henn, François; Giuntini, Jean-Charles

2005-03-01

Strong changes in relaxation rates observed at the glass transition region are frequently explained in terms of a physical singularity of the molecular motions. We show that the unexpected trends and values for activation energy and preexponential factor of the relaxation time tau, obtained at the glass transition from the analysis of the thermally stimulated current signal, result from the use of the Arrhenius law for treating the experimental data obtained in nonstationary experimental conditions. We then demonstrate that a simple model of structural relaxation based on a time dependent configurational entropy and Adam-Gibbs relaxation time is sufficient to explain the experimental behavior, without invoking a kinetic singularity at the glass transition region. The pronounced variation of the effective activation energy appears as a dynamic signature of entropy relaxation that governs the change of relaxation time in nonstationary conditions. A connection is demonstrated between the peak of apparent activation energy measured in nonequilibrium dielectric techniques, with the overshoot of the dynamic specific heat that is obtained in calorimetry techniques.

Effect of experimental and sample factors on dehydration kinetics of mildronate dihydrate: mechanism of dehydration and determination of kinetic parameters.

PubMed

Bērziņš, Agris; Actiņš, Andris

2014-06-01

The dehydration kinetics of mildronate dihydrate [3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propionate dihydrate] was analyzed in isothermal and nonisothermal modes. The particle size, sample preparation and storage, sample weight, nitrogen flow rate, relative humidity, and sample history were varied in order to evaluate the effect of these factors and to more accurately interpret the data obtained from such analysis. It was determined that comparable kinetic parameters can be obtained in both isothermal and nonisothermal mode. However, dehydration activation energy values obtained in nonisothermal mode showed variation with conversion degree because of different rate-limiting step energy at higher temperature. Moreover, carrying out experiments in this mode required consideration of additional experimental complications. Our study of the different sample and experimental factor effect revealed information about changes of the dehydration rate-limiting step energy, variable contribution from different rate limiting steps, as well as clarified the dehydration mechanism. Procedures for convenient and fast determination of dehydration kinetic parameters were offered. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

Structural characterization of a first-generation articulated-truss joint for space crane application

NASA Technical Reports Server (NTRS)

Sutter, Thomas R.; Wu, K. Chauncey; Riutort, Kevin T.; Laufer, Joseph B.; Phelps, James E.

1992-01-01

A first-generation space crane articulated-truss joint was statically and dynamically characterized in a configuration that approximated an operational environment. The articulated-truss joint was integrated into a test-bed for structural characterization. Static characterization was performed by applying known loads and measuring the corresponding deflections to obtain load-deflection curves. Dynamic characterization was performed using modal testing to experimentally determine the first six mode shapes, frequencies, and modal damping values. Static and dynamic characteristics were also determined for a reference truss that served as a characterization baseline. Load-deflection curves and experimental frequency response functions are presented for the reference truss and the articulated-truss joint mounted in the test-bed. The static and dynamic experimental results are compared with analytical predictions obtained from finite element analyses. Load-deflection response is also presented for one of the linear actuators used in the articulated-truss joint. Finally, an assessment is presented for the predictability of the truss hardware used in the reference truss and articulated-truss joint based upon hardware stiffness properties that were previously obtained during the Precision Segmented Reflector (PSR) Technology Development Program.

Epitope-blocking enzyme-linked immunosorbent assay to differentiate west nile virus from Japanese encephalitis virus infections in equine sera.

PubMed

Kitai, Yoko; Shoda, Mizue; Kondo, Takashi; Konishi, Eiji

2007-08-01

West Nile virus (WNV) is now widely distributed worldwide, except in most areas of Asia where Japanese encephalitis virus (JEV) is distributed. Considering the movement and migration of reservoir birds, there is concern that WNV may be introduced in Asian countries. Although manuals and guidelines for serological tests have been created in Japan in preparedness for the introduction of WNV, differential diagnosis between WNV and JEV may be complicated by antigenic cross-reactivities between these flaviviruses. Here, we generated a monoclonal antibody specific for the nonstructural protein 1 (NS1) of WNV and established an epitope-blocking enzyme-linked immunosorbent assay that can differentiate WNV from JEV infections in horse sera. Under conditions well suited for our assay system, samples collected from 95 horses in Japan (regarded as negative for WNV antibodies), including those collected from horses naturally infected with JEV, showed a mean inhibition value of 8.2% and a standard deviation (SD) of 6.5%. However, inhibition values obtained with serum used as a positive control (obtained after 28 days from a horse experimentally infected with WNV) in nine separate experiments showed a mean of 54.4% and an SD of 7.1%. We tentatively determined 27.6% (mean + 3 x SD obtained with 95 negative samples) as the cutoff value to differentiate positive from negative samples. Under this criterion, two horses experimentally infected with WNV were diagnosed as positive at 12 and 14 days, respectively, after infection.

In-situ intestinal rat perfusions for human Fabs prediction and BCS permeability class determination: Investigation of the single-pass vs. the Doluisio experimental approaches.

PubMed

Lozoya-Agullo, Isabel; Zur, Moran; Wolk, Omri; Beig, Avital; González-Álvarez, Isabel; González-Álvarez, Marta; Merino-Sanjuán, Matilde; Bermejo, Marival; Dahan, Arik

2015-03-01

Intestinal drug permeability has been recognized as a critical determinant of the fraction dose absorbed, with direct influence on bioavailability, bioequivalence and biowaiver. The purpose of this research was to compare intestinal permeability values obtained by two different intestinal rat perfusion methods: the single-pass intestinal perfusion (SPIP) model and the Doluisio (closed-loop) rat perfusion method. A list of 15 model drugs with different permeability characteristics (low, moderate, and high, as well as passively and actively absorbed) was constructed. We assessed the rat intestinal permeability of these 15 model drugs in both SPIP and the Doluisio methods, and evaluated the correlation between them. We then evaluated the ability of each of these methods to predict the fraction dose absorbed (Fabs) in humans, and to assign the correct BCS permeability class membership. Excellent correlation was obtained between the two experimental methods (r(2)=0.93). An excellent correlation was also shown between literature Fabs values and the predictions made by both rat perfusion techniques. Similar BCS permeability class membership was designated by literature data and by both SPIP and Doluisio methods for all compounds. In conclusion, the SPIP model and the Doluisio (closed-loop) rat perfusion method are both equally useful for obtaining intestinal permeability values that can be used for Fabs prediction and BCS classification. Copyright © 2015 Elsevier B.V. All rights reserved.

Microwave Conductivity of Laser Ablated YBa2Cu3O7-delta Superconducting Films and Its Relation to Microstrip Transmission Line Performance

NASA Technical Reports Server (NTRS)

Bhasin, K. B.; Warner, J. D.; Chorey, C. M.; Ebihara, B. T.; Romanofsky, R. R.; Heinen, V. O.

1990-01-01

We report on the values of the microwave conductivity in the normal (sigma(subN)) and superconducting (sigma*=sigma(sub1)-j sigma(sub2)) states of two laser ablated YBa2CU3O7(sigma) thin films at 35 GHz, in the temperature range from 20 to 300 K. The films 0.7 and 0.4 micrometers) were deposited on LaA10(sub3) by laser ablation. The conductivity was obtained from the microwave power transmitted through the films and assuming a two-fluid model. Values of sigma(subN) approximately 2.3 X 10(exp5) S/m at room temperature for both films, and of sigma(sub1) approximately 6.3 X 10(exp5) and 4.6 X 10(exp5) S/m at temperatures around 80 K were obtained for the 0.7 and 0.4 micrometer films respectively. For sigma(sub2) values of 4.9 X 10(exp6) and 5.4 X 10(exp6) S/m were obtained for the 0.7 and 0.4 micrometer films at 80 K. The expected conductor losses and Q-factor of a superconducting ring resonator were calculated using these conductivity values. The theoretical values were then compared with the experimental results obtained for a resonator fabricated from one of these films.

On the Gompertzian growth in the fractal space-time.

PubMed

Molski, Marcin; Konarski, Jerzy

2008-06-01

An analytical approach to determination of time-dependent temporal fractal dimension b(t)(t) and scaling factor a(t)(t) for the Gompertzian growth in the fractal space-time is presented. The derived formulae take into account the proper boundary conditions and permit a calculation of the mean values b(t)(t) and a(t)(t) at any period of time. The formulae derived have been tested on experimental data obtained by Schrek for the Brown-Pearce rabbit's tumor growth. The results obtained confirm a possibility of successful mapping of the experimental Gompertz curve onto the fractal power-law scaling function y(t)=a(t)tb(t) and support a thesis that Gompertzian growth is a self-similar and allometric process of a holistic nature.

Correlation of heat transfer coefficient in quenching process using ABAQUS

NASA Astrophysics Data System (ADS)

Davare, Sandeep Kedarnath; Balachandran, G.; Singh, R. K. P.

2018-04-01

During the heat treatment by quenching in a liquid medium the convective heat transfer coefficient plays a crucial role in the extraction of heat. The heat extraction ultimately influences the cooling rate and hence the hardness and mechanical properties. A Finite Element analysis of quenching a simple flat copper sample with different orientation of sample and with different quenchant temperatures were carried out to check and verify the results obtained from the experiments. The heat transfer coefficient (HTC) was calculated from temperature history in a simple flat copper disc sample experimentally. This HTC data was further used as input to simulation software and the cooling curves were back calculated. The results obtained from software and using experimentation shows nearly consistent values.

Model tests and numerical analyses on horizontal impedance functions of inclined single piles embedded in cohesionless soil

NASA Astrophysics Data System (ADS)

Goit, Chandra Shekhar; Saitoh, Masato

2013-03-01

Horizontal impedance functions of inclined single piles are measured experimentally for model soil-pile systems with both the effects of local soil nonlinearity and resonant characteristics. Two practical pile inclinations of 5° and 10° in addition to a vertical pile embedded in cohesionless soil and subjected to lateral harmonic pile head loadings for a wide range of frequencies are considered. Results obtained with low-to-high amplitude of lateral loadings on model soil-pile systems encased in a laminar shear box show that the local nonlinearities have a profound impact on the horizontal impedance functions of piles. Horizontal impedance functions of inclined piles are found to be smaller than the vertical pile and the values decrease as the angle of pile inclination increases. Distinct values of horizontal impedance functions are obtained for the `positive' and `negative' cycles of harmonic loadings, leading to asymmetric force-displacement relationships for the inclined piles. Validation of these experimental results is carried out through three-dimensional nonlinear finite element analyses, and the results from the numerical models are in good agreement with the experimental data. Sensitivity analyses conducted on the numerical models suggest that the consideration of local nonlinearity at the vicinity of the soil-pile interface influence the response of the soil-pile systems.

NMR absolute shielding scale and nuclear magnetic dipole moment of (207)Pb.

PubMed

Adrjan, Bożena; Makulski, Włodzimierz; Jackowski, Karol; Demissie, Taye B; Ruud, Kenneth; Antušek, Andrej; Jaszuński, Michał

2016-06-28

An absolute shielding scale is proposed for (207)Pb nuclear magnetic resonance (NMR) spectroscopy. It is based on ab initio calculations performed on an isolated tetramethyllead Pb(CH3)4 molecule and the assignment of the experimental resonance frequency from the gas-phase NMR spectra of Pb(CH3)4, extrapolated to zero density of the buffer gas to obtain the result for an isolated molecule. The computed (207)Pb shielding constant is 10 790 ppm for the isolated molecule, leading to a shielding of 10799.7 ppm for liquid Pb(CH3)4 which is the accepted reference standard for (207)Pb NMR spectra. The new experimental and theoretical data are used to determine μ((207)Pb), the nuclear magnetic dipole moment of (207)Pb, by applying the standard relationship between NMR frequencies, shielding constants and nuclear moments of two nuclei in the same external magnetic field. Using the gas-phase (207)Pb and (reference) proton results and the theoretical value of the Pb shielding in Pb(CH3)4, we find μ((207)Pb) = 0.59064 μN. The analysis of new experimental and theoretical data obtained for the Pb(2+) ion in water solutions provides similar values of μ((207)Pb), in the range of 0.59000-0.59131 μN.

Determination of the dispersion constant in a constrained vapor bubble thermosyphon

NASA Technical Reports Server (NTRS)

Dasgupta, Sunando; Plawsky, Joel L.; Wayner, Peter C., Jr.

1995-01-01

The isothermal profiles of the extended meniscus in a quartz cuvette were measured in a gravitational field using an image analyzing interferometer which is based on computer enhanced video microscopy of the naturally occurring interference fringes. The experimental results for heptane and pentane menisci were analyzed using the extended Young Laplace Equation. These isothermal results characterized the interfacial force field in-siru at the start of the heat transfer experiments by quantifying the dispersion constant, which is a function of the liquid-solid system and cleaning procedures. The experimentally obtained values of the disjoining pressure and the dispersion constants were compared to that predicted from the DLP theory and good agreements were obtained. The measurements are critical to the subsequent non-isothermal experiments because one of the major variables in the heat sink capability of the Constrained Vapor Bubble Thermosyphon, CVBT, is the dispersion constant. In all previous studies of micro heat pipes the value of the dispersion constant has been 'estimated'. One of the major advantages of the current glass cell is the ability to view the extended meniscus at all times. Experimentally, we find that the extended Young-Laplace Equation is an excellent model for the force field at the solid-liquid-vapor interfaces.

An equation for the prediction of human skin permeability of neutral molecules, ions and ionic species.

PubMed

Zhang, Keda; Abraham, Michael H; Liu, Xiangli

2017-04-15

Experimental values of permeability coefficients, as log K p , of chemical compounds across human skin were collected by carefully screening the literature, and adjusted to 37°C for the effect of temperature. The values of log K p for partially ionized acids and bases were separated into those for their neutral and ionic species, forming a total data set of 247 compounds and species (including 35 ionic species). The obtained log K p values have been regressed against Abraham solute descriptors to yield a correlation equation with R 2 =0.866 and SD=0.432 log units. The equation can provide valid predictions for log K p of neutral molecules, ions and ionic species, with predictive R 2 =0.858 and predictive SD=0.445 log units calculated by the leave-one-out statistics. The predicted log K p values for Na + and Et 4 N + are in good agreement with the observed values. We calculated the values of log K p of ketoprofen as a function of the pH of the donor solution, and found that log K p markedly varies only when ketoprofen is largely ionized. This explains why models that neglect ionization of permeants still yield reasonable statistical results. The effect of skin thickness on log K p was investigated by inclusion of two indicator variables, one for intermediate thickness skin and one for full thickness skin, into the above equation. The newly obtained equations were found to be statistically very close to the above equation. Therefore, the thickness of human skin used makes little difference to the experimental values of log K p . Copyright © 2017 Elsevier B.V. All rights reserved.

An improved model of homogeneous nucleation for high supersaturation conditions: aluminum vapor.

PubMed

Savel'ev, A M; Starik, A M

2016-12-21

A novel model of stationary nucleation, treating the thermodynamic functions of small clusters, has been built. The model is validated against the experimental data on the nucleation rate of water vapor obtained in a broad range of supersaturation values (S = 10-120), and, at high supersaturation values, it reproduces the experimental data much better than the traditional classical nucleation model. A comprehensive analysis of the nucleation of aluminum vapor with the usage of developed stationary and non-stationary nucleation models has been performed. It has been shown that, at some value of supersaturation, there exists a double potential nucleation barrier. It has been revealed that the existence of this barrier notably delayed the establishment of a stationary distribution of subcritical clusters. It has also been demonstrated that the non-stationary model of the present work and the model of liquid-droplet approximation predict different values of nucleation delay time, τ s . In doing so, the liquid-droplet model can underestimate notably (by more than an order of magnitude) the value of τ s .

Ab initio study of the electron-phonon coupling at the Cr(001) surface

NASA Astrophysics Data System (ADS)

Peters, L.; Rudenko, A. N.; Katsnelson, M. I.

2018-04-01

It is experimentally well established that the Cr(001) surface exhibits a sharp resonance around the Fermi level. However, there is no consensus about its physical origin. It is proposed to be either due to a single particle dz2 surface state renormalized by electron-phonon coupling or the orbital Kondo effect involving the degenerate dx z/ dy z states. In this paper we examine the electron-phonon coupling of the Cr(001) surface by means of ab-initio calculations in the form of density functional perturbation theory. More precisely, the electron-phonon mass-enhancement factor of the surface layer is investigated for the 3d states. For the majority and minority spin dz2 surface states we find values of 0.19 and 0.16. We show that these calculated electron-phonon mass-enhancement factors are not in agreement with the experimental data even if we use realistic values for the temperature range and surface Debye frequency for the fit of the experimental data. More precisely, then experimentally an electron-phonon mass-enhancement factor of 0.70 ±0.10 is obtained, which is not in agreement with our calculated values of 0.19 and 0.16. Our findings suggest that the experimentally observed resonance at the Cr(001) surface is not due to electron-phonon effects but due to electron-electron correlation effects.

Effect of the pulmonary deposition and in vitro permeability on the prediction of plasma levels of inhaled budesonide formulation.

PubMed

Salar-Behzadi, Sharareh; Wu, Shengqian; Mercuri, Annalisa; Meindl, Claudia; Stranzinger, Sandra; Fröhlich, Eleonore

2017-10-30

The growing interest in the inhalable pharmaceutical products requires advanced approaches to safe and fast product development, such as in silico tools that can be used for estimating the bioavailability and toxicity of developed formulation. GastroPlus™ is one of the few available software packages for in silico simulation of PBPK profile of inhalable products. It contains a complementary module for calculating the lung deposition, the permeability and the systemic absorption of inhalable products. Experimental values of lung deposition and permeability can also be used. This study aims to assess the efficiency of simulation by applying experimental permeability and deposition values, using budesonide as a model substance. The lung deposition values were obtained from the literature, the lung permeability data were experimentally determined by culturing Calu-3 cells under air-liquid interface and submersed conditions to morphologically resemble bronchial and alveolar epithelial cells, respectively. A two-compartment PK model was created for i.v. administration and used as a background for the in silico simulation of the plasma profile of budesonide after inhalation. The predicted plasma profile was compared with the in vivo data from the literature and the effects of experimental lung deposition and permeability on prediction were assessed. The developed model was significantly improved by using realistic lung deposition data combined with experimental data for peripheral permeability. Copyright © 2017 Elsevier B.V. All rights reserved.

Partitioning of Ni, Co and V between Spinel-Structured Oxides and Silicate Melts: Importance of Spinel Composition

NASA Technical Reports Server (NTRS)

Righter, K.; Leeman, W. P.; Hervig, R. L.

2006-01-01

Partitioning of Ni, Co and V between Cr-rich spinels and basaltic melt has been studied experimentally between 1150 and 1325 C, and at controlled oxygen fugacity from the Co-CoO buffer to slightly above the hematite magnetite buffer. These new results, together with new Ni, Co and V analyses of experimental run products from Leeman [Leeman, W.P., 1974. Experimental determination of the partitioning of divalent cations between olivine and basaltic liquid, Pt. II. PhD thesis, Univ. Oregon, 231 - 337.], show that experimentally determined spinel melt partition coefficients (D) are dependent upon temperature (T), oxygen fugacity (fO2) and spinel composition. In particular, partition coefficients determined on doped systems are higher than those in natural (undoped) systems, perhaps due to changing activity coefficients over the composition range defined by the experimental data. Using our new results and published runs (n =85), we obtain a multilinear regression equation that predicts experimental D(V) values as a function of T, fO2, concentration of V in melt and spinel composition. This equation allows prediction of D(V) spinel/melt values for natural mafic liquids at relevant crystallization conditions. Similarly, D(Ni) and D(Co) values can be inferred from our experiments at redox conditions approaching the QFM buffer, temperatures of 1150 to 1250 C and spinel composition (early Cr-bearing and later Ti-magnetite) appropriate for basic magma differentiation. When coupled with major element modelling of liquid lines of descent, these values (D(Ni) sp/melt=10 and D(Co) sp/melt=5) closely reproduce the compositional variation observed in komatiite, mid-ocean ridge basalt (MORB), ocean island basalt (OIB) and basalt to rhyolite suites.

Characterisation of transition state structures for protein folding using 'high', 'medium' and 'low' {Phi}-values.

PubMed

Geierhaas, Christian D; Salvatella, Xavier; Clarke, Jane; Vendruscolo, Michele

2008-03-01

It has been suggested that Phi-values, which allow structural information about transition states (TSs) for protein folding to be obtained, are most reliably interpreted when divided into three classes (high, medium and low). High Phi-values indicate almost completely folded regions in the TS, intermediate Phi-values regions with a detectable amount of structure and low Phi-values indicate mostly unstructured regions. To explore the extent to which this classification can be used to characterise in detail the structure of TSs for protein folding, we used Phi-values divided into these classes as restraints in molecular dynamics simulations. This type of procedure is related to that used in NMR spectroscopy to define the structure of native proteins from the measurement of inter-proton distances derived from nuclear Overhauser effects. We illustrate this approach by determining the TS ensembles of five proteins and by showing that the results are similar to those obtained by using as restraints the actual numerical Phi-values measured experimentally. Our results indicate that the simultaneous consideration of a set of low-resolution Phi-values can provide sufficient information for characterising the architecture of a TS for folding of a protein.

Characterisation of transition state structures for protein folding using ‘high’, ‘medium’ and ‘low’ Φ-values

PubMed Central

Geierhaas, Christian D.; Salvatella, Xavier; Clarke, Jane; Vendruscolo, Michele

2008-01-01

It has been suggested that Φ-values, which allow structural information about transition states (TSs) for protein folding to be obtained, are most reliably interpreted when divided into three classes (high, medium and low). High Φ-values indicate almost completely folded regions in the TS, intermediate Φ-values regions with a detectable amount of structure and low Φ-values indicate mostly unstructured regions. To explore the extent to which this classification can be used to characterise in detail the structure of TSs for protein folding, we used Φ-values divided into these classes as restraints in molecular dynamics simulations. This type of procedure is related to that used in NMR spectroscopy to define the structure of native proteins from the measurement of inter-proton distances derived from nuclear Overhauser effects. We illustrate this approach by determining the TS ensembles of five proteins and by showing that the results are similar to those obtained by using as restraints the actual numerical Φ-values measured experimentally. Our results indicate that the simultaneous consideration of a set of low-resolution Φ-values can provide sufficient information for characterising the architecture of a TS for folding of a protein. PMID:18299294

Spectroscopic investigation on structure (monomer and dimer), molecular characteristics and comparative study on vibrational analysis of picolinic and isonicotinic acids using experimental and theoretical (DFT & IVP) methods

NASA Astrophysics Data System (ADS)

Ramesh, Gaddam; Reddy, Byru Venkatram

2018-05-01

In this investigation, the monomeric structure is determined for picolinic and isonicotinic acids based on geometry optimization for one of the four possible conformers and intramolecular hydrogen bond of Osbnd H⋯O using density functional theory (DFT) employing B3LYP functional supplemented with 6-311++G(d,p) basis set. Using this optimized monomeric form, the dimer structure is determined based on minimum energy and length of hydrogen bonds obtained for two possible dimeric forms yielded due to head-to-tail intermolecular Osbnd H⋯N hydrogen bond (dimer 1) linkage and tail-to -tail intermolecular Osbnd H⋯O hydrogen bond (dimer 2) linkage between pyridine ring and carboxyl group. The structure parameters obtained for monomer and dimer forms are in good agreement with the experimental literature values. The vibrational assignments have been made unambiguously for all the vibrations from FTIR and FT-Raman spectra based on the potential energy distribution (PED) and eigen vectors obtained in DFT and inverse vibrational problem (IVP) computations. The rms error between the observed and scaled frequencies is 7.7 and 9.4 cm-1 for PIA and INA, respectively. A 74-element modified valence force field is derived by Wilson's GF matrix method using 58 experimental frequencies of the two molecules in overlay least-squares technique. The average error between observed and computed frequencies by this method is calculated to be 10.39 cm-1. The results of both DFT and IVP computations yielded good agreement between observed and calculated frequencies. The NLO behaviour using hyperpolarizability values; and HOMO and LUMO energies; of the two molecules are investigated by DFT. Charge density distribution and site of chemical reactivity of the molecules are studied by molecular electrostatic surface potential (MESP). Stability of the molecules arising from hyper conjugative interactions and charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The 13C and 1H NMR chemical shifts of the molecules are calculated by the gauge independent atomic orbital (GIAO) method and compared with experimental results. UV-visible (UV-Vis) spectra of the compounds are also recorded in the region 200-400 nm. Thermodynamic parameters and rotational constants are also determined and found that they are comparable with experimental literature values for these molecules.

Aerosol penetration through a model transport system: Comparison of theory and experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

McFarland, A.R.; Wong, F.S.; Anand, N.K.

1991-09-01

Numerical predictions were made of aerosol penetration through a model transport system. A physical model of the system was constructed and tested in an aerosol wind tunnel to obtain comparative data. The system was 26.6 mm in diameter and consisted of an inlet and three straight sections (oriented horizontally, vertically, and at 45{degree}). Particle sizes covered a range in which losses were primarily caused by inertial and gravitational effects (3-25 {mu}m aerodynamic equivalent diameter (AED)). Tests were conducted at two flow rates (70 and 130 l/min) and two inlet orientations (parallel and perpendicular to the free stream). Wind speed wasmore » 3 m/s for all test cases. The cut points for aerosol penetration through the experimental model vis-a-vis the numerical results are as follows: At a flow rate of 70 l/min with the inlet at 0{degree}, the experimentally observed cut point was 16.2 {mu}m AED while the numerically predicted value was 18.2 {mu}m AED while the numerically predicted value was 18.2 {mu}m AED. At 130 l/min and 0{degree}, the experimental cut point was 12.8 {mu}m AED as compared with a numerically value of 13.7 {mu}m AED. At 70l/min and a 90{degree}, the experimental cut point was 12.0 {mu}m AED while the numerically calculated value was 11.1 {mu}m AED. Slopes of the experimental penetration curves are somewhat steeper than the numerically predicted counterparts.« less

How Hot are Your Ions Really? A Threshold Collision-Induced Dissociation Study of Substituted Benzylpyridinium "Thermometer" Ions

NASA Astrophysics Data System (ADS)

Carpenter, John E.; McNary, Christopher P.; Furin, April; Sweeney, Andrew F.; Armentrout, P. B.

2017-09-01

The first absolute experimental bond dissociation energies (BDEs) for the main heterolytic bond cleavages of four benzylpyridinium "thermometer" ions are measured using threshold collision-induced dissociation in a guided ion beam tandem mass spectrometer. In this experiment, substituted benzylpyridinium ions are introduced into the apparatus using an electrospray ionization source, thermalized, and collided with Xe at varied kinetic energies to determine absolute cross-sections for these reactions. Various effects are accounted for, including kinetic shifts, multiple collisions, and internal and kinetic energy distributions. These experimentally measured 0 K BDEs are compared with computationally predicted values at the B3LYP-GD3BJ, M06-GD3, and MP2(full) levels of theory with a 6-311+G(2d,2p) basis set using vibrational frequencies and geometries determined at the B3LYP/6-311+G(d,p) level. Additional dissociation pathways are observed for nitrobenzylpyridinium experimentally and investigated using these same levels of theory. Experimental BDEs are also compared against values in the literature at the AM1, HF, B3LYP, B3P86, and CCSD(T) levels of theory. Of the calculated values obtained in this work, the MP2(full) level of theory with counterpoise corrections best reproduces the experimental results, as do the similar literature CCSD(T) values. Lastly, the survival yield method is used to determine the characteristic temperature (Tchar) of the electrospray source prior to the thermalization region and to confirm efficient thermalization. [Figure not available: see fulltext.

Predicting charmonium and bottomonium spectra with a quark harmonic oscillator

NASA Technical Reports Server (NTRS)

Norbury, J. W.; Badavi, F. F.; Townsend, L. W.

1986-01-01

The nonrelativistic quark model is applied to heavy (nonrelativistic) meson (two-body) systems to obtain sufficiently accurate predictions of the spin-averaged mass levels of the charmonium and bottomonium spectra as an example of the three-dimensional harmonic oscillator. The present calculations do not include any spin dependence, but rather, mass values are averaged for different spins. Results for a charmed quark mass value of 1500 MeV/c-squared show that the simple harmonic oscillator model provides good agreement with experimental values for 3P states, and adequate agreement for the 3S1 states.

Comparison of ionospheric F2 peak parameters foF2 and hmF2 with IRI2001 at Hainan

NASA Astrophysics Data System (ADS)

Wang, X.; Shi, J. K.; Wang, G. J.; Gong, Y.

2009-06-01

Monthly median values of foF2, hmF2 and M(3000)F2 parameters, with quarter-hourly time interval resolution for the diurnal variation, obtained with DPS4 digisonde at Hainan (19.5°N, 109.1°E; Geomagnetic coordinates: 178.95°E, 8.1°N) are used to investigate the low-latitude ionospheric variations and comparisons with the International Reference Ionosphere (IRI) model predictions. The data used for the present study covers the period from February 2002 to April 2007, which is characterized by a wide range of solar activity, ranging from high solar activity (2002) to low solar activity (2007). The results show that (1) Generally, IRI predictions follow well the diurnal and seasonal variation patterns of the experimental values of foF2, especially in the summer of 2002. However, there are systematic deviation between experimental values and IRI predictions with either CCIR or URSI coefficients. Generally IRI model greatly underestimate the values of foF2 from about noon to sunrise of next day, especially in the afternoon, and slightly overestimate them from sunrise to about noon. It seems that there are bigger deviations between IRI Model predictions and the experimental observations for the moderate solar activity. (2) Generally the IRI-predicted hmF2 values using CCIR M(3000)F2 option shows a poor agreement with the experimental results, but there is a relatively good agreement in summer at low solar activity. The deviation between the IRI-predicted hmF2 using CCIR M(3000)F2 and observed hmF2 is bigger from noon to sunset and around sunrise especially at high solar activity. The occurrence time of hmF2 peak (about 1200 LT) of the IRI model predictions is earlier than that of observations (around 1500 LT). The agreement between the IRI hmF2 obtained with the measured M(3000)F2 and the observed hmF2 is very good except that IRI overestimates slightly hmF2 in the daytime in summer at high solar activity and underestimates it in the nighttime with lower values near sunrise at low solar activity.

On collisional disruption - Experimental results and scaling laws

NASA Technical Reports Server (NTRS)

Davis, Donald R.; Ryan, Eileen V.

1990-01-01

Both homogeneous and inhomogeneous targets have been addressed by the present experimental consideration of the impact strengths, fragment sizes, and fragment velocities generated by cement mortar targets whose crushing strengths vary by an order of magnitude, upon impact of projectiles in the velocity range of 50-5700 m/sec. When combined with additional published data, dynamic impact strength is found to correlate with quasi-static material strengths for materials ranging in character from basalt to ice; two materials not following this trend, however, are weak mortar and clay targets. Values consistent with experimental results are obtainable with a simple scaling algorithm based on impact energy, material properties, and collisional strain rate.

Losses in radial inflow turbines

NASA Technical Reports Server (NTRS)

Khalil, I. M.; Tabakoff, W.; Hamed, A.

1976-01-01

A study was conducted to determine experimentally and theoretically the losses in radial inflow turbine nozzles. Extensive experimental data was obtained to investigate the flow behavior in a full-scale radial turbine stator annulus. A theoretical model to predict the losses in both the vaned and vaneless regions of the nozzle was developed. In this analysis, the interaction effects between the stator and the rotor are not considered. It was found that the losses incurred due to the end wall boundary layers can be significant, especially if they are characterized by a strong crossflow. The losses estimated using the analytical study are compared with the experimentally determined values.

The electrochemistry of carbon steel in simulated concrete pore water in boom clay repository environments

NASA Astrophysics Data System (ADS)

MacDonald, D. D.; Saleh, A.; Lee, S. K.; Azizi, O.; Rosas-Camacho, O.; Al-Marzooqi, A.; Taylor, M.

2011-04-01

The prediction of corrosion damage of canisters to experimentally inaccessible times is vitally important in assessing various concepts for the disposal of High Level Nuclear Waste. Such prediction can only be made using deterministic models, whose predictions are constrained by the time-invariant natural laws. In this paper, we describe the measurement of experimental electrochemical data that will allow the prediction of damage to the carbon steel overpack of the super container in Belgium's proposed Boom Clay repository by using the Point Defect Model (PDM). PDM parameter values are obtained by optimizing the model on experimental, wide-band electrochemical impedance spectroscopy data.

A comprehensive study of g-factors, elastic, structural and electronic properties of III-V semiconductors using hybrid-density functional theory

NASA Astrophysics Data System (ADS)

Bastos, Carlos M. O.; Sabino, Fernando P.; Sipahi, Guilherme M.; Da Silva, Juarez L. F.

2018-02-01

Despite the large number of theoretical III-V semiconductor studies reported every year, our atomistic understanding is still limited. The limitations of the theoretical approaches to yield accurate structural and electronic properties on an equal footing, is due to the unphysical self-interaction problem that mainly affects the band gap and spin-orbit splitting (SOC) in semiconductors and, in particular, III-V systems with similar magnitude of the band gap and SOC. In this work, we report a consistent study of the structural and electronic properties of the III-V semiconductors by using the screening hybrid-density functional theory framework, by fitting the α parameters for 12 different III-V compounds, namely, AlN, AlP, AlAs, AlSb, GaN, GaP, GaAs, GaSb, InN, InP, InAs, and InSb, to minimize the deviation between the theoretical and experimental values of the band gap and SOC. Structural relaxation effects were also included. Except for AlP, whose α = 0.127, we obtained α values that ranged from 0.209 to 0.343, which deviate by less than 0.1 from the universal value of 0.25. Our results for the lattice parameter and elastic constants indicate that the fitting of α does not affect those structural parameters when compared with the HSE06 functional, where α = 0.25. Our analysis of the band structure based on the k ṡ p method shows that the effective masses are in agreement with the experimental values, which can be attributed to the simultaneous fitting of the band gap and SOC. Also, we estimate the values of g-factors, extracted directly from the band structure, which are close to experimental results, which indicate that the obtained band structure produced a realistic set of k ṡ p parameters.

Effects of an exercise program on blood biochemical values and exercise stage of chronic kidney disease patients.

PubMed

Chen, Pei-Ying; Huang, Yi-Ching; Kao, Yu-Hsiu; Chen, Jinn-Yang

2010-06-01

Chronic kidney disease (CKD) patients face a relatively high risk of cardiovascular disease morbidity and mortality. A healthy lifestyle facilitated by participation in a regular exercise regimen may prevent or retard conditions commonly associated with CKD, including hypertension, hyperlipidemia, and diabetes. This study examined the effect of a tailored exercise program on blood biochemical values and other exercise-related variables in CKD patients. A total of 94 subjects diagnosed with CKD by a nephrology outpatient clinic at a medical center in northern Taiwan participated in this quasi-experimental study. Subjects were randomly divided into an experimental group (n = 45) or a control group (n = 49). Experimental group subjects agreed to join a 3-month exercise program. Individual guidance was given remotely to the experimental group over the telephone during the second and the third months following initiation of the exercise intervention. Both groups completed the pretest and posttest forms of the Stages of Exercise Questionnaire, and blood biochemical data were obtained from patient medical files. Data were analyzed using analysis of covariance. The preexercise cholesterol values (from 198.03 +/- 43.52 to 160.97 +/- 37.39 mg/dl) of the experimental group differed significantly from their postexercise values. Also, the number of subjects in the experimental group who reported exercising regularly rose from 57.8% pretest to 75.6% posttest. However, changes in red blood cell count, hemoglobin, hematocrit, and blood sugar were all insignificant in the experimental group. No significant change in any of these items was detected in the control group. The cholesterol value of the experimental group (158.75 mg/dl) was significantly lower than that of the control group (177.29 mg/dl) after applying analysis of covariance, using the pretest results of both groups as the covariate. The developed exercise program was found to reduce cholesterol levels in CKD patients effectively, to encourage more patients to do exercise regularly, and to offer clinical nursing staff an approach to encourage and teach CKD patients to exercise.

Investigation on the Accuracy of Superposition Predictions of Film Cooling Effectiveness

NASA Astrophysics Data System (ADS)

Meng, Tong; Zhu, Hui-ren; Liu, Cun-liang; Wei, Jian-sheng

2018-05-01

Film cooling effectiveness on flat plates with double rows of holes has been studied experimentally and numerically in this paper. This configuration is widely used to simulate the multi-row film cooling on turbine vane. Film cooling effectiveness of double rows of holes and each single row was used to study the accuracy of superposition predictions. Method of stable infrared measurement technique was used to measure the surface temperature on the flat plate. This paper analyzed the factors that affect the film cooling effectiveness including hole shape, hole arrangement, row-to-row spacing and blowing ratio. Numerical simulations were performed to analyze the flow structure and film cooling mechanisms between each film cooling row. Results show that the blowing ratio within the range of 0.5 to 2 has a significant influence on the accuracy of superposition predictions. At low blowing ratios, results obtained by superposition method agree well with the experimental data. While at high blowing ratios, the accuracy of superposition prediction decreases. Another significant factor is hole arrangement. Results obtained by superposition prediction are nearly the same as experimental values of staggered arrangement structures. For in-line configurations, the superposition values of film cooling effectiveness are much higher than experimental data. For different hole shapes, the accuracy of superposition predictions on converging-expanding holes is better than cylinder holes and compound angle holes. For two different hole spacing structures in this paper, predictions show good agreement with the experiment results.

Modification of Grange-Kiefer Approach for Determination of Hardenability in Eutectoid Steel

NASA Astrophysics Data System (ADS)

Sushanthi, Neethi; Maity, Joydeep

2014-12-01

In this research work, an independent mathematical modeling approach has been adopted for determination of the hardenability of steels. In this model, at first, cooling curves were generated by solving transient heat transfer equation through discretization with pure explicit finite difference scheme coupled with MATLAB-based programming considering variable thermo-physical properties of 1080 steel. Thereafter, a new fundamental approach is proposed for obtaining CCT noses as a function of volume fraction transformed through modification of Grange-Kiefer approach. The cooling curves were solved against 50 pct transformation nose of CCT diagram in order to predict hardening behavior of 1080 steel in terms of hardenability parameters (Grossmann critical diameter, D C; and ideal critical diameter, D I) and the variation of the unhardened core diameter ( D u) to diameter of steel bar ( D) ratio with diameter of the steel bar ( D). The experiments were also performed to ascertain actual D C value of 1080 steel for still water quenching. The D C value obtained by the developed model was found to match the experimental D C value with only 3 pct deviation. Therefore, the model developed in the present work can be used for direct determination of D I, D C and D u without resorting to any rigorous experimentation.

The Influence of High-Energy Electrons Irradiation on Surface of n-GaP and on Au/n-GaP/Al Schottky Barrier Diode

NASA Astrophysics Data System (ADS)

Demir, K. Çinar; Kurudirek, S. V.; Oz, S.; Biber, M.; Aydoğan, Ş.; Şahin, Y.; Coşkun, C.

We fabricated 25 Au/n-GaP/Al Schottky devices and investigated the influence of high electron irradiation, which has 12MeV on the devices, at room temperature. The X-ray diffraction patterns, scanning electron microscopic images and Raman spectra of a gallium phosphide (GaP) semiconductor before and after electron irradiation have been analyzed. Furthermore, some electrical measurements of the devices were carried out through the current-voltage (I-V) and capacitance-voltage (C-V) measurements. From the I-V characteristics, experimental ideality factor n and barrier height Φ values of these Schottky diodes have been determined before and after irradiation, respectively. The results have also been analyzed statically, and a gauss distribution has been obtained. The built-in potential Vbi, barrier height Φ, Fermi level EF and donor concentration Nd values have been determined from the reverse bias C-V and C-2-V curves of Au/n-GaP/Al Schottky barrier diodes at 100kHz before and after 12MeV electron irradiation. Furthermore, we obtained the series resistance values of Au/n-GaP/Al Schottky barrier diodes with the help of different methods. Experimental results confirmed that the electrical characterization of the device changed with the electron irradiation.

Experimental Investigations of the Internal Energy of Molecules Evaporated via Laser-induced Acoustic Desorption into a Fourier-transform Ion Cyclotron Resonance Mass Spectrometer (LIAD/FT-ICR)

PubMed Central

Shea, Ryan C.; Petzold, Christopher J.; Liu, Ji-ang; Kenttämaa, Hilkka I.

2008-01-01

The internal energy of neutral gas-phase organic and biomolecules, evaporated by means of laser-induced acoustic desorption (LIAD) into a Fourier-transform ion cyclotron resonance mass spectrometer (FT-ICR), was investigated through several experimental approaches. The desorbed molecules were demonstrated not to undergo degradation during the desorption process by collecting LIAD-evaporated molecules and subjecting them to analysis by electrospray ionization/quadrupole ion trap mass spectrometry. Previously established gas-phase basicity (GB) values were remeasured for LIAD-evaporated organic molecules and biomolecules with the use of the bracketing method. No endothermic reactions were observed. The remeasured basicity values are in close agreement with the values reported in the literature. The amount of internal energy deposited during LIAD is concluded to be less than a few kcal/mol. Chemical ionization with a series of proton transfer reagents was employed to obtain a breakdown curve for a protonated dipeptide, val-pro, evaporated by LIAD. Comparison of this breakdown curve with a previously published analogous curve obtained by using substrate-assisted laser desorption (SALD) to evaporate the peptide suggests that the molecules evaporated via LIAD have less internal energy than those evaporated via SALD. PMID:17263513

A Comparison of Theory and Experiment for High-speed Free-molecule Flow

NASA Technical Reports Server (NTRS)

Stalder, Jackson R; Goodwin, Glen; Creager, Marcus O

1951-01-01

A comparison is made of free-molecule-flow theory with the results of wind-tunnel tests performed to determine the drag and temperature-rise characteristics of a transverse circular cylinder. The measured values of the cylinder center-point temperature confirmed the salient point of the heat-transfer analysis which was the prediction that an insulated cylinder would attain a temperature higher than the stagnation temperature of the stream. Good agreement was obtained between the theoretical and the experimental values for the drag coefficient.

The scatter of mechanical values of carbon fiber composites and its causes. [statistical values of strength

NASA Technical Reports Server (NTRS)

Roth, S.

1979-01-01

The scatter of experimental data obtained in an investigation of the parameters of structural components was investigated. Strength parameters which are determined by the resin or the adhesion between fiber and resin were included. The statistical characteristics of the mechanical parameters of carbon fiber composites, and the possibilities which exist to reduce this scatter were emphasized. It is found that quality control tests of fiber and resin are important for such a reduction.

A new experimental correlation for non-Newtonian behavior of COOH-DWCNTs/antifreeze nanofluid

NASA Astrophysics Data System (ADS)

Izadi, Farhad; Ranjbarzadeh, Ramin; Kalbasi, Rasool; Afrand, Masoud

2018-04-01

In this paper, the rheological behavior of nano-antifreeze consisting of 50%vol. water, 50%vol. ethylene glycol and different quantities of functionalized double walled carbon nanotubes has been investigated experimentally. Initially, nano-antifreeze samples were prepared with solid volume fractions of 0.05, 0.1, 0.2, 0.4, 0.6, 0.8 and 1% using two-step method. Then, the dynamic viscosity of the nano-antifreeze samples was measured at different shear rates and temperatures. At this stage, the results showed that base fluid had the Newtonian behavior, while the behavior of all nano-antifreeze samples was non-Newtonian. Since the behavior of the samples was similar to power law model, it was attempted to find the constants of this model including consistency index and power law index. Therefore, using the measured viscosity and shear rates, consistency index and power law index were obtained by curve-fitting method. The obtained values showed that consistency index amplified with increasing volume fraction, while reduced with enhancing temperature. Besides, the obtained values for power law index were less than 1 for all samples which means shear thinning behavior. Lastly, new correlations were suggested to estimate the consistency index and power law index using curve-fitting.

Phase separation between nucleoid and cytoplasm in Escherichia coli as defined by immersive refractometry.

PubMed Central

Valkenburg, J A; Woldringh, C L

1984-01-01

The refractive indices of nucleoid and cytoplasm in Escherichia coli were derived theoretically and experimentally. For the theoretical estimates, we made use of the known macromolecular composition of E. coli B/r (G. Churchward and H. Bremer, J. Theor. Biol. 94:651-670, 1982) and of estimates of cell and nucleoid volumes. These were obtained from micrographs of living bacteria made with a confocal scanning light microscope. The theoretical values were calculated, assuming that all DNA occurred in the nucleoid and that all protein and RNA occurred in the cytoplasm. Comparison with experimental refractive index values directly obtained by immersive refractometry showed that, besides its DNA, the nucleoid must contain an additional amount of solids equivalent to 8.6% (wt/vol) protein. With the nucleoid containing 6.8% (wt/vol) DNA and 8.6% (wt/vol) protein and the cytoplasm containing 21% (wt/vol) protein and 4% (wt/vol) RNA, a mass difference is obtained, which accounts for the phase separation observed between the nucleoid and cytoplasm in living cells by phase-contrast microscopy. The decrease in the refractive index of the nucleoid relative to that of the cytoplasm observed upon, for instance, OsO4 fixation was interpreted as being indicative of the loss of protein content in the nucleoid. Images PMID:6389508

An Experimental Weight Function Method for Stress Intensity Factor Calibration.

DTIC Science & Technology

1980-04-01

in accuracy to the ones obtained by Macha (Reference 10) for the laser interferometry technique. The values of KI from the interpolating polynomial...Measurement. Air Force Material Laboratories, AFML-TR-74-75, July 1974. 10. D. E. Macha , W. N. Sharpe Jr., and A. F. Grandt Jr., A Laser Interferometry

Analytical description of changes in the magnetic states of chromium-nickel steel under uniaxial elastic deformation

NASA Astrophysics Data System (ADS)

Gorkunov, E. S.; Yakushenko, E. I.; Zadvorkin, S. M.; Mushnikov, A. N.

2017-12-01

Dependences of magnetization and magnetic permeability of the 15KhN4D structural steel on the value of uniaxial stresses and magnetic field strength are obtained. A polynomial approximation fairly accurately describing the observed changes is proposed on the basis of experimental data.

Electronic contributions to the sigma(p) parameter of the Hammett equation.

PubMed

Domingo, Luis R; Pérez, Patricia; Contreras, Renato

2003-07-25

A statistical procedure to obtain the intrinsic electronic contributions to the Hammett substituent constant sigma(p) is reported. The method is based on the comparison between the experimental sigma(p) values and the electronic electrophilicity index omega evaluated for a series of 42 functional groups commonly present in organic compounds.

The relationship between cellulose nanocrystal dispersion and strength

Treesearch

Yizheng Cao; Pablo Zavattieri; Jeffrey Youngblood; Robert Moon; Jason Weiss

2016-01-01

This paper studies the agglomeration of cellulose nanocrystals (CNCs) and uses ultrasonication to disperse CNCs in cement pastes in an attempt to improve strength. Rheological measurements show that when the concentration of CNCs exceeds 1.35% by volume in deionized water, agglomerates start to develop. This experimental finding is comparable to the value obtained from...

Predissociation and collisional depopulation of the Cs/sub 2/(E) state

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Z.; Huennekens, J.

1984-11-15

We report here an experimental study of depopulation mechanisms of the Cs/sub 2/(E) state. By combining ratios of atomic to molecular fluorescence with E state lifetimes obtained by the phase shift technique, all studied as a function of Cs density, we were able to obtain absolute values for predissociation, radiative, and collisional depopulation rates as well as the total quenching rates for the Cs/sub 2/(E) state. The results are discussed in relation to those of other experiments.

High-quality poly-dispersed mixtures applied in additive 3D technologies.

NASA Astrophysics Data System (ADS)

Gerasimov, M. D.; Brazhnik, Yu V.; Gorshkov, P. S.; Latyshev, S. S.

2018-03-01

The paper describes the new mixer design to obtain high-quality poly-dispersed powders applied in additive 3D technologies. It also considers a new mixing principle of dry powder particles ensuring the distribution of such particles in the total volume, which is close to ideal. The paper presents the mathematical model of mixer operation providing for the quality assessment of the ready mixtures. Besides, it demonstrates experimental results and obtained rational values of mixer process parameters.

Comparison of aldehyde emissions simulation with FTIR measurements in the exhaust of a spark ignition engine fueled by ethanol

NASA Astrophysics Data System (ADS)

Zarante, Paola Helena Barros; Sodré, José Ricardo

2018-07-01

This work presents a numerical simulation model for aldehyde formation and exhaust emissions from ethanol-fueled spark ignition engines. The aldehyde simulation model was developed using FORTRAN software, with the input data obtained from the dedicated engine cycle simulation software AVL BOOST. The model calculates formaldehyde and acetaldehyde concentrations from post-flame partial oxidation of methane, ethane and unburned ethanol. The calculated values were compared with experimental data obtained from a mid-size sedan powered by a 1.4-l spark ignition engine, tested on a chassis dynamometer. Exhaust aldehyde concentrations were determined using a Fourier Transform Infrared (FTIR) Spectroscopy analyzer. In general, the results demonstrate that the concentrations of aldehydes and the source elements increased with engine speed and exhaust gas temperature. The measured acetaldehyde concentrations showed values from 3 to 6 times higher than formaldehyde in the range studied. The model could predict reasonably well the qualitative experimental trends, with the quantitative results showing a maximum discrepancy of 39% for acetaldehyde concentration and 21 ppm for exhaust formaldehyde.

Comparison of aldehyde emissions simulation with FTIR measurements in the exhaust of a spark ignition engine fueled by ethanol

NASA Astrophysics Data System (ADS)

Zarante, Paola Helena Barros; Sodré, José Ricardo

2018-02-01

This work presents a numerical simulation model for aldehyde formation and exhaust emissions from ethanol-fueled spark ignition engines. The aldehyde simulation model was developed using FORTRAN software, with the input data obtained from the dedicated engine cycle simulation software AVL BOOST. The model calculates formaldehyde and acetaldehyde concentrations from post-flame partial oxidation of methane, ethane and unburned ethanol. The calculated values were compared with experimental data obtained from a mid-size sedan powered by a 1.4-l spark ignition engine, tested on a chassis dynamometer. Exhaust aldehyde concentrations were determined using a Fourier Transform Infrared (FTIR) Spectroscopy analyzer. In general, the results demonstrate that the concentrations of aldehydes and the source elements increased with engine speed and exhaust gas temperature. The measured acetaldehyde concentrations showed values from 3 to 6 times higher than formaldehyde in the range studied. The model could predict reasonably well the qualitative experimental trends, with the quantitative results showing a maximum discrepancy of 39% for acetaldehyde concentration and 21 ppm for exhaust formaldehyde.

Optimization and application of influence function in abrasive jet polishing.

PubMed

Li, Zhaoze; Li, Shengyi; Dai, Yifan; Peng, Xiaoqiang

2010-05-20

We analyze the material removal mechanism of abrasive jet polishing (AJP) technology, based on the fluid impact dynamics theory. Combined with the computational fluid dynamics simulation and process experiments, influence functions at different impingement angles are obtained, which are not of a regular Gaussian shape and are unfit for the corrective figuring of optics. The influence function is then optimized to obtain an ideal Gaussian shape by rotating the oblique nozzle, and its stability is validated through a line scanning experiment. The fluctuation of the influence function can be controlled within +/-5%. Based on this, we build a computed numerically controlled experimental system for AJP, and one flat BK7 optical glass with a diameter of 20mm is polished. After two iterations of polishing, the peak-to-valley value decreases from 1.43lambda (lambda=632.8nm in this paper) to 0.294lambda, and the rms value decreases from 0.195lambda to 0.029lambda. The roughness of this polished surface is within 2nm. The experimental result indicates that the optimized influence function is suitable for precision optics figuring and polishing.

Electric field measurement in the dielectric tube of helium atmospheric pressure plasma jet

NASA Astrophysics Data System (ADS)

Sretenović, Goran B.; Guaitella, Olivier; Sobota, Ana; Krstić, Ivan B.; Kovačević, Vesna V.; Obradović, Bratislav M.; Kuraica, Milorad M.

2017-03-01

The results of the electric field measurements in the capillary of the helium plasma jet are presented in this article. Distributions of the electric field for the streamers are determined for different gas flow rates. It is found that electric field strength in front of the ionization wave decreases as it approaches to the exit of the tube. The values obtained under presented experimental conditions are in the range of 5-11 kV/cm. It was found that the increase in gas flow above 1500 SCCM could induce substantial changes in the discharge operation. This is reflected through the formation of the brighter discharge region and appearance of the electric field maxima. Furthermore, using the measured values of the electric field strength in the streamer head, it was possible to estimate electron densities in the streamer channel. Maximal density of 4 × 1011 cm-3 is obtained in the vicinity of the grounded ring electrode. Similar behaviors of the electron density distributions to the distributions of the electric field strength are found under the studied experimental conditions.

Structural phase transition of BeTe: an ab initio molecular dynamics study.

PubMed

Alptekin, Sebahaddin

2017-08-11

Beryllium telluride (BeTe) with cubic zinc-blende (ZB) structure was studied using ab initio constant pressure method under high pressure. The ab initio molecular dynamics (MD) approach for constant pressure was studied and it was found that the first order phase transition occurs from the ZB structure to the nickel arsenide (NiAs) structure. It has been shown that the MD simulation predicts the transition pressure P T more than the value obtained by the static enthalpy and experimental data. The structural pathway reveals MD simulation such as cubic → tetragonal → orthorhombic → monoclinic → orthorhombic → hexagonal, leading the ZB to NiAs phase. The phase transformation is accompanied by a 10% volume drop and at 80 GPa is likely to be around 35 GPa in the experiment. In the present study, our obtained values can be compared with the experimental and theoretical results. Graphical abstract The energy-volume relation and ZB phase for the BeTe.

Comparison of two surface temperature measurement using thermocouples and infrared camera

NASA Astrophysics Data System (ADS)

Michalski, Dariusz; Strąk, Kinga; Piasecka, Magdalena

This paper compares two methods applied to measure surface temperatures at an experimental setup designed to analyse flow boiling heat transfer. The temperature measurements were performed in two parallel rectangular minichannels, both 1.7 mm deep, 16 mm wide and 180 mm long. The heating element for the fluid flowing in each minichannel was a thin foil made of Haynes-230. The two measurement methods employed to determine the surface temperature of the foil were: the contact method, which involved mounting thermocouples at several points in one minichannel, and the contactless method to study the other minichannel, where the results were provided with an infrared camera. Calculations were necessary to compare the temperature results. Two sets of measurement data obtained for different values of the heat flux were analysed using the basic statistical methods, the method error and the method accuracy. The experimental error and the method accuracy were taken into account. The comparative analysis showed that although the values and distributions of the surface temperatures obtained with the two methods were similar but both methods had certain limitations.

Hydrodynamic performance of a single-use aerated stirred bioreactor in animal cell culture: applications of tomography, dynamic gas disengagement (DGD), and CFD.

PubMed

Kazemzadeh, Argang; Elias, Cynthia; Tamer, Melih; Ein-Mozaffari, Farhad

2018-05-01

The hydrodynamics of gas-liquid two-phase flow in a single-use bioreactor were investigated in detail both experimentally and numerically. Electrical resistance tomography (ERT) and dynamic gas disengagement (DGD) combined with computational fluid dynamics (CFD) were employed to assess the effect of the volumetric gas flow rate and impeller speed on the gas-liquid flow field, local and global gas holdup values, and Sauter mean bubble diameter. From the results obtained from DGD coupled with ERT, the bubble sizes were determined. The experimental data indicated that the total gas holdup values increased with increasing both the rotational speed of impeller and volumetric gas flow rate. Moreover, the analysis of the flow field generated inside the aerated stirred bioreactor was conducted using CFD results. Overall, a more uniform distribution of the gas holdup was obtained at impeller speeds ≥ 100 rpm for volumetric gas flow rates ≥ 1.6 × 10 -5  m 3 /s.

Theoretical calculation of the melting curve of Cu-Zr binary alloys

DOE PAGES

Gunawardana, K. G.S.H.; Wilson, S. R.; Mendelev, M. I.; ...

2014-11-14

Helmholtz free energies of the dominant binary crystalline solids found in the Cu-Zr system at high temperatures close to the melting curve are calculated. This theoretical approach combines fundamental measure density functional theory (applied to the hard-sphere reference system) and a perturbative approach to include the attractive interactions. The studied crystalline solids are Cu(fcc), Cu 51Zr 14(β), CuZr(B 2), CuZr 2(C11b), Zr(hcp), and Zr(bcc). The calculated Helmholtz free energies of crystalline solids are in good agreement with results from molecular-dynamics (MD) simulations. Using the same perturbation approach, the liquid phase free energies are calculated as a function of composition andmore » temperature, from which the melting curve of the entire composition range of this system can be obtained. Phase diagrams are determined in this way for two leading embedded atom method potentials, and the results are compared with experimental data. Furthermore, theoretical melting temperatures are compared both with experimental values and with values obtained directly from MD simulations at several compositions.« less

Electrocoagulation efficiency of the tannery effluent treatment using aluminium electrodes.

PubMed

Espinoza-Quiñones, Fernando R; Fornari, Marilda M T; Módenes, Aparecido N; Palácio, Soraya M; Trigueros, Daniela E G; Borba, Fernando H; Kroumov, Alexander D

2009-01-01

An electro-coagulation laboratory scale system using aluminium plates electrodes was studied for the removal of organic and inorganic pollutants as a by-product from leather finishing industrial process. A fractional factorial 2(3) experimental design was applied in order to obtain optimal values of the system state variables. The electro-coagulation (EC) process efficiency was based on the chemical oxygen demand (COD), turbidity, total suspended solid, total fixed solid, total volatile solid, and chemical element concentration values. Analysis of variance (ANOVA) for final pH, total fixed solid (TFS), turbidity and Ca concentration have confirmed the predicted models by the experimental design within a 95% confidence level. The reactor working conditions close to real effluent pH (7.6) and electrolysis time in the range 30-45 min were enough to achieve the cost effective reduction factors of organic and inorganic pollutants' concentrations. An appreciable improvement in COD removal efficiency was obtained for electro-coagulation treatment. Finally, the technical-economical analysis results have clearly shown that the electro-coagulation method is very promising for industrial application.

Experimental Evaluation of a Structure-Based Connectionist Network for Fault Diagnosis of Helicopter Gearboxes

NASA Technical Reports Server (NTRS)

Jammu, V. B.; Danai, K.; Lewicki, D. G.

1998-01-01

This paper presents the experimental evaluation of the Structure-Based Connectionist Network (SBCN) fault diagnostic system introduced in the preceding article. For this vibration data from two different helicopter gearboxes: OH-58A and S-61, are used. A salient feature of SBCN is its reliance on the knowledge of the gearbox structure and the type of features obtained from processed vibration signals as a substitute to training. To formulate this knowledge, approximate vibration transfer models are developed for the two gearboxes and utilized to derive the connection weights representing the influence of component faults on vibration features. The validity of the structural influences is evaluated by comparing them with those obtained from experimental RMS values. These influences are also evaluated ba comparing them with the weights of a connectionist network trained though supervised learning. The results indicate general agreement between the modeled and experimentally obtained influences. The vibration data from the two gearboxes are also used to evaluate the performance of SBCN in fault diagnosis. The diagnostic results indicate that the SBCN is effective in directing the presence of faults and isolating them within gearbox subsystems based on structural influences, but its performance is not as good in isolating faulty components, mainly due to lack of appropriate vibration features.

Influence of Fuel Moisture Content and Reactor Temperature on the Calorific Value of Syngas Resulted from Gasification of Oil Palm Fronds

PubMed Central

Atnaw, Samson Mekbib; Sulaiman, Shaharin Anwar; Yusup, Suzana

2014-01-01

Biomass wastes produced from oil palm mills and plantations include empty fruit bunches (EFBs), shells, fibers, trunks, and oil palm fronds (OPF). EFBs and shells are partially utilized as boiler fuel while the rest of the biomass materials like OPF have not been utilized for energy generation. No previous study has been reported on gasification of oil palm fronds (OPF) biomass for the production of fuel gas. In this paper, the effect of moisture content of fuel and reactor temperature on downdraft gasification of OPF was experimentally investigated using a lab scale gasifier of capacity 50 kW. In addition, results obtained from equilibrium model of gasification that was developed for facilitating the prediction of syngas composition are compared with experimental data. Comparison of simulation results for predicting calorific value of syngas with the experimental results showed a satisfactory agreement with a mean error of 0.1 MJ/Nm3. For a biomass moisture content of 29%, the resulting calorific value for the syngas was found to be only 2.63 MJ/Nm3, as compared to nearly double (4.95 MJ/Nm3) for biomass moisture content of 22%. A calorific value as high as 5.57 MJ/Nm3 was recorded for higher oxidation zone temperature values. PMID:24578617

Influence of fuel moisture content and reactor temperature on the calorific value of syngas resulted from gasification of oil palm fronds.

PubMed

Atnaw, Samson Mekbib; Sulaiman, Shaharin Anwar; Yusup, Suzana

2014-01-01

Biomass wastes produced from oil palm mills and plantations include empty fruit bunches (EFBs), shells, fibers, trunks, and oil palm fronds (OPF). EFBs and shells are partially utilized as boiler fuel while the rest of the biomass materials like OPF have not been utilized for energy generation. No previous study has been reported on gasification of oil palm fronds (OPF) biomass for the production of fuel gas. In this paper, the effect of moisture content of fuel and reactor temperature on downdraft gasification of OPF was experimentally investigated using a lab scale gasifier of capacity 50 kW. In addition, results obtained from equilibrium model of gasification that was developed for facilitating the prediction of syngas composition are compared with experimental data. Comparison of simulation results for predicting calorific value of syngas with the experimental results showed a satisfactory agreement with a mean error of 0.1 MJ/Nm³. For a biomass moisture content of 29%, the resulting calorific value for the syngas was found to be only 2.63 MJ/Nm³, as compared to nearly double (4.95 MJ/Nm³) for biomass moisture content of 22%. A calorific value as high as 5.57 MJ/Nm³ was recorded for higher oxidation zone temperature values.

Lab and Pore-Scale Study of Low Permeable Soils Diffusional Tortuosity

NASA Astrophysics Data System (ADS)

Lekhov, V.; Pozdniakov, S. P.; Denisova, L.

2016-12-01

Diffusion plays important role in contaminant spreading in low permeable units. The effective diffusion coefficient of saturated porous medium depends on this coefficient in water, porosity and structural parameter of porous space - tortuosity. Theoretical models of relationship between porosity and diffusional tortuosity are usually derived for conceptual granular models of medium filled by solid particles of simple geometry. These models usually do not represent soils with complex microstructure. The empirical models, like as Archie's law, based on the experimental electrical conductivity data are mostly useful for practical applications. Such models contain empirical parameters that should be defined experimentally for given soil type. In this work, we compared tortuosity values obtained in lab-scale diffusional experiments and pore scale diffusion simulation for the studied soil microstructure and exanimated relationship between tortuosity and porosity. Samples for the study were taken from borehole cores of low-permeable silt-clay formation. Using the samples of 50 cm3 we performed lab scale diffusional experiments and estimated the lab-scale tortuosity. Next using these samples we studied the microstructure with X-ray microtomograph. Shooting performed on undisturbed microsamples of size 1,53 mm with a resolution ×300 (10243 vox). After binarization of each obtained 3-D structure, its spatial correlation analysis was performed. This analysis showed that the spatial correlation scale of the indicator variogram is considerably smaller than microsample length. Then there was the numerical simulation of the Laplace equation with binary coefficients for each microsamples. The total number of simulations at the finite-difference grid of 1753 cells was 3500. As a result the effective diffusion coefficient, tortuosity and porosity values were obtained for all studied microsamples. The results were analyzed in the form of graph of tortuosity versus porosity. The 6 experimental tortuosity values well agree with pore-scale simulations falling in the general pattern that shows nonlinear decreasing of tortuosity with decreasing of porosity. Fitting this graph by Archie model we found exponent value in the range between 1,8 and 2,4. This work was supported by RFBR via grant 14-05-00409.

Effect of Nano-CuO on Engineering and Microstructure Properties of Fibre-Reinforced Mortars Incorporating Metakaolin: Experimental and Numerical Studies

PubMed Central

Ghanei, Amir; Jafari, Faezeh; Mehrinejad Khotbehsara, Mojdeh; Mohseni, Ehsan; Cui, Hongzhi

2017-01-01

In this study, the effects of nano-CuO (NC) on engineering properties of fibre-reinforced mortars incorporating metakaolin (MK) were investigated. The effects of polypropylene fibre (PP) were also examined. A total of twenty-six mixtures were prepared. The experimental results were compared with numerical results obtained by adaptive neuro-fuzzy inference system (ANFIS) and Primal Estimated sub-GrAdient Solver for SVM (Pegasos) algorithm. Scanning Electron Microscope (SEM) was also employed to investigate the microstructure of the cement matrix. The mechanical test results showed that both compressive and flexural strengths of cement mortars decreased with the increase of MK content, however the strength values increased significantly with increasing NC content in the mixture. The water absorption of samples decreased remarkably with increasing NC particles in the mixture. When PP fibres were added, the strengths of cement mortars were further enhanced accompanied with lower water absorption values. The addition of 2 wt % and 3 wt % nanoparticles in cement mortar led to a positive contribution to strength and resistance to water absorption. Mixture of PP-MK10NC3 indicated the best results for both compressive and flexural strengths at 28 and 90 days. SEM images illustrated that the morphology of cement matrix became more porous with increasing MK content, but the porosity reduced with the inclusion of NC. In addition, it is evident from the SEM images that more cement hydration products adhered onto the surface of fibres, which would improve the fibre–matrix interface. The numerical results obtained by ANFIS and Pegasos were close to the experimental results. The value of R2 obtained for each data set (validate, test and train) was higher than 0.90 and the values of mean absolute percentage error (MAPE) and the relative root mean squared error (PRMSE) were near zero. The ANFIS and Pegasos models can be used to predict the mechanical properties and water absorptions of fibre-reinforced mortars with MK and NC. PMID:29065559

Modeling ferroelectric film properties and size effects from tetragonal interlayer in Hf1-xZrxO2 grains

NASA Astrophysics Data System (ADS)

Künneth, Christopher; Materlik, Robin; Kersch, Alfred

2017-05-01

Size effects from surface or interface energy play a pivotal role in stabilizing the ferroelectric phase in recently discovered thin film Zirconia-Hafnia. However, sufficient quantitative understanding has been lacking due to the interference with the stabilizing effect from dopants. For the important class of undoped Hf1-xZrxO2, a phase stability model based on free energy from Density functional theory (DFT) and surface energy values adapted to the sparse experimental and theoretical data has been successful to describe key properties of the available thin film data. Since surfaces and interfaces are prone to interference, the predictive capability of the model is surprising and directs to a hitherto undetected, underlying reason. New experimental data hint on the existence of an interlayer on the grain surface fixed in the tetragonal phase possibly shielding from external influence. To explore the consequences of such a mechanism, we develop an interface free energy model to include the fixed interlayer, generalize the grain model to include a grain radius distribution, calculate average polarization and permittivity, and compare the model with available experimental data. Since values for interface energies are sparse or uncertain, we obtain its values from minimizing the least square difference between predicted key parameters to experimental data in a global optimization. Since the detailed values for DFT energies depend on the chosen method, we repeat the search for different computed data sets and come out with quantitatively different but qualitatively consistent values for interface energies. The resulting values are physically very reasonable and the model is able to give qualitative prediction. On the other hand, the optimization reveals that the model is not able to fully capture the experimental data. We discuss possible physical effects and directions of research to possibly close this gap.

Ultimate Lateral Capacity of Rigid Pile in c- φ Soil

NASA Astrophysics Data System (ADS)

Zhang, Wei-min

2018-03-01

To date no analytical solution of the pile ultimate lateral capacity for the general c- φ soil has been obtained. In the present study, a new dimensionless embedded ratio was proposed and the analytical solutions of ultimate lateral capacity and rotation center of rigid pile in c- φ soils were obtained. The results showed that both the dimensionless ultimate lateral capacity and dimensionless rotation center were the univariate functions of the embedded ratio. Also, the ultimate lateral capacity in the c- φ soil was the combination of the ultimate lateral capacity ( f c ) in the clay, and the ultimate lateral capacity ( f φ ) in the sand. Therefore, the Broms chart for clay, solution for clay ( φ=0) put forward by Poulos and Davis, solution for sand ( c=0) obtained by Petrasovits and Awad, and Kondner's ultimate bending moment were all proven to be the special cases of the general solution in the present study. A comparison of the field and laboratory tests in 93 cases showed that the average ratios of the theoretical values to the experimental value ranged from 0.85 to 1.15. Also, the theoretical values displayed a good agreement with the test values.

Single-pixel non-imaging object recognition by means of Fourier spectrum acquisition

NASA Astrophysics Data System (ADS)

Chen, Huichao; Shi, Jianhong; Liu, Xialin; Niu, Zhouzhou; Zeng, Guihua

2018-04-01

Single-pixel imaging has emerged over recent years as a novel imaging technique, which has significant application prospects. In this paper, we propose and experimentally demonstrate a scheme that can achieve single-pixel non-imaging object recognition by acquiring the Fourier spectrum. In an experiment, a four-step phase-shifting sinusoid illumination light is used to irradiate the object image, the value of the light intensity is measured with a single-pixel detection unit, and the Fourier coefficients of the object image are obtained by a differential measurement. The Fourier coefficients are first cast into binary numbers to obtain the hash value. We propose a new method of perceptual hashing algorithm, which is combined with a discrete Fourier transform to calculate the hash value. The hash distance is obtained by calculating the difference of the hash value between the object image and the contrast images. By setting an appropriate threshold, the object image can be quickly and accurately recognized. The proposed scheme realizes single-pixel non-imaging perceptual hashing object recognition by using fewer measurements. Our result might open a new path for realizing object recognition with non-imaging.

Ionic conduction and self-diffusion near infinitesimal concentration in lithium salt-organic solvent electrolytes

NASA Astrophysics Data System (ADS)

Aihara, Yuichi; Sugimoto, Kyoko; Price, William S.; Hayamizu, Kikuko

2000-08-01

The Debye-Hückel-Onsager and Nernst-Einstein equations, which are based on two different conceptual approaches, constitute the most widely used equations for relating ionic conduction to ionic mobility. However, both of these classical (simple) equations are predictive of ionic conductivity only at very low salt concentrations. In the present work the ionic conductivity of four organic solvent-lithium salt-based electrolytes were measured. These experimental conductivity values were then contrasted with theoretical values calculated using the translational diffusion (also known as self-diffusion or intradiffusion) coefficients of all of the species present obtained using pulsed-gradient spin-echo (1H, 19F and 7Li) nuclear magnetic resonance self-diffusion measurements. The experimental results verified the applicability of both theoretical approaches at very low salt concentrations for these particular systems as well as helping to clarify the reasons for the divergence between theory and experiment. In particular, it was found that the correspondence between the Debye-Hückel-Onsager equation and experimental values could be improved by using the measured solvent self-diffusion values to correct for salt-induced changes in the solution viscosity. The concentration dependence of the self-diffusion coefficients is discussed in terms of the Jones-Dole equation.

Comparison of Caplan's Irreversible Thermodynamic Theory of Muscle Contraction with Chemical Data

PubMed Central

Bornhorst, W. J.; Minardi, J. E.

1969-01-01

Recently Caplan (1) applied the concepts of irreversible thermodynamics and cybernetics to contracting muscle and derived Hill's force-velocity relation. Wilkie and Woledge (2) then compared Caplan's theory to chemical rates inferred from heat data and concluded that the theory was not consistent with the data. Caplan defended his theory in later papers (3, 4) but without any direct experimental verifications. As Wilkie and Woledge (2) point out, the rate of phosphorylcreatine (PC) breakdown during steady states of shortening has not been observed because of technical difficulties. In this paper it is shown that the rate equations may be directly integrated with time to obtain relations among actual quantities instead of rates. The validity of this integration is based on experimental evidence which indicates that certain combinations of the transport coefficients are constant with muscle length. These equations are then directly compared to experimental data of Cain, Infante, and Davies (5) with the following conclusions: (a) The measured variations of ΔPC for isotonic contractions are almost exactly as predicted by Caplan's theory. (b) The value of the chemical rate ratio, νm/νo, obtained from these data was 3.53 which is close to the value of 3 suggested by Caplan (3). (c) The maximum value of the chemical affinity for PC splitting was found to be 10.6 k cal/mole which is as expected from in vitro measurements (2). Because of the excellent agreement between theory and experiment, we conclude that Caplan's theory definitely warrants further investigation. PMID:5786314

Study of gas-phase O-H bond dissociation enthalpies and ionization potentials of substituted phenols - Applicability of ab initio and DFT/B3LYP methods

NASA Astrophysics Data System (ADS)

Klein, Erik; Lukeš, Vladimír

2006-11-01

In this paper, the study of phenol and 37 compounds representing various ortho-, para-, and meta-substituted phenols is presented. Molecules and their radical structures were studied using ab initio methods with inclusion of correlation energy and DFT in order to calculate the O-H bond dissociation enthalpies (BDEs) and vertical ionization potentials (IPs). Calculated BDEs and IPs were compared with available experimental values to ascertain the suitability of used methods, especially for the description of the substituent induced changes in BDE and IP. MP2, MP3, and MP4 methods do not give reliable results, since they significantly underestimate substituent induced changes in BDE and do not reflect distinct effect of substituents related to para and meta position correctly. DFT/B3LYP method reflects the effect of substituents on BDE satisfactorily, though ΔBDEs are in narrower range than experimental values. BDE of phenol was calculated also using CCSD(T) method in various basis sets. Both, DFT and HF methods describe the effect of substituents on IP identically. However, DFT considerably underestimates individual values. HF method gives IPs in very good agreement with experimental data. Obtained results show that dependences of BDEs and IPs on Hammett constants of the substituents are linear. Linearity of DFT BDE vs. IP dependence is even better than the dependences on Hammett constants and obtained equations allow estimating of O-H BDEs of meta- and para-substituted phenols from calculated IPs.

Validations of calibration-free measurements of electron temperature using double-pass Thomson scattering diagnostics from theoretical and experimental aspects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tojo, H., E-mail: tojo.hiroshi@qst.go.jp; Hiratsuka, J.; Yatsuka, E.

2016-09-15

This paper evaluates the accuracy of electron temperature measurements and relative transmissivities of double-pass Thomson scattering diagnostics. The electron temperature (T{sub e}) is obtained from the ratio of signals from a double-pass scattering system, then relative transmissivities are calculated from the measured T{sub e} and intensity of the signals. How accurate the values are depends on the electron temperature (T{sub e}) and scattering angle (θ), and therefore the accuracy of the values was evaluated experimentally using the Large Helical Device (LHD) and the Tokyo spherical tokamak-2 (TST-2). Analyzing the data from the TST-2 indicates that a high T{sub e} andmore » a large scattering angle (θ) yield accurate values. Indeed, the errors for scattering angle θ = 135° are approximately half of those for θ = 115°. The method of determining the T{sub e} in a wide T{sub e} range spanning over two orders of magnitude (0.01–1.5 keV) was validated using the experimental results of the LHD and TST-2. A simple method to provide relative transmissivities, which include inputs from collection optics, vacuum window, optical fibers, and polychromators, is also presented. The relative errors were less than approximately 10%. Numerical simulations also indicate that the T{sub e} measurements are valid under harsh radiation conditions. This method to obtain T{sub e} can be considered for the design of Thomson scattering systems where there is high-performance plasma that generates harsh radiation environments.« less

Theory-restricted resonant x-ray reflectometry of quantum materials

NASA Astrophysics Data System (ADS)

Fürsich, Katrin; Zabolotnyy, Volodymyr B.; Schierle, Enrico; Dudy, Lenart; Kirilmaz, Ozan; Sing, Michael; Claessen, Ralph; Green, Robert J.; Haverkort, Maurits W.; Hinkov, Vladimir

2018-04-01

The delicate interplay of competing phases in quantum materials is dominated by parameters such as the crystal field potential, the spin-orbit coupling, and, in particular, the electronic correlation strength. Whereas small quantitative variations of the parameter values can thus qualitatively change the material, these values can hitherto hardly be obtained with reasonable precision, be it theoretically or experimentally. Here we propose a solution combining resonant x-ray reflectivity (RXR) with multiplet ligand field theory (MLFT). We first perform ab initio DFT calculations within the MLFT framework to get initial parameter values, which we then use in a fit of the theoretical model to RXR. To validate our method, we apply it to NiO and SrTiO3 and obtain parameter values, which are amended by as much as 20 % compared to the ab initio results. Our approach is particularly useful to investigate topologically trivial and nontrivial correlated insulators, staggered moments in magnetically or orbitally ordered materials, and reconstructed interfaces.

Surface protonation at the rutile (110) interface: explicit incorporation of solvation structure within the refined MUSIC model framework.

PubMed

Machesky, Michael L; Predota, Milan; Wesolowski, David J; Vlcek, Lukas; Cummings, Peter T; Rosenqvist, Jörgen; Ridley, Moira K; Kubicki, James D; Bandura, Andrei V; Kumar, Nitin; Sofo, Jorge O

2008-11-04

The detailed solvation structure at the (110) surface of rutile (alpha-TiO2) in contact with bulk liquid water has been obtained primarily from experimentally verified classical molecular dynamics (CMD) simulations of the ab initio-optimized surface in contact with SPC/E water. The results are used to explicitly quantify H-bonding interactions, which are then used within the refined MUSIC model framework to predict surface oxygen protonation constants. Quantum mechanical molecular dynamics (QMD) simulations in the presence of freely dissociable water molecules produced H-bond distributions around deprotonated surface oxygens very similar to those obtained by CMD with nondissociable SPC/E water, thereby confirming that the less computationally intensive CMD simulations provide accurate H-bond information. Utilizing this H-bond information within the refined MUSIC model, along with manually adjusted Ti-O surface bond lengths that are nonetheless within 0.05 A of those obtained from static density functional theory (DFT) calculations and measured in X-ray reflectivity experiments (as well as bulk crystal values), give surface protonation constants that result in a calculated zero net proton charge pH value (pHznpc) at 25 degrees C that agrees quantitatively with the experimentally determined value (5.4+/-0.2) for a specific rutile powder dominated by the (110) crystal face. Moreover, the predicted pHznpc values agree to within 0.1 pH unit with those measured at all temperatures between 10 and 250 degrees C. A slightly smaller manual adjustment of the DFT-derived Ti-O surface bond lengths was sufficient to bring the predicted pHznpcvalue of the rutile (110) surface at 25 degrees C into quantitative agreement with the experimental value (4.8+/-0.3) obtained from a polished and annealed rutile (110) single crystal surface in contact with dilute sodium nitrate solutions using second harmonic generation (SHG) intensity measurements as a function of ionic strength. Additionally, the H-bond interactions between protolyzable surface oxygen groups and water were found to be stronger than those between bulk water molecules at all temperatures investigated in our CMD simulations (25, 150 and 250 degrees C). Comparison with the protonation scheme previously determined for the (110) surface of isostructural cassiterite (alpha-SnO2) reveals that the greater extent of H-bonding on the latter surface, and in particular between water and the terminal hydroxyl group (Sn-OH) results in the predicted protonation constant for that group being lower than for the bridged oxygen (Sn-O-Sn), while the reverse is true for the rutile (110) surface. These results demonstrate the importance of H-bond structure in dictating surface protonation behavior, and that explicit use of this solvation structure within the refined MUSIC model framework results in predicted surface protonation constants that are also consistent with a variety of other experimental and computational data.

Direct Measurements of Quantum Kinetic Energy Tensor in Stable and Metastable Water near the Triple Point: An Experimental Benchmark.

PubMed

Andreani, Carla; Romanelli, Giovanni; Senesi, Roberto

2016-06-16

This study presents the first direct and quantitative measurement of the nuclear momentum distribution anisotropy and the quantum kinetic energy tensor in stable and metastable (supercooled) water near its triple point, using deep inelastic neutron scattering (DINS). From the experimental spectra, accurate line shapes of the hydrogen momentum distributions are derived using an anisotropic Gaussian and a model-independent framework. The experimental results, benchmarked with those obtained for the solid phase, provide the state of the art directional values of the hydrogen mean kinetic energy in metastable water. The determinations of the direction kinetic energies in the supercooled phase, provide accurate and quantitative measurements of these dynamical observables in metastable and stable phases, that is, key insight in the physical mechanisms of the hydrogen quantum state in both disordered and polycrystalline systems. The remarkable findings of this study establish novel insight into further expand the capacity and accuracy of DINS investigations of the nuclear quantum effects in water and represent reference experimental values for theoretical investigations.

PIC simulations of conical magnetically insulated transmission line with LTD generator: Transition from self-limited to load-limited flow

NASA Astrophysics Data System (ADS)

Liu, Laqun; Wang, Huihui; Guo, Fan; Zou, Wenkang; Liu, Dagang

2017-04-01

Based on the 3-dimensional Particle-In-Cell (PIC) code CHIPIC3D, with a new circuit boundary algorithm we developed, a conical magnetically insulated transmission line (MITL) with a 1.0-MV linear transformer driver (LTD) is explored numerically. The values of switch jitter time of LTD are critical parameters for the system, which are difficult to be measured experimentally. In this paper, these values are obtained by comparing the PIC results with experimental data of large diode-gap MITL. By decreasing the diode gap, we find that all PIC results agree well with experimental data only if MITL works on self-limited flow no matter how large the diode gap is. However, when the diode gap decreases to a threshold, the self-limited flow would transfer to a load-limited flow. In this situation, PIC results no longer agree with experimental data anymore due to the anode plasma expansion in the diode load. This disagreement is used to estimate the plasma expansion speed.

EPR investigation of gamma irradiated single crystal guaifenesin: A combined experimental and computational study

NASA Astrophysics Data System (ADS)

Tasdemir, Halil Ugur; Sayin, Ulku; Türkkan, Ercan; Ozmen, Ayhan

2016-04-01

Gamma irradiated single crystal of Guaifenesin (Glyceryl Guaiacolate), an important expectorant drug, were investigated with Electron Paramagnetic Resonance (EPR) spectroscopy between 123 and 333 K temperature at different orientations in the magnetic field. Considering the chemical structure and the experimental spectra of the gamma irradiated single crystal of guaifenesin sample, we assumed that alkoxy or alkyl-type paramagnetic species may be produced by irradiation. Depending on this assumption, eight possible alkoxy and alkyl-type radicals were modeled and EPR parameters of these modeled radicals were calculated using the B3LYP/6-311++G(d,p)-level of density functional theory (DFT). Theoretically calculated values of alkyl-type modeled radical(R3) are in good agreement with experimentally determined EPR parameters of single crystal. Furthermore, simulation spectra which are obtained by using the theoretical initial values are well matched with the experimental spectra. It was determined that a stable Cα •H2αCβHβCγH2γ (R3) alkyl radical was produced in the host crystal as a result of gamma irradiation.

Assessment of the chromatographic lipophilicity of eight cephalosporins on different stationary phases.

PubMed

Dąbrowska, Monika; Starek, Małgorzata; Komsta, Łukasz; Szafrański, Przemysław; Stasiewicz-Urban, Anna; Opoka, Włodzimierz

2017-04-01

The retention behaviors were investigated for a series of eight cephalosporins in thin-layer chromatography (TLC) using stationary phases of RP-2, RP-8, RP-18, NH 2 , DIOL, and CN chemically bonded silica gel. Additionally, various binary mobile phases (water/methanol and water/acetone) were used in different volume proportions. The retention behavior of the analyzed molecules was defined by R M0 constant. In addition, reversed phase high performance liquid chromatography (RP-HPLC) was performed in lipophilicity studies by using immobilized artificial membrane (IAM) stationary phase. Obtained chromatographic data (R M0 and logk' IAM ) were correlated with the lipophilicity, expressed as values of the log calculated (logP calc ) and experimental (logP exp(shake-flask) ) partition coefficient. Principal component analysis (PCA) was applied in order to obtain an overview of similarity or dissimilarity among the analyzed compounds. Hierarchical cluster analysis (HCA) was performed to compare the separation characteristics of the applied stationary phases. This study was undertaken to identify the best chromatographic system and chromatographic data processing method to enable the prediction of logP values. A comprehensive chromatographic investigation into the retention of the analyzed cephalosporins revealed a similar behavior on RP-18, RP-8 and CN stationary phases. The weak correlations obtained between experimental and certain computed lipophilicity indices revealed that R M0 and PC1/RM are relevant lipophilicity parameters and the RP-8, CN and RP-18 plates are appropriate stationary phases for lipophilicity investigation, whereas computational approaches still cannot fully replace experimentation. Copyright © 2017 Elsevier B.V. All rights reserved.

Sum-over-states density functional perturbation theory: Prediction of reliable 13C, 15N, and 17O nuclear magnetic resonance chemical shifts

NASA Astrophysics Data System (ADS)

Olsson, Lars; Cremer, Dieter

1996-11-01

Sum-over-states density functional perturbation theory (SOS-DFPT) has been used to calculate 13C, 15N, and 17O NMR chemical shifts of 20 molecules, for which accurate experimental gas-phase values are available. Compared to Hartree-Fock (HF), SOS-DFPT leads to improved chemical shift values and approaches the degree of accuracy obtained with second order Møller-Plesset perturbation theory (MP2). This is particularly true in the case of 15N chemical shifts where SOS-DFPT performs even better than MP2. Additional improvements of SOS-DFPT chemical shifts can be obtained by empirically correcting diamagnetic and paramagnetic contributions to compensate for deficiencies which are typical of DFT.

The effects of gamma irradiation on electrical characteristics of Zn/ZnO/n-Si/Au-Sb structure

NASA Astrophysics Data System (ADS)

Salari, M. Abdolahpour; Güzeldir, B.; Saǧlam, M.

2018-02-01

In this research, we have investigated the electrical characteristics of Zn/ZnO/n-Si/Au-Sb structure before and after 60Co gamma (γ)-ray source irradiation with the total dose range of 0-500 kGy at room temperature. Electrical measurements of this structure have been performed using current-voltage (I-V) and capacitance-voltage (C-V) techniques. Experimental results show that the values of the ideality factor obtained from I-V measurements increased and the values of the barrier height obtained from reverse-bias C-V measurements decreased after gamma-irradiation. The results show that the main effect of the radiation is the generation of laterally inhomogeneous defects near the semiconductor surface.

Thermodynamics of surface defects at the aspirin/water interface

NASA Astrophysics Data System (ADS)

Schneider, Julian; Zheng, Chen; Reuter, Karsten

2014-09-01

We present a simulation scheme to calculate defect formation free energies at a molecular crystal/water interface based on force-field molecular dynamics simulations. To this end, we adopt and modify existing approaches to calculate binding free energies of biological ligand/receptor complexes to be applicable to common surface defects, such as step edges and kink sites. We obtain statistically accurate and reliable free energy values for the aspirin/water interface, which can be applied to estimate the distribution of defects using well-established thermodynamic relations. As a show case we calculate the free energy upon dissolving molecules from kink sites at the interface. This free energy can be related to the solubility concentration and we obtain solubility values in excellent agreement with experimental results.

Forecasting impact injuries of unrestrained occupants in railway vehicle passenger compartments.

PubMed

Xie, Suchao; Zhou, Hui

2014-01-01

In order to predict the injury parameters of the occupants corresponding to different experimental parameters and to determine impact injury indices conveniently and efficiently, a model forecasting occupant impact injury was established in this work. The work was based on finite experimental observation values obtained by numerical simulation. First, the various factors influencing the impact injuries caused by the interaction between unrestrained occupants and the compartment's internal structures were collated and the most vulnerable regions of the occupant's body were analyzed. Then, the forecast model was set up based on a genetic algorithm-back propagation (GA-BP) hybrid algorithm, which unified the individual characteristics of the back propagation-artificial neural network (BP-ANN) model and the genetic algorithm (GA). The model was well suited to studies of occupant impact injuries and allowed multiple-parameter forecasts of the occupant impact injuries to be realized assuming values for various influencing factors. Finally, the forecast results for three types of secondary collision were analyzed using forecasting accuracy evaluation methods. All of the results showed the ideal accuracy of the forecast model. When an occupant faced a table, the relative errors between the predicted and experimental values of the respective injury parameters were kept within ± 6.0 percent and the average relative error (ARE) values did not exceed 3.0 percent. When an occupant faced a seat, the relative errors between the predicted and experimental values of the respective injury parameters were kept within ± 5.2 percent and the ARE values did not exceed 3.1 percent. When the occupant faced another occupant, the relative errors between the predicted and experimental values of the respective injury parameters were kept within ± 6.3 percent and the ARE values did not exceed 3.8 percent. The injury forecast model established in this article reduced repeat experiment times and improved the design efficiency of the internal compartment's structure parameters, and it provided a new way for assessing the safety performance of the interior structural parameters in existing, and newly designed, railway vehicle compartments.

A novel evaluation method for extrapolated retention factor in determination of n-octanol/water partition coefficient of halogenated organic pollutants by reversed-phase high performance liquid chromatography.

PubMed

Han, Shu-ying; Liang, Chao; Qiao, Jun-qin; Lian, Hong-zhen; Ge, Xin; Chen, Hong-yuan

2012-02-03

The retention factor corresponding to pure water in reversed-phase high performance liquid chromatography (RP-HPLC), k(w), was commonly obtained by extrapolation of retention factor (k) in a mixture of organic modifier and water as mobile phase in tedious experiments. In this paper, a relationship between logk(w) and logk for directly determining k(w) has been proposed for the first time. With a satisfactory validation, the approach was confirmed to enable easy and accurate evaluation of k(w) for compounds in question with similar structure to model compounds. Eight PCB congeners with different degree of chlorination were selected as a training set for modeling the logk(w)-logk correlation on both silica-based C(8) and C(18) stationary phases to evaluate logk(w) of sample compounds including seven PCB, six PBB and eight PBDE congeners. These eight model PCBs were subsequently combined with seven structure-similar benzene derivatives possessing reliable experimental K(ow) values as a whole training set for logK(ow)-logk(w) regressions on the two stationary phases. Consequently, the evaluated logk(w) values of sample compounds were used to determine their logK(ow) by the derived logK(ow)-logk(w) models. The logK(ow) values obtained by these evaluated logk(w) were well comparable with those obtained by experimental-extrapolated logk(w), demonstrating that the proposed method for logk(w) evaluation in this present study could be an effective means in lipophilicity study of environmental contaminants with numerous congeners. As a result, logK(ow) data of many PCBs, PBBs and PBDEs could be offered. These contaminants are considered to widely exist in the environment, but there have been no reliable experimental K(ow) data available yet. Copyright © 2011 Elsevier B.V. All rights reserved.

A Comparison of Analytical and Experimental Data for a Magnetic Actuator

NASA Technical Reports Server (NTRS)

Groom, Nelson J.; Bloodgood, V. Dale, Jr.

2000-01-01

Theoretical and experimental force-displacement and force-current data are compared for two configurations of a simple horseshoe, or bipolar, magnetic actuator. One configuration utilizes permanent magnet wafers to provide a bias flux and the other configuration has no source of bias flux. The theoretical data are obtained from two analytical models of each configuration. One is an ideal analytical model which is developed under the following assumptions: (1) zero fringing and leakage flux, (2) zero actuator coil mmf loss, and (3) infinite permeability of the actuator core and suspended element flux return path. The other analytical model, called the extended model, is developed by adding loss and leakage factors to the ideal model. The values of the loss and leakage factors are calculated from experimental data. The experimental data are obtained from a magnetic actuator test fixture, which is described in detail. Results indicate that the ideal models for both configurations do not match the experimental data very well. However, except for the range around zero force, the extended models produce a good match. The best match is produced by the extended model of the configuration with permanent magnet flux bias.

Experimental study and FEM simulation of the simple shear test of cylindrical rods

NASA Astrophysics Data System (ADS)

Wirti, Pedro H. B.; Costa, André L. M.; Misiolek, Wojciech Z.; Valberg, Henry S.

2018-05-01

In the presented work an experimental simple shear device for cutting cylindrical rods was used to obtain force-displacement data for a low-carbon steel. In addition, and FEM 3D-simulation was applied to obtain internal shear stress and strain maps for this material. The experimental longitudinal grid patterns and force-displacement curve were compared with numerical simulation results. Many aspects of the elastic and plastic deformations were described. It was found that bending reduces the shear yield stress of the rod material. Shearing starts on top and bottom die-workpiece contact lines evolving in an arc-shaped area. Due to this geometry, stress concentrates on the surface of the rod until the level of damage reaches the critical value and the fracture starts here. The volume of material in the plastic zone subjected to shearing stress has a very complex shape and is function of a dimensionless geometrical parameter. Expressions to calculate the true shear stress τ and strain γ from the experimental force-displacement data were proposed. The equations' constants are determined by fitting the experimental curve with the stress τ and strain γ simulation point tracked data.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Herraiz, Joaquin Lopez

Experimental coincidence cross section and transverse-longitudinal asymmetry ATL have been obtained for the quasielastic (e,e'p) reaction in 16O, 12C, and {sup 208}Pb in constant q-ω kinematics in the missing momentum range -350 < p miss < 350 MeV/c. In these experiments, performed in experimental Hall A of the Thomas Jefferson National Accelerator Facility (JLAB), the beam energy and the momentum and angle of the scattered electrons were kept fixed, while the angle between the proton momentum and the momentum transfer q was varied in order to map out the missing momentum distribution. The experimental cross section and A TL asymmetrymore » have been compared with Monte Carlo simulations based on Distorted Wave Impulse Approximation (DWIA) calculations with both relativistic and non-relativistic spinor structure. The spectroscopic factors obtained for both models are in agreement with previous experimental values, while A TL measurements favor the relativistic DWIA calculation. This thesis describes the details of the experimental setup, the calibration of the spectrometers, the techniques used in the data analysis to derive the final cross sections and the A TL, the ingredients of the theoretical calculations employed and the comparison of the results with the simulations based on these theoretical models.« less

Dynamic response of sand particles impacted by a rigid spherical object

NASA Astrophysics Data System (ADS)

Youplao, P.; Takita, A.; Nasbey, H.; Yupapin, P. P.; Fujii, Y.

2018-06-01

A method for measuring the dynamic impact responses that acting on a spherical object while dropping and colliding with dried sand, such as the velocity, displacement, acceleration, and resultant force, is presented and discussed. In the experiment, a Michelson-type laser interferometer is employed to obtain the velocity of the spherical stainless steel object. Then the obtained time velocity profile is used to calculate the acceleration, the displacement, and the inertial force acting on the observed sand particles. Furthermore, a high-speed camera is employed to observe the behavior of the sand during the collision. From the experimental results with the sampling interval for frequencies calculation of 1 ms, the combined standard uncertainty in the instantaneous value of the impact force acts on the observed object is obtained and approximated to 0.49 N, which is related to a corresponding 4.07% of the maximum value at 12.05 N of the impact force.

Description of an aircraft lightning and simulated nuclear electromagnetic pulse (NEMP) threat based on experimental data

NASA Technical Reports Server (NTRS)

Rustan, Pedro L., Jr.

1987-01-01

Lightning data obtained by measuring the surface electromagnetic fields on a CV-580 research aircraft during 48 lightning strikes between 1500 and 18,000 feet in central Florida during the summers of 1984 and 1985, and nuclear electromagnetic pulse (NEMP) data obtained by surface electromagnetic field measurements using a 1:74 CV-580 scale model, are presented. From one lightning event, maximum values of 3750 T/s for the time rate of change of the surface magnetic flux density, and 4.7 kA for the peak current, were obtained. From the simulated NEMP test, maximum values of 40,000 T/s for the time rate of change of the surface magnetic flux density, and 90 A/sq m for the total normal current density, were found. The data have application to the development of a military aircraft lightning/NEMP standard.

Nonlinear mathematical modeling and sensitivity analysis of hydraulic drive unit

NASA Astrophysics Data System (ADS)

Kong, Xiangdong; Yu, Bin; Quan, Lingxiao; Ba, Kaixian; Wu, Liujie

2015-09-01

The previous sensitivity analysis researches are not accurate enough and also have the limited reference value, because those mathematical models are relatively simple and the change of the load and the initial displacement changes of the piston are ignored, even experiment verification is not conducted. Therefore, in view of deficiencies above, a nonlinear mathematical model is established in this paper, including dynamic characteristics of servo valve, nonlinear characteristics of pressure-flow, initial displacement of servo cylinder piston and friction nonlinearity. The transfer function block diagram is built for the hydraulic drive unit closed loop position control, as well as the state equations. Through deriving the time-varying coefficient items matrix and time-varying free items matrix of sensitivity equations respectively, the expression of sensitivity equations based on the nonlinear mathematical model are obtained. According to structure parameters of hydraulic drive unit, working parameters, fluid transmission characteristics and measured friction-velocity curves, the simulation analysis of hydraulic drive unit is completed on the MATLAB/Simulink simulation platform with the displacement step 2 mm, 5 mm and 10 mm, respectively. The simulation results indicate that the developed nonlinear mathematical model is sufficient by comparing the characteristic curves of experimental step response and simulation step response under different constant load. Then, the sensitivity function time-history curves of seventeen parameters are obtained, basing on each state vector time-history curve of step response characteristic. The maximum value of displacement variation percentage and the sum of displacement variation absolute values in the sampling time are both taken as sensitivity indexes. The sensitivity indexes values above are calculated and shown visually in histograms under different working conditions, and change rules are analyzed. Then the sensitivity indexes values of four measurable parameters, such as supply pressure, proportional gain, initial position of servo cylinder piston and load force, are verified experimentally on test platform of hydraulic drive unit, and the experimental research shows that the sensitivity analysis results obtained through simulation are approximate to the test results. This research indicates each parameter sensitivity characteristics of hydraulic drive unit, the performance-affected main parameters and secondary parameters are got under different working conditions, which will provide the theoretical foundation for the control compensation and structure optimization of hydraulic drive unit.

The equivalence of numbers: The social value of avoiding health decline: An experimental web-based study

PubMed Central

Schwappach, David LB

2002-01-01

Background Health economic analysis aimed at informing policy makers and supporting resource allocation decisions has to evaluate not only improvements in health but also avoided decline. Little is known however, whether the "direction" in which changes in health are experienced is important for the public in prioritizing among patients. This experimental study investigates the social value people place on avoiding (further) health decline when directly compared to curative treatments in resource allocation decisions. Methods 127 individuals completed an interactive survey that was published in the World Wide Web. They were confronted with a standard gamble (SG) and three person trade-off tasks, either comparing improvements in health (PTO-Up), avoided decline (PTO-Down), or both, contrasting health changes of equal magnitude differing in the direction in which they are experienced (PTO-WAD). Finally, a direct priority ranking of various interventions was obtained. Results Participants strongly prioritized improving patients' health rather than avoiding decline. The mean substitution rate between health improvements and avoided decline (WAD) ranged between 0.47 and 0.64 dependent on the intervention. Weighting PTO values according to the direction in which changes in health are experienced improved their accuracy in predicting a direct prioritization ranking. Health state utilities obtained by the standard gamble method seem not to reflect social values in resource allocation contexts. Conclusion Results suggest that the utility of being cured of a given health state might not be a good approximation for the societal value of avoiding this health state, especially in cases of competition between preventive and curative interventions. PMID:11879529

Direct microscopic image and measurement of the atomization process of a port fuel injector

NASA Astrophysics Data System (ADS)

Esmail, Mohamed; Kawahara, Nobuyuki; Tomita, Eiji; Sumida, Mamoru

2010-07-01

The main objective of this study is to observe and investigate the phenomena of atomization, i.e. the fuel break-up process very close to the nozzle exit of a practical port fuel injector (PFI). In order to achieve this objective, direct microscopic images of the atomization process were obtained using an ultra-high-speed video camera that could record 102 frames at rates of up to 1 Mfps, coupled with a long-distance microscope and Barlow lens. The experiments were carried out using a PFI in a closed chamber at atmospheric pressure. Time-series images of the spray behaviour were obtained with a high temporal resolution using backlighting. The direct microscopic images of a liquid column break-up were compared with experimental results from laser-induced exciplex fluorescence (LIEF), and the wavelength obtained from the experimental results compared with that predicated from the Kelvin-Helmholtz break-up model. The droplet size diameters from a ligament break-up were compared with results predicated from Weber's analysis. Furthermore, experimental results of the mean droplet diameter from a direct microscopic image were compared with the results obtained from phase Doppler anemometry (PDA) experimental results. Three conclusions were obtained from this study. The atomization processes and detailed characterizations of the break-up of a liquid column were identified; the direct microscopic image results were in good agreement with the results obtained from LIEF, experimental results of the wavelength were in good agreement with those from the Kelvin-Helmholtz break-up model. The break-up process of liquid ligaments into droplets was investigated, and Weber's analysis of the predicated droplet diameter from ligament break-up was found to be applicable only at larger wavelengths. Finally, the direct microscopic image method and PDA method give qualitatively similar trends for droplet size distribution and quantitatively similar values of Sauter mean diameter.

Use of Chemi-Ionization to Calculate Temperature of Hydrocarbon Flame

NASA Astrophysics Data System (ADS)

Shaikin, A. P.; Galiev, I. R.

2018-04-01

In the present paper, we have experimentally studied the dependences of the maximum temperature of the hydrocarbon flame on the electron current (due to the flame chemi-ionization), the width of the turbulent combustion zone, and the amount and composition of the air-fuel mixture in the combustion chamber of variable volume. Based on the proposed formula, we have been also able to estimate the temperature and compare with its experimental value showing that the convergence has been more than 85% at an excess air factor value ranging from 0.8 to 1.15. The obtained results can be used to predict and monitor the maximum flame temperature in the combustion chamber of an internal combustion engine and other power plants by using the ionization probe.

Stabilization of Taylor-Couette flow due to time-periodic outer cylinder oscillation

NASA Technical Reports Server (NTRS)

Murray, B. T.; Mcfadden, G. B.; Coriell, S. R.

1990-01-01

The linear stability of circular Couette flow between concentric infinite cylinders is considered for the case when the inner cylinder is rotated at a constant angular velocity and the outer cylinder is driven sinusoidally in time with zero mean rotation. This configuration was studied experimentally by Walsh and Donnelly. The critical Reynolds numbers calculated from linear stability theory agree well with the experimental values, except at large modulation amplitudes and small frequencies. The theoretical values are obtained using Floquet theory implemented in two distinct approaches: a truncated Fourier series representation in time, and a fundamental solution matrix based on a Chebyshev pseudospectral representation in space. For large amplitude, low frequency modulation, the linear eigenfunctions are temporally complex, consisting of a quiescent region followed by rapid change in the perturbed flow velocities.

Turbulent eddy diffusion models in exposure assessment - Determination of the eddy diffusion coefficient.

PubMed

Shao, Yuan; Ramachandran, Sandhya; Arnold, Susan; Ramachandran, Gurumurthy

2017-03-01

The use of the turbulent eddy diffusion model and its variants in exposure assessment is limited due to the lack of knowledge regarding the isotropic eddy diffusion coefficient, D T . But some studies have suggested a possible relationship between D T and the air changes per hour (ACH) through a room. The main goal of this study was to accurately estimate D T for a range of ACH values by minimizing the difference between the concentrations measured and predicted by eddy diffusion model. We constructed an experimental chamber with a spatial concentration gradient away from the contaminant source, and conducted 27 3-hr long experiments using toluene and acetone under different air flow conditions (0.43-2.89 ACHs). An eddy diffusion model accounting for chamber boundary, general ventilation, and advection was developed. A mathematical expression for the slope based on the geometrical parameters of the ventilation system was also derived. There is a strong linear relationship between D T and ACH, providing a surrogate parameter for estimating D T in real-life settings. For the first time, a mathematical expression for the relationship between D T and ACH has been derived that also corrects for non-ideal conditions, and the calculated value of the slope between these two parameters is very close to the experimentally determined value. The values of D T obtained from the experiments are generally consistent with values reported in the literature. They are also independent of averaging time of measurements, allowing for comparison of values obtained from different measurement settings. These findings make the use of turbulent eddy diffusion models for exposure assessment in workplace/indoor environments more practical.

Ethical issues in field research: balancing competing values.

PubMed

O'Neill, P

1990-04-01

An ethical issue becomes a dilemma when the psychologist is pulled in different directions by competing values. This paper will focus on the conflict between experimental and ethical values inherent in field research. The problem has special significance in community psychology, which gives priority to studying, in natural settings, those affected by social problems. An example is given of research that required observation of family interaction in the homes of convicted child abusers. The case demonstrates that the value of ecological validity often conflicts with the need to protect privacy and obtain uncoerced consent. Other ethical constraints, including the duty to report lawbreaking and to protect the public from harm, may threaten research validity.

Variability of Young’s modulus and Poisson’s ratio of hexagonal crystals

NASA Astrophysics Data System (ADS)

Komarova, M. A.; Gorodtsov, V. A.; Lisovenko, D. S.

2018-04-01

In this paper, the variability of elastic characteristics (Young’s modulus and Poisson’s ratio) of hexagonal crystals has been studied. Analytic expressions for Young’s modulus and Poisson’s ratio are obtained. Stationary values for these elastic characteristics are found. Young’s modulus has three stationary values, and Poisson’s ratio has eight stationary values. Numerical analysis of these elastic characteristics for hexagonal crystals is given based on the experimental data from the Landolt-Börnstein handbook. Global extrema of Young’s modulus and Poisson’s ratio for hexagonal crystals are found. Crystals are found in which the maximum values exceeds the upper limit for isotropic materials.

A Study of Poisson's Ratio in the Yield Region

NASA Technical Reports Server (NTRS)

Gerard, George; Wildhorn, Sorrel

1952-01-01

In the yield region of the stress-strain curve the variation in Poisson's ratio from the elastic to the plastic value is most pronounced. This variation was studied experimentally by a systematic series of tests on several aluminum alloys. The tests were conducted under simple tensile and compressive loading along three orthogonal axes. A theoretical variation of Poisson's ratio for an orthotropic solid was obtained from dilatational considerations. The assumptions used in deriving the theory were examined by use of the test data and were found to be in reasonable agreement with experimental evidence.

Analysis of Flexural Fatigue Strength of Self Compacting Fibre Reinforced Concrete Beams

NASA Astrophysics Data System (ADS)

Murali, G.; Sudar Celestina, J. P. Arul; Subhashini, N.; Vigneshwari, M.

2017-07-01

This study presents the extensive statistical investigation ofvariations in flexural fatigue life of self-compacting Fibrous Concrete (FC) beams. For this purpose, the experimental data of earlier researchers were examined by two parameter Weibull distribution.Two methods namely Graphical and moment wereused to analyse the variations in experimental data and the results have been presented in the form of probability of survival. The Weibull parameters values obtained from graphical and method of moments are precise. At 0.7 stress level, the fatigue life shows 59861 cyclesfor areliability of 90%.

A study of cumulative fatigue damage in titanium 6Al-4V alloy

NASA Technical Reports Server (NTRS)

Jeelani, S.; Ghebremedhin, S.; Musial, M.

1986-01-01

Experimental data were obtained using titanium 6Al-4V alloy under stress ratios of -1, 0, and negative infinity. A study of cumulative fatigue damage using Miner's (1945) and Kramer's (1974) equations for stress ratios of -1 and 0 for low-high, low-high mixed, high-low, and high-low mixed stress sequences has revealed close agreement between the theoretical and experimental values of fatigue damage and fatigue life. Kramer's equation predicts less conservative and more realistic cumulative fatigue damage than does the popularly used Miner's rule.

Experimental damping-in-pitch of two slender cones at Mach 2 and incidences up to 30 deg

NASA Technical Reports Server (NTRS)

Iyenger, S.

1972-01-01

Oscillatory experiments were performed on two slender cones at Mach 2 and incidences up to 30 deg, using three different experimental arrangements. The damping-in-pitch was found to remain constant at incidences of up to a value approximately corresponding to the cone semi-angle, after which an almost linear increase with incidence was noted. The results obtained with the different techniques were in very good agreement up to an incidence of 15 deg and in some cases up to 25 deg.

All-optical computation system for solving differential equations based on optical intensity differentiator.

PubMed

Tan, Sisi; Wu, Zhao; Lei, Lei; Hu, Shoujin; Dong, Jianji; Zhang, Xinliang

2013-03-25

We propose and experimentally demonstrate an all-optical differentiator-based computation system used for solving constant-coefficient first-order linear ordinary differential equations. It consists of an all-optical intensity differentiator and a wavelength converter, both based on a semiconductor optical amplifier (SOA) and an optical filter (OF). The equation is solved for various values of the constant-coefficient and two considered input waveforms, namely, super-Gaussian and Gaussian signals. An excellent agreement between the numerical simulation and the experimental results is obtained.

High-pressure phase transitions - Examples of classical predictability

NASA Astrophysics Data System (ADS)

Celebonovic, Vladan

1992-09-01

The applicability of the Savic and Kasanin (1962-1967) classical theory of dense matter to laboratory experiments requiring estimates of high-pressure phase transitions was examined by determining phase transition pressures for a set of 19 chemical substances (including elements, hydrocarbons, metal oxides, and salts) for which experimental data were available. A comparison between experimental and transition points and those predicted by the Savic-Kasanin theory showed that the theory can be used for estimating values of transition pressures. The results also support conclusions obtained in previous astronomical applications of the Savic-Kasanin theory.

Spectroscopy peculiarities of thermal plasma of electric arc discharge between electrodes with Zn admixtures

NASA Astrophysics Data System (ADS)

Semenyshyn, R. V.; Veklich, A. N.; Babich, I. L.; Boretskij, V. F.

2014-10-01

Plasma of the free burning electric arc between Ag-SnO2-ZnO composite electrodes as well as brass electrodes were investigated. The plasma temperature distributions were obtained by Boltzmann plot method involving Cu I, Ag I or Zn I spectral line emissions. The electron density distributions were obtained from the width and from absolute intensity of spectral lines. The laser absorption spectroscopy was used for measurement of copper atom concentration in plasma. Plasma equilibrium composition was calculated using two independent groups of experimental values (temperature and copper atom concentration, temperature and electron density). It was found that plasma of the free burning electric arc between brass electrodes is in local thermodynamical equilibrium. The experimental verification of the spectroscopic data of Zn I spectral lines was carried out.

Lift distribution and velocity field measurements for a three-dimensional, steady blade/vortex interaction

NASA Technical Reports Server (NTRS)

Dunagan, Stephen E.; Norman, Thomas R.

1987-01-01

A wind tunnel experiment simulating a steady three-dimensional helicopter rotor blade/vortex interaction is reported. The experimental configuration consisted of a vertical semispan vortex-generating wing, mounted upstream of a horizontal semispan rotor blade airfoil. A three-dimensional laser velocimeter was used to measure the velocity field in the region of the blade. Sectional lift coefficients were calculated by integrating the velocity field to obtain the bound vorticity. Total lift values, obtained by using an internal strain-gauge balance, verified the laser velocimeter data. Parametric variations of vortex strength, rotor blade angle of attack, and vortex position relative to the rotor blade were explored. These data are reported (with attention to experimental limitations) to provide a dataset for the validation of analytical work.

Temperature dependence of the kinetic energy in the Zr40Be60 amorphous alloy

NASA Astrophysics Data System (ADS)

Syrykh, G. F.; Stolyarov, A. A.; Krzystyniak, M.; Romanelli, G.; Sadykov, R. A.

2017-05-01

The average kinetic energy < E(T)> of the atomic nucleus for each element of the amorphous alloy Zr40Be60 in the temperature range 10-300 K has been measured for the first time using VESUVIO spectrometer (ISIS). The experimental values of < E(T)> have been compared to the partial ZrBe spectra refined by a recursion method based on the data obtained with thermal neutron scattering. The satisfactory agreement has been reached with the calculations using partial spectra based on thermal neutron spectra obtained with recursion method. In addition, the experimental data have been compared to the Debye model. The measurements at different temperatures (10, 200, and 300 K) will provide an opportunity to evaluate the significance of anharmonicity in the dynamics of metallic glasses.

[The significance of low-frequency magnetotherapy for local treatment of burns. An experimental comparative approach (author's transl)].

PubMed

Sauer, H D; Rudy, D

1980-02-01

Under standardized experimental conditions 3rd degree burns were produced on the neck of 241 Wistar-rats. The process of wound-healing was documented by means of planimetric, histologic and microbiologic methods. In comparison to an untreated control-group the effectiveness of low-frequency magnetotherapy (system magnetodyn 5 by W. Krauss) as well as coagulation of necrosis according to Grob and autologous skin-transplantation were studied. The results obtained indicate that only early debridement of necrosis and subsequent autologous skin-grafting guarantees sufficient acceleration of wound healing. The low-frequency magnetotherapy according to Krauss showed no effect of therapeutic value. With the coagulation of necrosis, as described by Grob, a germfree status under the necrosis was obtained for nearly 2 weeks.

Physical and optical properties of DCJTB dye for OLED display applications: Experimental and theoretical investigation

NASA Astrophysics Data System (ADS)

Kurban, Mustafa; Gündüz, Bayram

2017-06-01

In this study, 4-(dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran (DCJTB) was achieved using the experimental and theoretical studies. The electronic, optical and spectroscopic properties of DCJTB molecule were first investigated by performing experimental both solution and thin film techniques and then theoretical calculations. Theoretical results showed that one intense electronic transition is 505.26 nm a quite reasonable and agreement with the measured experimental data 505.00 and 503 nm with solution technique and film technique, respectively. Experimental and simple models were also taken into consideration to calculate the optical refractive index (n) of DCJTB molecule. The structural and electronic properties were next calculated using density functional theory (DFT) with B3LYP/6-311G (d, p) basis set. UV, FT-IR spectra characteristics and the electronic properties, such as frontier orbitals, and band gap energy (Eg) of DCJTB were also recorded time-dependent (TD) DFT approach. The theoretical Eg value were found to be 2.269 eV which is consistent with experimental results obtained from solution technique for THF solvent (2.155 eV) and literature (2.16 eV). The results herein obtained reveal that solution is simple, cost-efficient and safe for optoelectronic applications when compared with film technique.

Gaseous Sulfate Solubility in Glass: Experimental Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bliss, Mary

2013-11-30

Sulfate solubility in glass is a key parameter in many commercial glasses and nuclear waste glasses. This report summarizes key publications specific to sulfate solubility experimental methods and the underlying physical chemistry calculations. The published methods and experimental data are used to verify the calculations in this report and are expanded to a range of current technical interest. The calculations and experimental methods described in this report will guide several experiments on sulfate solubility and saturation for the Hanford Waste Treatment Plant Enhanced Waste Glass Models effort. There are several tables of sulfate gas equilibrium values at high temperature tomore » guide experimental gas mixing and to achieve desired SO3 levels. This report also describes the necessary equipment and best practices to perform sulfate saturation experiments for molten glasses. Results and findings will be published when experimental work is finished and this report is validated from the data obtained.« less

The generalized liquid drop model alpha-decay formula: Predictability analysis and superheavy element alpha half-lives

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dasgupta-Schubert, N.; Reyes, M.A.

2007-11-15

The predictive accuracy of the generalized liquid drop model (GLDM) formula for alpha-decay half-lives has been investigated in a detailed manner and a variant of the formula with improved coefficients is proposed. The method employs the experimental alpha half-lives of the well-known alpha standards to obtain the coefficients of the analytical formula using the experimental Q{sub {alpha}} values (the DSR-E formula), as well as the finite range droplet model (FRDM) derived Q{sub {alpha}} values (the FRDM-FRDM formula). The predictive accuracy of these formulae was checked against the experimental alpha half-lives of an independent set of nuclei (TEST) that span approximatelymore » the same Z, A region as the standards and possess reliable alpha spectroscopic data, and were found to yield good results for the DSR-E formula but not for the FRDM-FRDM formula. The two formulae were used to obtain the alpha half-lives of superheavy elements (SHE) and heavy nuclides where the relative accuracy was found to be markedly improved for the FRDM-FRDM formula, which corroborates the appropriateness of the FRDM masses and the GLDM prescription for high Z, A nuclides. Further improvement resulted, especially for the FRDM-FRDM formula, after a simple linear optimization over the calculated and experimental half-lives of TEST was used to re-calculate the half-lives of the SHE and heavy nuclides. The advantage of this optimization was that it required no re-calculation of the coefficients of the basic DSR-E or FRDM-FRDM formulae. The half-lives for 324 medium-mass to superheavy alpha decaying nuclides, calculated using these formulae and the comparison with experimental half-lives, are presented.« less

Data Processing Algorithm for Diagnostics of Combustion Using Diode Laser Absorption Spectrometry.

PubMed

Mironenko, Vladimir R; Kuritsyn, Yuril A; Liger, Vladimir V; Bolshov, Mikhail A

2018-02-01

A new algorithm for the evaluation of the integral line intensity for inferring the correct value for the temperature of a hot zone in the diagnostic of combustion by absorption spectroscopy with diode lasers is proposed. The algorithm is based not on the fitting of the baseline (BL) but on the expansion of the experimental and simulated spectra in a series of orthogonal polynomials, subtracting of the first three components of the expansion from both the experimental and simulated spectra, and fitting the spectra thus modified. The algorithm is tested in the numerical experiment by the simulation of the absorption spectra using a spectroscopic database, the addition of white noise, and the parabolic BL. Such constructed absorption spectra are treated as experimental in further calculations. The theoretical absorption spectra were simulated with the parameters (temperature, total pressure, concentration of water vapor) close to the parameters used for simulation of the experimental data. Then, spectra were expanded in the series of orthogonal polynomials and first components were subtracted from both spectra. The value of the correct integral line intensities and hence the correct temperature evaluation were obtained by fitting of the thus modified experimental and simulated spectra. The dependence of the mean and standard deviation of the evaluation of the integral line intensity on the linewidth and the number of subtracted components (first two or three) were examined. The proposed algorithm provides a correct estimation of temperature with standard deviation better than 60 K (for T = 1000 K) for the line half-width up to 0.6 cm -1 . The proposed algorithm allows for obtaining the parameters of a hot zone without the fitting of usually unknown BL.

DETERMINATION OF HEAT TRANSFER COEFFICIENTS FOR FRENCH PLASTIC SEMEN STRAW SUSPENDED IN STATIC NITROGEN VAPOR OVER LIQUID NITROGEN.

PubMed

Santo, M V; Sansinena, M; Chirife, J; Zaritzky, N

2015-01-01

The use of mathematical models describing heat transfer during the freezing process is useful for the improvement of cryopreservation protocols. A widespread practice for cryopreservation of spermatozoa of domestic animal species consists of suspending plastic straws in nitrogen vapor before plunging into liquid nitrogen. Knowledge of surface heat transfer coefficient (h) is mandatory for computational modelling; however, h values for nitrogen vapor are not available. In the present study, surface heat transfer coefficients for plastic French straws immersed in nitrogen vapor over liquid nitrogen was determined; vertical and horizontal positions were considered. Heat transfer coefficients were determined from the measurement of time-temperature curves and from numerical solution of heat transfer partial differential equation under transient conditions using finite elements. The h values experimentally obtained for horizontal and vertically placed straws were compared to those calculated using correlations based on the Nusselt number for natural convection. For horizontal straws the average obtained value was h=12.5 ± 1.2 W m(2) K and in the case of vertical straws h=16 ± 2.48 W m(2) K. The numerical simulation validated against experimental measurements, combined with accurate h values provides a reliable tool for the prediction of freezing curves of semen-filled straws immersed in nitrogen vapor. The present study contributes to the understanding of the cryopreservation techniques for sperm freezing based on engineering concepts, improving the cooling protocols and the manipulation of the straws.

Measuring Effective Leaf Area Index, Foliage Profile, and Stand Height in New England Forest Stands Using a Full-Waveform Ground-Based Lidar

NASA Technical Reports Server (NTRS)

Zhao, Feng; Yang, Xiaoyuan; Schull, Mithcell A.; Roman-Colon, Miguel O.; Yao, Tian; Wang, Zhuosen; Zhang, Qingling; Jupp, David L. B.; Lovell, Jenny L.; Culvenor, Darius;

Determination of the Landau Lifshitz damping parameter of composite magnetic fluids

NASA Astrophysics Data System (ADS)

Fannin, P. C.; Malaescu, I.; Marin, C. N.

2007-01-01

Measurements of the frequency dependent, complex magnetic susceptibility, χ(ω)= χ‧( ω)- iχ″( ω), in the GHz range, are used to investigate the effect which the mixing of two different magnetic fluids has on the value of the damping parameter, α, of the Landau-Lifshitz equation. The magnetic fluid samples investigated in this study were three kerosene-based magnetic fluids, stabilised with oleic acid, denoted as MF1, MF2 and MF3. Sample MF1 was a magnetic fluid with Mn 0.6Fe 0.4Fe 2O 4 particles, sample MF2 was a magnetic fluid with Ni 0.4Zn 0.6Fe 2O 4 particles and sample MF3 was a composite magnetic fluid obtained by mixing a part of sample MF1 with a part of sample MF2, in proportion of 1:1. The experimental results revealed that the value of the damping parameter of the composite sample (sample MF3) is between the α values obtained for its constituents (samples MF1 and MF2). Based on the superposition principle, which states that the susceptibility of a magnetic fluid sample is a superposition of individual contributions of the magnetic particles, a theoretical model is proposed. The experimental results are shown to be in close agreement with the theoretical results. This result is potentially useful in the design of microwave-operating materials, in that it enables one to determine a particular value of damping parameter.

Synthesis, optical, experimental and theoretical investigation of third order nonlinear optical properties of 8-hydroxyquinolinium 2-carboxy-6-nitrophthalate monohydrate single crystal

NASA Astrophysics Data System (ADS)

Bharathi, M. Divya; Bhuvaneswari, R.; Srividya, J.; Vinitha, G.; Prithiviraajan, R. N.; Anbalagan, G.

2018-02-01

Single crystals of 8-hydroxyquinolinium 2-carboxy-6-nitrophthalate monohydrate (8HQNP) were obtained from slow evaporation solution growth method using methanol-water (1:1) as a solvent. Powder X-ray diffraction was utilized to compute the unit cell parameters and dislocation density of 8HQNP crystal. The crystalline perfection of the as-grown crystal was investigated by high-resolution X-ray diffraction at room temperature. The molecular structure was analyzed by identifying the functional groups from FT-IR and FT-Raman spectra. The cut-off wavelength and the corresponding optical band gap obtained from an optical spectrum were 376 nm and 3.29 eV respectively. The dispersion nature of refractive index was investigated by the single-oscillator Wemple and Di-Domenico model. Red emission was observed in the photoluminescence spectrum when excited with 376 nm. The low birefringence and high laser damage threshold (8.538 GW/cm2) values dictate the suitability of the crystal for optical devices. Z-scan studies revealed the third order nonlinear absorption coefficient (β) and refractive index (n2) of the 8HQNP crystal. The theoretical value of third order nonlinear susceptibility obtained from density function theory is good accordance with the experimental value. The frontier molecular orbital energy gap decreases with increasing external electric field in different directions which attributed to the enhancement of the second hyperpolarizability. The grown title crystal is thermally stable up to 102 °C which was identified using thermal analysis. Mechanical strength of 8HQNP was estimated by using Vicker's microhardness studies.

Nonlinear least-squares data fitting in Excel spreadsheets.

PubMed

Kemmer, Gerdi; Keller, Sandro

2010-02-01

We describe an intuitive and rapid procedure for analyzing experimental data by nonlinear least-squares fitting (NLSF) in the most widely used spreadsheet program. Experimental data in x/y form and data calculated from a regression equation are inputted and plotted in a Microsoft Excel worksheet, and the sum of squared residuals is computed and minimized using the Solver add-in to obtain the set of parameter values that best describes the experimental data. The confidence of best-fit values is then visualized and assessed in a generally applicable and easily comprehensible way. Every user familiar with the most basic functions of Excel will be able to implement this protocol, without previous experience in data fitting or programming and without additional costs for specialist software. The application of this tool is exemplified using the well-known Michaelis-Menten equation characterizing simple enzyme kinetics. Only slight modifications are required to adapt the protocol to virtually any other kind of dataset or regression equation. The entire protocol takes approximately 1 h.

Comparison of 20-, 23-, and 25-gauge air infusion forces.

PubMed

Machado, Leonardo Martins; Magalhães, Octaviano; Maia, Mauricio; Rodrigues, Eduardo B; Farah, Michel Eid; Ismail, Kamal A R; Molon, Leandro; Oliveira, Danilo A

2011-11-01

To determine and compare 20-, 23-, and 25-gauge retinal infusion air jet impact pressure (force per unit area) in an experimental setting. Experimental laboratory investigation. Infusion cannulas were connected to a compressed air system. A controlled valve mechanism was used to obtain increasing levels of infusion pressure. Each infusion tube was positioned in front of a manual transducer to measure force. Impact pressure was calculated using known formulas in fluid dynamics. The 20-gauge infusion jet showed similar impact pressure values compared with the 23-gauge infusion jet. Both showed higher levels than the 25-gauge infusion jet. This was because of the smaller jet force for the 25-gauge system. In this experimental study, both the 23- and the 20-gauge air infusion jet showed higher impact pressure values compared with the 25-gauge air infusion jet. This could be of concern regarding air infusion during 23-gauge vitrectomy since retinal damage has been shown in standard-gauge surgeries.

Experimental and DFT studies of (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline: electronic and vibrational properties.

PubMed

Sun, Wenqi; Yuan, Guozan; Liu, Jingxin; Ma, Li; Liu, Chengbu

2013-04-01

The title molecule (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline (DPEQ) was synthesized and characterized by FT-IR, UV-vis, NMR spectroscopy. The molecular geometry, vibrational frequencies and gauge independent atomic orbital (GIAO) 1H and 13C NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DFT) method. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results indicate that the theoretical vibrational frequencies, 1H and 13C NMR chemical shift values show good agreement with experimental data. The electronic properties like UV-vis spectral analysis and HOMO-LUMO analysis of DPEQ have been reported and compared with experimental data. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecule has been obtained by mapping electron density isosurface with molecular electrostatic potential (MEP). Copyright © 2013 Elsevier B.V. All rights reserved.

Experimental and DFT studies of (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline: Electronic and vibrational properties

NASA Astrophysics Data System (ADS)

Sun, Wenqi; Yuan, Guozan; Liu, Jingxin; Ma, Li; Liu, Chengbu

2013-04-01

The title molecule (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline (DPEQ) was synthesized and characterized by FT-IR, UV-vis, NMR spectroscopy. The molecular geometry, vibrational frequencies and gauge independent atomic orbital (GIAO) 1H and 13C NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DFT) method. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results indicate that the theoretical vibrational frequencies, 1H and 13C NMR chemical shift values show good agreement with experimental data. The electronic properties like UV-vis spectral analysis and HOMO-LUMO analysis of DPEQ have been reported and compared with experimental data. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecule has been obtained by mapping electron density isosurface with molecular electrostatic potential (MEP).

Thermal conductivity and viscosity measurements of ethylene glycol-based Al2O3 nanofluids

NASA Astrophysics Data System (ADS)

Pastoriza-Gallego, María José; Lugo, Luis; Legido, José Luis; Piñeiro, Manuel M.

2011-12-01

The dispersion and stability of nanofluids obtained by dispersing Al2O3 nanoparticles in ethylene glycol have been analyzed at several concentrations up to 25% in mass fraction. The thermal conductivity and viscosity were experimentally determined at temperatures ranging from 283.15 K to 323.15 K using an apparatus based on the hot-wire method and a rotational viscometer, respectively. It has been found that both thermal conductivity and viscosity increase with the concentration of nanoparticles, whereas when the temperature increases the viscosity diminishes and the thermal conductivity rises. Measured enhancements on thermal conductivity (up to 19%) compare well with literature values when available. New viscosity experimental data yield values more than twice larger than the base fluid. The influence of particle size on viscosity has been also studied, finding large differences that must be taken into account for any practical application. These experimental results were compared with some theoretical models, as those of Maxwell-Hamilton and Crosser for thermal conductivity and Krieger and Dougherty for viscosity.

Heat transfer to horizontal tubes in a pilot-scale fluidized-bed combustor burning low-rank coals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grewal, N.S.; Goblirsch, G.

Experimental data are obtained for the heat transfer coefficient between immersed horizontal tube bundles and an atmospheric-fluidized-bed combustor burning low-rank coals. Silica sand (d/sub p/ = 888 to 1484 ..mu..m) and limestone (d/sub p/ = 716 to 1895 ..mu..m) are used as bed material. The tests are conducted, with and without limestone addition and ash recycle, at average bed temperatures ranging from 1047 to 1125/sup 0/K, superficial fluidizing velocity of 1.66 to 2.04 m/s, and excess air levels of 15 to 40 percent. The experimental data are examined in the light of the existing correlations for the heat transfer coefficient.more » The predicted values of heat transfer coefficient from the correlations proposed by Grewal (1981) and Bansal et al. (1980) are found to be within +-25 percent of the experimental values of heat transfer coefficient, when the contribution due to radiation is also included. 5 figures, 5 tables.« less

Integrating uniform design and response surface methodology to optimize thiacloprid suspension

PubMed Central

Li, Bei-xing; Wang, Wei-chang; Zhang, Xian-peng; Zhang, Da-xia; Mu, Wei; Liu, Feng

2017-01-01

A model 25% suspension concentrate (SC) of thiacloprid was adopted to evaluate an integrative approach of uniform design and response surface methodology. Tersperse2700, PE1601, xanthan gum and veegum were the four experimental factors, and the aqueous separation ratio and viscosity were the two dependent variables. Linear and quadratic polynomial models of stepwise regression and partial least squares were adopted to test the fit of the experimental data. Verification tests revealed satisfactory agreement between the experimental and predicted data. The measured values for the aqueous separation ratio and viscosity were 3.45% and 278.8 mPa·s, respectively, and the relative errors of the predicted values were 9.57% and 2.65%, respectively (prepared under the proposed conditions). Comprehensive benefits could also be obtained by appropriately adjusting the amount of certain adjuvants based on practical requirements. Integrating uniform design and response surface methodology is an effective strategy for optimizing SC formulas. PMID:28383036

Study of the Effects of High Temperatures on the Engineering Properties of Steel 42CrMo4

NASA Astrophysics Data System (ADS)

Brnic, Josip; Turkalj, Goran; Canadija, Marko; Lanc, Domagoj; Brcic, Marino

2015-02-01

The paper presents and analyzes the experimental results of the effect of elevated temperatures on the engineering properties of steel 42CrMo4. Experimental data relating to the mechanical properties of the material, the creep resistance as well as Charpy impact energy. Temperature dependence of the mentioned properties is also shown. Some of creep curves were simulated using rheological models and an analytical equation. Finally, an assessment of fracture toughness was made that was based on experimentally determined Charpy impact energy. Based on the obtained results it is visible that the tensile strength (617 MPa) and yield strength (415 MPa) have the highest value at the room temperature while at the temperature of 700 °C (973 K) these values significantly decrease. This steel can be considered resistant to creep at 400 °C (673 K), but at higher temperatures this steel can be subjected to low levels of stress in a shorter time.

Experimental verification of numerical calculations of railway passenger seats

NASA Astrophysics Data System (ADS)

Ligaj, B.; Wirwicki, M.; Karolewska, K.; Jasińska, A.

2018-04-01

The construction of railway seats is based on industry regulations and the requirements of end users, i.e. passengers. The two main documents in this context are the UIC 566 (3rd Edition, dated 7 January 1994) and the EN 12663-1: 2010+A1:2014. The study was to carry out static load tests of passenger seat frames. The paper presents the construction of the test bench and the results of experimental and numerical studies of passenger seat rail frames. The test bench consists of a frame, a transverse beam, two electric cylinders with a force value of 6 kN, and a strain gauge amplifier. It has a modular structure that allows for its expansion depending on the structure of the seats. Comparing experimental results with numerical results for points A and B allowed to determine the existing differences. It follows from it that higher stress values are obtained by numerical calculations in the range of 0.2 MPa to 35.9 MPa.

Studies on absorption coefficient near edge of multi elements

NASA Astrophysics Data System (ADS)

Eisa, M. H.; Shen, H.; Yao, H. Y.; Mi, Y.; Zhou, Z. Y.; Hu, T. D.; Xie, Y. N.

2005-12-01

X-ray absorption near edge structure (XANES) was used to study the near edge mass-absorption coefficients of seven elements, such as, Ti, V, Fe, Co, Ni, Cu and Zn. It is well known that, on the near edge absorption of element, when incident X-ray a few eV change can make the absorption coefficient an order magnitude alteration. So that, there are only a few points mass-absorption coefficient at the near edge absorption and that always average value in published table. Our results showed a wide range of data, the total measured data of mass-absorption coefficient of the seven elements was about 505. The investigation confirmed that XANES is useful technique for multi-element absorption coefficient measurement. Details of experimental methods and results are given and discussed. The experimental work has been performed at Beijing Synchrotron Radiation Facility. The measured values were compared with the published data. Good agreement between experimental results and published data is obtained.

Length dependence of electron transport through molecular wires--a first principles perspective.

PubMed

Khoo, Khoong Hong; Chen, Yifeng; Li, Suchun; Quek, Su Ying

2015-01-07

One-dimensional wires constitute a fundamental building block in nanoscale electronics. However, truly one-dimensional metallic wires do not exist due to Peierls distortion. Molecular wires come close to being stable one-dimensional wires, but are typically semiconductors, with charge transport occurring via tunneling or thermally-activated hopping. In this review, we discuss electron transport through molecular wires, from a theoretical, quantum mechanical perspective based on first principles. We focus specifically on the off-resonant tunneling regime, applicable to shorter molecular wires (<∼4-5 nm) where quantum mechanics dictates electron transport. Here, conductance decays exponentially with the wire length, with an exponential decay constant, beta, that is independent of temperature. Different levels of first principles theory are discussed, starting with the computational workhorse - density functional theory (DFT), and moving on to many-electron GW methods as well as GW-inspired DFT + Sigma calculations. These different levels of theory are applied in two major computational frameworks - complex band structure (CBS) calculations to estimate the tunneling decay constant, beta, and Landauer-Buttiker transport calculations that consider explicitly the effects of contact geometry, and compute the transmission spectra directly. In general, for the same level of theory, the Landauer-Buttiker calculations give more quantitative values of beta than the CBS calculations. However, the CBS calculations have a long history and are particularly useful for quick estimates of beta. Comparing different levels of theory, it is clear that GW and DFT + Sigma calculations give significantly improved agreement with experiment compared to DFT, especially for the conductance values. Quantitative agreement can also be obtained for the Seebeck coefficient - another independent probe of electron transport. This excellent agreement provides confirmative evidence of off-resonant tunneling in the systems under investigation. Calculations show that the tunneling decay constant beta is a robust quantity that does not depend on details of the contact geometry, provided that the same contact geometry is used for all molecular lengths considered. However, because conductance is sensitive to contact geometry, values of beta obtained by considering conductance values where the contact geometry is changing with the molecular junction length can be quite different. Experimentally measured values of beta in general compare well with beta obtained using DFT + Sigma and GW transport calculations, while discrepancies can be attributed to changes in the experimental contact geometries with molecular length. This review also summarizes experimental and theoretical efforts towards finding perfect molecular wires with high conductance and small beta values.

Burnout in the horizontal tubes of a furnace waterwall panel

NASA Astrophysics Data System (ADS)

Kamenetskii, B. Ya.

2009-08-01

An experimental study of heat transfer that occurs in tubes nonuniformly heated over the perimeter at low velocities of subcooled water flowing in them is presented. Experiments with unsteady supply of heat made it possible to determine heat fluxes under burnout conditions. Unusually low values of critical heat fluxes were obtained under such conditions.

Overland flow velocities on semiarid hillslopes 2471

USDA-ARS?s Scientific Manuscript database

A series of 188 rainfall plot simulations was conducted on grass, shrub, oak savanna, and juniper sites in Arizona and Nevada. A total of 897 flow velocity measurements was obtained on 3.6% to 39.6% slopes with values ranging from 0.007 m s-1 to 0.115 m s-1. The experimental data showed that flow ve...

Evidence Evaluation: Measure "Z" Corresponds to Human Utility Judgments Better than Measure "L" and Optimal-Experimental-Design Models

ERIC Educational Resources Information Center

Rusconi, Patrice; Marelli, Marco; D'Addario, Marco; Russo, Selena; Cherubini, Paolo

2014-01-01

Evidence evaluation is a crucial process in many human activities, spanning from medical diagnosis to impression formation. The present experiments investigated which, if any, normative model best conforms to people's intuition about the value of the obtained evidence. Psychologists, epistemologists, and philosophers of science have proposed…

Attenuation of the Atmospheric Migration Ability of Polychlorinated Naphthalenes (PCN-2) Based on Three-dimensional QSAR Models with Full Factor Experimental Design.

PubMed

Gu, Wenwen; Chen, Ying; Li, Yu

2017-08-01

Based on the experimental subcooled liquid vapor pressures (P L ) of 17 polychlorinated naphthalene (PCN) congeners, one type of three-dimensional quantitative structure-activity relationship (3D-QSAR) models, comparative molecular similarity indices analysis (CoMSIA), was constructed with Sybyl software. Full factor experimental design was used to obtain the final regulation scheme for PCN, and then carry out modification of PCN-2 to significantly lower its P L . The contour maps of CoMSIA model showed that the migration ability of PCN decreases when the Cl atoms at the 2-, 3-, 4-, 5-, 6-, 7- and 8-positions of PCNs are replaced by electropositive groups. After modification of PCN-2, 12 types of new modified PCN-2 compounds were obtained with lnP L values two orders of magnitude lower than that of PCN-2. In addition, there are significant differences between the calculated total energies and energy gaps of the new modified compounds and those of PCN-2.

The guanidine and maleic acid (1:1) complex. The additional theoretical and experimental studies.

PubMed

Drozd, Marek; Dudzic, Damian

2012-04-01

On the basis of experimental literature data the theoretical studies for guanidinium and maleic acid complex with using DFT method are performed. In these studies the experimental X-ray data for two different forms of investigated crystal were used. During the geometry optimization process one equilibrium structure was found, only. According to this result the infrared spectrum for one theoretical molecule was calculated. On the basis of potential energy distribution (PED) analysis the clear-cut assignments of observed bands were performed. For the calculated molecule with energy minimum the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) were obtained and graphically illustrated. The energy difference (GAP) between HOMO and LUMO was analyzed. Additionally, the nonlinear properties of this molecule were calculated. The α and β (first and second order) hyperpolarizability values are obtained. On the basis of these results the title crystal was classified as new second order NLO generator. Copyright © 2011 Elsevier B.V. All rights reserved.

Evaluation of mechanical properties of Aluminum-Copper cold sprayed and alloy 625 wire arc sprayed coatings

NASA Astrophysics Data System (ADS)

Bashirzadeh, Milad

This study examines microstructural-based mechanical properties of Al-Cu composite deposited by cold spraying and wire arc sprayed nickel-based alloy 625 coating using numerical modeling and experimental techniques. The microhardness and elastic modulus of samples were determined using the Knoop hardness technique. Hardness in both transverse and longitudinal directions on the sample cross-sections has been measured. An image-based finite element simulation algorithm was employed to determine the mechanical properties through an inverse analysis. In addition mechanical tests including, tensile, bending, and nano-indentation tests were performed on alloy 625 wire arc sprayed samples. Overall, results from the experimental tests are in relatively good agreement for deposited Al-Cu composites and alloy 625 coating. However, results obtained from numerical simulation are significantly higher in value than experimentally obtained results. Examination and comparison of the results are strong indications of the influence of microstructure characteristics on the mechanical properties of thermally spray deposited coatings.

Response surface modeling of acid activation of raw diatomite using in sunflower oil bleaching by: Box-Behnken experimental design.

PubMed

Larouci, M; Safa, M; Meddah, B; Aoues, A; Sonnet, P

2015-03-01

The optimum conditions for acid activation of diatomite for maximizing bleaching efficiency of the diatomite in sun flower oil treatment were studied. Box-Behnken experimental design combining with response surface modeling (RSM) and quadratic programming (QP) was employed to obtain the optimum conditions of three independent variables (acid concentration, activation time and solid to liquid) for acid activation of diatomite. The significance of independent variables and their interactions were tested by means of the analysis of variance (ANOVA) with 95 % confidence limits (α = 0.05). The optimum values of the selected variables were obtained by solving the quadratic regression model, as well as by analyzing the response surface contour plots. The experimental conditions at this global point were determined to be acid concentration = 8.963 N, activation time = 11.9878 h, and solid to liquid ratio = 221.2113 g/l, the corresponding bleaching efficiency was found to be about 99 %.

Generic Hypersonic Inlet Module Analysis

NASA Technical Reports Server (NTRS)

Cockrell, Chares E., Jr.; Huebner, Lawrence D.

2004-01-01

A computational study associated with an internal inlet drag analysis was performed for a generic hypersonic inlet module. The purpose of this study was to determine the feasibility of computing the internal drag force for a generic scramjet engine module using computational methods. The computational study consisted of obtaining two-dimensional (2D) and three-dimensional (3D) computational fluid dynamics (CFD) solutions using the Euler and parabolized Navier-Stokes (PNS) equations. The solution accuracy was assessed by comparisons with experimental pitot pressure data. The CFD analysis indicates that the 3D PNS solutions show the best agreement with experimental pitot pressure data. The internal inlet drag analysis consisted of obtaining drag force predictions based on experimental data and 3D CFD solutions. A comparative assessment of each of the drag prediction methods is made and the sensitivity of CFD drag values to computational procedures is documented. The analysis indicates that the CFD drag predictions are highly sensitive to the computational procedure used.

Energy levels and optical properties of neodymium-doped barium fluorapatite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stefanos, Sennay M.; Bonner, Carl E. Jr.; Meegoda, Chandana

Energy levels of the 4f{sup 3} electronic configuration of Nd{sup 3+} in barium fluorapatite, Ba{sub 5}(PO{sub 4}){sub 3}F(B-FAP) have been determined from polarized absorption and fluorescence spectra using crystals at 8 K. Experimental energy-level assignments were made initially by comparing the crystal spectra energy levels with those obtained from those previously reported for Nd{sup 3+} in strontium fluorapatite and fluorapatite. The initial crystal-field parameters were calculated by using lattice summation techniques. The crystal-field parameters were varied to obtain a best fit between experimental and theoretical energies and the final values give a root-mean-square deviation of 7.1 cm-1. The odd-fold crystal-fieldmore » components are used to calculate the emission intensities and lifetimes of the Nd{sup 3+} ions in B-FAP. These calculations yield results in good agreement with the experimental measurements of the absorption and emission cross sections and lifetimes. (c) 2000 American Institute of Physics.« less

A measurement of global event shape distributions in the hadronic decays of the Z 0

NASA Astrophysics Data System (ADS)

Akrawy, M. Z.; Alexander, G.; Allison, J.; Allport, P. P.; Anderson, K. J.; Armitage, J. C.; Arnison, G. T. J.; Ashton, P.; Azuelos, G.; Baines, J. T. M.; Ball, A. H.; Banks, J.; Barker, G. J.; Barlow, R. J.; Batley, J. R.; Becker, J.; Behnke, T.; Bell, K. W.; Bella, G.; Bethke, S.; Biebel, O.; Binder, U.; Bloodworth, L. J.; Bock, P.; Breuker, H.; Brown, R. M.; Brun, R.; Buijs, A.; Burckhart, H. J.; Capiluppi, P.; Carnegie, R. K.; Carter, A. A.; Carter, J. R.; Chang, C. Y.; Charlton, D. G.; Chrin, J. T. M.; Cohen, I.; Collins, W. J.; Conboy, J. E.; Couch, M.; Coupland, M.; Cuffiani, M.; Dado, S.; Dallavalle, G. M.; Debu, P.; Deninno, M. M.; Dieckmann, A.; Dittmar, M.; Dixit, M. S.; Duchovni, E.; Duerdoth, I. P.; Dumas, D.; El Mamouni, H.; Elcombe, P. A.; Estabrooks, P. G.; Etzion, E.; Fabbri, F.; Farthouat, P.; Fischer, H. M.; Fong, D. G.; French, M. T.; Fukunaga, C.; Gaidot, A.; Ganel, O.; Gary, J. W.; Gascon, J.; Geddes, N. I.; Gee, C. N. P.; Geich-Gimbel, C.; Gensler, S. W.; Gentit, F. X.; Giacomelli, G.; Gibson, V.; Gibson, W. R.; Gillies, J. D.; Goldberg, J.; Goodrick, M. J.; Gorn, W.; Granite, D.; Gross, E.; Grosse-Wiesmann, P.; Grunhaus, J.; Hagedorn, H.; Hagemann, J.; Hansroul, M.; Hargrove, C. K.; Hart, J.; Hattersley, P. M.; Hauschild, M.; Hawkes, C. M.; Heflin, E.; Hemingway, R. J.; Heuer, R. D.; Hill, J. C.; Hillier, S. J.; Ho, C.; Hobbs, J. D.; Hobson, P. R.; Hochman, D.; Holl, B.; Homer, R. J.; Hou, S. R.; Howarth, C. P.; Hughes-Jones, R. E.; Igo-Kemenes, P.; Ihssen, H.; Imrie, D. C.; Jawahery, A.; Jeffreys, P. W.; Jeremie, H.; Jimack, M.; Jobes, M.; Jones, R. W. L.; Jovanovic, P.; Karlen, D.; Kawagoe, K.; Kawamoto, T.; Kellogg, R. G.; Kennedy, B. W.; Kleinwort, C.; Klem, D. E.; Knop, G.; Kobayashi, T.; Kokott, T. P.; Köpke, L.; Kowalewski, R.; Kreutzmann, H.; von Krogh, J.; Kroll, J.; Kuwano, M.; Kyberd, P.; Lafferty, G. D.; Lamarche, F.; Larson, W. J.; Lasota, M. M. B.; Layter, J. G.; Le Du, P.; Leblanc, P.; Lee, A. M.; Lellouch, D.; Lennert, P.; Lessard, L.; Levinson, L.; Lloyd, S. L.; Loebinger, F. K.; Lorah, J. M.; Lorazo, B.; Losty, M. J.; Ludwig, J.; Lupu, N.; Ma, J.; MacBeth, A. A.; Mannelli, M.; Marcellini, S.; Maringer, G.; Martin, A. J.; Martin, J. P.; Mashimo, T.; Mättig, P.; Maur, U.; McMahon, T. J.; McPherson, A. C.; Meijers, F.; Menszner, D.; Merritt, F. S.; Mes, H.; Michelini, A.; Middleton, R. P.; Mikenberg, G.; Miller, D. J.; Milstene, C.; Minowa, M.; Mohr, W.; Montanari, A.; Mori, T.; Moss, M. W.; Murphy, P. G.; Murray, W. J.; Nellen, B.; Nguyen, H. H.; Nozaki, M.; O'Dowd, A. J. P.; O'Neale, S. W.; O'Neill, B. P.; Oakham, F. G.; Odorici, F.; Ogg, M.; Oh, H.; Oreglia, M. J.; Orito, S.; Pansart, J. P.; Patrick, G. N.; Pawley, S. J.; Pfister, P.; Pilcher, J. E.; Pinfold, J. L.; Plane, D. E.; Poli, B.; Pouladdej, A.; Pritchard, P. W.; Quast, G.; Raab, J.; Redmond, M. W.; Rees, D. L.; Regimbald, M.; Riles, K.; Roach, C. M.; Robins, S. A.; Rollnik, A.; Roney, J. M.; Rossberg, S.; Rossi, A. M.; Routenburg, P.; Runge, K.; Runolfsson, O.; Sanghera, S.; Sansum, R. A.; Sasaki, M.; Saunders, B. J.; Schaile, A. D.; Schaile, O.; Schappert, W.; Scharff-Hansen, P.; von der Schmitt, H.; Schreiber, S.; Schwarz, J.; Shapira, A.; Shen, B. C.; Sherwood, P.; Simon, A.; Siroli, G. P.; Skuja, A.; Smith, A. M.; Smith, T. J.; Snow, G. A.; Spreadbury, E. J.; Springer, R. W.; Sproston, M.; Stephens, K.; Stier, H. E.; Ströhmer, R.; Strom, D.; Takeda, H.; Takeshita, T.; Tsukamoto, T.; Turner, M. F.; Tysarczyk-Niemeyer, G.; van den Plas, D.; Vandalen, G. J.; Vasseur, G.; Virtue, C. J.; Wagner, A.; Wahl, C.; Ward, C. P.; Ward, D. R.; Waterhouse, J.; Watkins, P. M.; Watson, A. T.; Watson, N. K.; Weber, M.; Weisz, S.; Wermes, N.; Weymann, M.; Wilson, G. W.; Wilson, J. A.; Wingerter, I.; Winterer, V.-H.; Wood, N. C.; Wotton, S.; Wuensch, B.; Wyatt, T. R.; Yaari, R.; Yang, Y.; Yekutieli, G.; Yoshida, T.; Zeuner, W.; Zorn, G. T.

1990-12-01

We present measurements of global event shape distributions in the hadronic decays of the Z 0. The data sample, corresponding to an integrated luminosity of about 1.3 pb-1, was collected with the OPAL detector at LEP. Most of the experimental distributions we present are unfolded for the finite acceptance and resolution of the OPAL detector. Through comparison with our unfolded data, we tune the parameter values of several Monte Carlo computer programs which simulate perturbative QCD and the hadronization of partons. Jetset version 7.2, Herwig version 3.4 and Ariadne version 3.1 all provide good descriptions of the experimental distributions. They in addition describe lower energy data with the parameter values adjusted at the Z 0 energy. A complete second order matrix element Monte Carlo program with a modified perturbation scale is also compared to our 91 GeV data and its parameter values are adjusted. We obtained an unfolded value for the mean charged multiplicity of 21.28±0.04±0.84, where the first error is statistical and the second is systematic.

Antioxidant Capacity: Experimental Determination by EPR Spectroscopy and Mathematical Modeling.

PubMed

Polak, Justyna; Bartoszek, Mariola; Chorążewski, Mirosław

2015-07-22

A new method of determining antioxidant capacity based on a mathematical model is presented in this paper. The model was fitted to 1000 data points of electron paramagnetic resonance (EPR) spectroscopy measurements of various food product samples such as tea, wine, juice, and herbs with Trolox equivalent antioxidant capacity (TEAC) values from 20 to 2000 μmol TE/100 mL. The proposed mathematical equation allows for a determination of TEAC of food products based on a single EPR spectroscopy measurement. The model was tested on the basis of 80 EPR spectroscopy measurements of herbs, tea, coffee, and juice samples. The proposed model works for both strong and weak antioxidants (TEAC values from 21 to 2347 μmol TE/100 mL). The determination coefficient between TEAC values obtained experimentally and TEAC values calculated with proposed mathematical equation was found to be R(2) = 0.98. Therefore, the proposed new method of TEAC determination based on a mathematical model is a good alternative to the standard EPR method due to its being fast, accurate, inexpensive, and simple to perform.

Relative stability of DNA as a generic criterion for promoter prediction: whole genome annotation of microbial genomes with varying nucleotide base composition.

PubMed

Rangannan, Vetriselvi; Bansal, Manju

2009-12-01

The rapid increase in genome sequence information has necessitated the annotation of their functional elements, particularly those occurring in the non-coding regions, in the genomic context. Promoter region is the key regulatory region, which enables the gene to be transcribed or repressed, but it is difficult to determine experimentally. Hence an in silico identification of promoters is crucial in order to guide experimental work and to pin point the key region that controls the transcription initiation of a gene. In this analysis, we demonstrate that while the promoter regions are in general less stable than the flanking regions, their average free energy varies depending on the GC composition of the flanking genomic sequence. We have therefore obtained a set of free energy threshold values, for genomic DNA with varying GC content and used them as generic criteria for predicting promoter regions in several microbial genomes, using an in-house developed tool PromPredict. On applying it to predict promoter regions corresponding to the 1144 and 612 experimentally validated TSSs in E. coli (50.8% GC) and B. subtilis (43.5% GC) sensitivity of 99% and 95% and precision values of 58% and 60%, respectively, were achieved. For the limited data set of 81 TSSs available for M. tuberculosis (65.6% GC) a sensitivity of 100% and precision of 49% was obtained.

Theoretical and experimental studies of reentry plasmas

NASA Technical Reports Server (NTRS)

Dunn, M. G.; Kang, S.

1973-01-01

A viscous shock-layer analysis was developed and used to calculate nonequilibrium-flow species distributions in the plasma layer of the RAM vehicle. The theoretical electron-density results obtained are in good agreement with those measured in flight. A circular-aperture flush-mounted antenna was used to obtain a comparison between theoretical and experimental antenna admittance in the presence of ionized boundary layers of low collision frequency. The electron-temperature and electron-density distributions in the boundary layer were independently measured. The antenna admittance was measured using a four-probe microwave reflectometer and these measured values were found to be in good agreement with those predicted. Measurements were also performed with another type of circular-aperture antenna and good agreement was obtained between the calculations and the experimental results. A theoretical analysis has been completed which permits calculation of the nonequilibrium, viscous shock-layer flow field for a sphere-cone body. Results are presented for two different bodies at several different altitudes illustrating the influences of bluntness and chemical nonequilibrium on several gas dynamic parameters of interest. Plane-wave transmission coefficients were calculated for an approximate space-shuttle body using a typical trajectory.

Characterization and Simulation of a New Design Parallel-Plate Ionization Chamber for CT Dosimetry at Calibration Laboratories

NASA Astrophysics Data System (ADS)

Perini, Ana P.; Neves, Lucio P.; Maia, Ana F.; Caldas, Linda V. E.

2013-12-01

In this work, a new extended-length parallel-plate ionization chamber was tested in the standard radiation qualities for computed tomography established according to the half-value layers defined at the IEC 61267 standard, at the Calibration Laboratory of the Instituto de Pesquisas Energéticas e Nucleares (IPEN). The experimental characterization was made following the IEC 61674 standard recommendations. The experimental results obtained with the ionization chamber studied in this work were compared to those obtained with a commercial pencil ionization chamber, showing a good agreement. With the use of the PENELOPE Monte Carlo code, simulations were undertaken to evaluate the influence of the cables, insulator, PMMA body, collecting electrode, guard ring, screws, as well as different materials and geometrical arrangements, on the energy deposited on the ionization chamber sensitive volume. The maximum influence observed was 13.3% for the collecting electrode, and regarding the use of different materials and design, the substitutions showed that the original project presented the most suitable configuration. The experimental and simulated results obtained in this work show that this ionization chamber has appropriate characteristics to be used at calibration laboratories, for dosimetry in standard computed tomography and diagnostic radiology quality beams.

Validation of a C2-C7 cervical spine finite element model using specimen-specific flexibility data.

PubMed

Kallemeyn, Nicole; Gandhi, Anup; Kode, Swathi; Shivanna, Kiran; Smucker, Joseph; Grosland, Nicole

2010-06-01

This study presents a specimen-specific C2-C7 cervical spine finite element model that was developed using multiblock meshing techniques. The model was validated using in-house experimental flexibility data obtained from the cadaveric specimen used for mesh development. The C2-C7 specimen was subjected to pure continuous moments up to +/-1.0 N m in flexion, extension, lateral bending, and axial rotation, and the motions at each level were obtained. Additionally, the specimen was divided into C2-C3, C4-C5, and C6-C7 functional spinal units (FSUs) which were tested in the intact state as well as after sequential removal of the interspinous, ligamentum flavum, and capsular ligaments. The finite element model was initially assigned baseline material properties based on the literature, but was calibrated using the experimental motion data which was obtained in-house, while utlizing the ranges of material property values as reported in the literature. The calibrated model provided good agreement with the nonlinear experimental loading curves, and can be used to further study the response of the cervical spine to various biomechanical investigations. Copyright 2010 IPEM. Published by Elsevier Ltd. All rights reserved.

Partitioning of fluorotelomer alcohols to octanol and different sources of dissolved organic carbon.

PubMed

Carmosini, Nadia; Lee, Linda S

2008-09-01

Interest in the environmental fate of fluorotelomer alcohols (FTOHs) has spurred efforts to understand their equilibrium partitioning behavior. Experimentally determined partition coefficients for FTOHs between soil/water and air/water have been reported, but direct measurements of partition coefficients for dissolved organic carbon (DOC)/water (K(doc)) and octanol/ water(K(ow)) have been lacking. Here we measured the partitioning of 8:2 and 6:2 FTOH between one or more types of DOC and water using enhanced solubility or dialysis bag techniques, and also quantified K(ow) values for 4:2 to 8:2 FTOH using a batch equilibration method. The range in measured log K(doc) values for 8:2 FTOH using the enhanced solubility technique with DOC derived from two soils, two biosolids, and three reference humic acids is 2.00-3.97 with the lowest values obtained for the biosolids and an average across all other DOC sources (biosolid DOC excluded) of 3.54 +/- 0.29. For 6:2 FTOH and Aldrich humic acid, a log K(doc) value of 1.96 +/- 0.45 was measured using the dialysis technique. These average values are approximately 1 to 2 log units lower than previously indirectly estimated K(doc) values. Overall, the affinity for DOC tends to be slightly lower than that for particulate soil organic carbon. Measured log K(ow) values for 4:2 (3.30 +/- 0.04), 6:2 (4.54 +/- 0.01), and 8:2 FTOH (5.58 +/- 0.06) were in good agreement with previously reported estimates. Using relationships between experimentally measured partition coefficients and C-atom chain length, we estimated K(doc) and K(ow) values for shorter and longer chain FTOHs, respectively, that we were unable to measure experimentally.

Non-Ideal Detonation Properties of Ammonium Nitrate and Activated Carbon Mixtures

NASA Astrophysics Data System (ADS)

Miyake, Atsumi; Echigoya, Hiroshi; Kobayashi, Hidefumi; Ogawa, Terushige; Katoh, Katsumi; Kubota, Shiro; Wada, Yuji; Ogata, Yuji

To obtain a better understanding of detonation properties of ammonium nitrate (AN) and activated carbon (AC) mixtures, steel tube tests with several diameters were carried out for various compositions of powdered AN and AC mixtures and the influence of the charge diameter on the detonation velocity was investigated. The results showed that the detonation velocity increased with the increase of the charge diameter. The experimentally observed values were far below the theoretically predicted values made by the thermodynamic CHEETAH code and they showed so-called non-ideal detonation. The extrapolated detonation velocity of stoichiometric composition to the infinite diameter showed a good agreement with the theoretical value.

Health Auctions: a Valuation Experiment (HAVE) study protocol.

PubMed

Kularatna, Sanjeewa; Petrie, Dennis; Scuffham, Paul A; Byrnes, Joshua

2016-04-07

Quality-adjusted life years are derived using health state utility weights which adjust for the relative value of living in each health state compared with living in perfect health. Various techniques are used to estimate health state utility weights including time-trade-off and standard gamble. These methods have exhibited limitations in terms of complexity, validity and reliability. A new composite approach using experimental auctions to value health states is introduced in this protocol. A pilot study will test the feasibility and validity of using experimental auctions to value health states in monetary terms. A convenient sample (n=150) from a population of university staff and students will be invited to participate in 30 auction sets with a group of 5 people in each set. The 9 health states auctioned in each auction set will come from the commonly used EQ-5D-3L instrument. At most participants purchase 2 health states, and the participant who acquires the 2 'best' health states on average will keep the amount of money they do not spend in acquiring those health states. The value (highest bid and average bid) of each of the 24 health states will be compared across auctions to test for reliability across auction groups and across auctioneers. A test retest will be conducted for 10% of the sample to assess reliability of responses for health states auctions. Feasibility of conducting experimental auctions to value health states will also be examined. The validity of estimated health states values will be compared with published utility estimates from other methods. This pilot study will explore the feasibility, reliability and validity in using experimental auction for valuing health states. Ethical clearance was obtained from Griffith University ethics committee. The results will be disseminated in peer-reviewed journals and major international conferences. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

Correlations Among Ice Measurements, Impingement Rates Icing Conditions, and Drag Coefficients for Unswept NACA 65A004 Airfoil

NASA Technical Reports Server (NTRS)

Gray, Vernon H.

1958-01-01

An empirical relation has been obtained by which the change in drag coefficient caused by ice formations on an unswept NACA 65AO04 airfoil section can be determined from the following icing and operating conditions: icing time, airspeed, air total temperature, liquid-water content, cloud droplet impingement efficiencies, airfoil chord length, and angles of attack. The correlation was obtained by use of measured ice heights and ice angles. These measurements were obtained from a variety of ice formations, which were carefully photographed, cross-sectioned, and weighed. Ice weights increased at a constant rate with icing time in a rime icing condition and at progressively increasing rates in glaze icing conditions. Initial rates of ice collection agreed reasonably well with values predicted from droplet impingement data. Experimental droplet impingement rates obtained on this airfoil section agreed with previous theoretical calculations for angles of attack of 40 or less. Disagreement at higher angles of attack was attributed to flow separation from the upper surface of the experimental airfoil model.

A step forward in the study of the electroerosion by optical methods

NASA Astrophysics Data System (ADS)

Aparicio, R.; Gale, M. F. Ruiz; Hogert, E. N.; Landau, M. R.; Gaggioli, y. N. G.

2003-05-01

This work develops two theoretical models of surfaces to explain the behavior of the light scattered by samples that suffers some alteration. In a first model, it is evaluated the mean intensity scattered by the sample, analyzing the different curves obtained as function of the eroded/total surface ratio. The theoretical results are compared with those obtained experimentally. It can be seen that there exists a strong relation between the electroerosion level and the light scattered by the sample. A second model analyzes a surface with random changes in its roughness. A translucent surface with its roughness changing in a controlled way is studied. Then, the correlation coefficient variation as function of the roughness variation is determined by the transmission speckle correlation method. The obtained experimental values are compared with those obtained with this model. In summary, it can be shown that the first- and second-order statistics properties of the transmitted or reflected light by a sample with a variable topography can be taken account as a parameter to analyze these morphologic changes.

Choosing the optimal Pareto composition of the charge material for the manufacture of composite blanks

NASA Astrophysics Data System (ADS)

Zalazinsky, A. G.; Kryuchkov, D. I.; Nesterenko, A. V.; Titov, V. G.

2017-12-01

The results of an experimental study of the mechanical properties of pressed and sintered briquettes consisting of powders obtained from a high-strength VT-22 titanium alloy by plasma spraying with additives of PTM-1 titanium powder obtained by the hydride-calcium method and powder of PV-N70Yu30 nickel-aluminum alloy are presented. The task is set for the choice of an optimal charge material composition of a composite material providing the required mechanical characteristics and cost of semi-finished products and items. Pareto optimal values for the composition of the composite material charge have been obtained.

Indoor Environment in Residential Prefabricated Buildings

NASA Astrophysics Data System (ADS)

Kraus, Michal; Juhásová Šenitková, Ingrid

2017-10-01

The contribution presents results of the experimental measurement of indoor air quality in residential prefabricated buildings. People spend about 90% of their life in the indoor environment of buildings. Hygrothermal parameters and indoor air quality are the essential component that define the quality of the indoor environment. The results of case study characterize the quality of the indoor environment of the ordinary occupants in housing unit of residential prefabricated building. A current problem of revitalized prefabricated buildings is inadequate air exchange and related thereto to poor indoor air quality. The experimental measurements were carried out just before and at the beginning of the heating season (from 1st October to 30th November 2016). Heating season was launched in the middle of experimental measurement. The wireless indoor sensor Elgato Eve Room was used for measurements. The obtained values of indoor air temperature [°C], relative humidity [%] and indoor air quality [ppm] are describe and analysis in this study. The results of the study indicate that the values of temperature and indoor air quality meet optimal levels during the experiment with nuances. The mean air temperature in the indoor environment is 22.43 °C. The temperature of the indoor environment is held at the optimum level (18-24 °C) for 94.50% time of the experimental measurements. In addition, the indoor air quality in the context of the content of harmful volatile organic compounds (VOCs) has been excellent for almost 91% time of the total experiment. However, the values of relative humidity were less than the optimum value nearly 40% of the total observed time. The mean 10-minutes values of relative humidity during the heating season is about 10% lower than the mean 10-minutes relative humidity before the heating season.

Electrical transport characteristics of single-layer organic devices from theory and experiment

NASA Astrophysics Data System (ADS)

Martin, S. J.; Walker, Alison B.; Campbell, A. J.; Bradley, D. D. C.

2005-09-01

An electrical model based on drift diffusion is described. We have explored systematically how the shape of the current density-voltage (J-V) curves is determined by the input parameters, information that isessential when deducing values of these parameters by fitting to experimental data for an ITO/PPV/Al organic light-emitting device (OLED), where ITO is shorthand for indium tin oxide and PPV is poly(phenylene vinylene). Our conclusion is that it is often possible to obtain a unique fit even with several parameters to fit. Our results allowing for a tunneling current show remarkable resemblance to experimental data before and after the contacts are conditioned. We have demonstrated our model on single-layer devices with ITO/PFO/Au and ITO/PEDOT/PFO/Au at room temperature and ITO/TPD/Al over temperatures from 130 to 290 K. PFO is shorthand for poly(9,9'-dialkyl-fluorene-2,7-dyl) and TPD is shorthand for N,N'-diphenyl-N,N'-bis(3-methylphenyl)1-1'-biphenyl-4,4'-diamine. Good fits to experimental data have been obtained, but in the case of the TPD device, only if a larger value for the relative permittivity ɛs than would be expected is used. We infer that a layer of dipoles at the ITO/TPD interface could be responsible for the observed J-V characteristics by locally causing changes in ɛs. The strong temperature dependence of the hole barrier height from fitting J-V characteristics to the experimental data may indicate that the temperature dependence of the thermionic emission model is incorrect.

Anchoring the Gas-Phase Acidity Scale from Hydrogen Sulfide to Pyrrole. Experimental Bond Dissociation Energies of Nitromethane, Ethanethiol, and Cyclopentadiene.

PubMed

Ervin, Kent M; Nickel, Alex A; Lanorio, Jerry G; Ghale, Surja B

2015-07-16

A meta-analysis of experimental information from a variety of sources is combined with statistical thermodynamics calculations to refine the gas-phase acidity scale from hydrogen sulfide to pyrrole. The absolute acidities of hydrogen sulfide, methanethiol, and pyrrole are evaluated from literature R-H bond energies and radical electron affinities to anchor the scale. Relative acidities from proton-transfer equilibrium experiments are used in a local thermochemical network optimized by least-squares analysis to obtain absolute acidities of 14 additional acids in the region. Thermal enthalpy and entropy corrections are applied using molecular parameters from density functional theory, with explicit calculation of hindered rotor energy levels for torsional modes. The analysis reduces the uncertainties of the absolute acidities of the 14 acids to within ±1.2 to ±3.3 kJ/mol, expressed as estimates of the 95% confidence level. The experimental gas-phase acidities are compared with calculations, with generally good agreement. For nitromethane, ethanethiol, and cyclopentadiene, the refined acidities can be combined with electron affinities of the corresponding radicals from photoelectron spectroscopy to obtain improved values of the C-H or S-H bond dissociation energies, yielding D298(H-CH2NO2) = 423.5 ± 2.2 kJ mol(-1), D298(C2H5S-H) = 364.7 ± 2.2 kJ mol(-1), and D298(C5H5-H) = 347.4 ± 2.2 kJ mol(-1). These values represent the best-available experimental bond dissociation energies for these species.

Investigation of Universal Behavior in Symmetric Diblock Copolymer Melts

NASA Astrophysics Data System (ADS)

Medapuram, Pavani

Coarse-grained theories of dense polymer liquids such as block copolymer melts predict a universal dependence of equilibrium properties on a few dimensionless parameters. For symmetric diblock copolymer melts, such theories predict a universal dependence on only chieN and N¯, where chie is an effective interaction parameter, N is the degree of polymerization, and N¯ is a measure of overlap. This thesis focuses on testing the universal behavior hypothesis by comparing results for various properties obtained from different coarse-grained simulation models to each other. Specifically, results from pairs of simulations of different models that have been designed to have matched values of N¯ are compared over a range of values of chiN. The use of vastly different simulation models allows us to cover a vast range of chi eN ≃ 200 - 8000 that includes most of the experimentally relevant range. Properties studied here include collective and single-chain correlations in the disordered phase, block and chain radii of gyration in the disordered phase, the value of chieN at the order-disorder transition (ODT), the free energy per chain, the latent heat of transition, the layer spacing, the composition profile, and compression modulus in the ordered phase. All results strongly support the universal scaling hypothesis, even for rather short chains, confirming that it is indeed possible to give an accurate universal description of simulation models that differ in many details. The underlying universality becomes apparent, however, only if data are analyzed using an adequate estimate of chie, which we obtained by fitting the structure factor S( q) in the disordered state to predictions of the recently developed renormalized one-loop (ROL) theory. The ROL theory is shown to provide an excellent description of the dependence of S(q on chain length and thermodynamic conditions for all models, even for very short chains, if we allow for the existence of a nonlinear dependence of the effective interaction parameter chie upon the strength of the AB repulsion. The results show that behavior near the ODT exhibits a different character at moderate and high values of N¯, with a crossover near N¯ ≃ 104. Within the range N¯ ≤sssim 104 studied in this work, the ordered and disordered phases near the ODT both contain strongly segregated domains of nearly pure A and B, in contrast to the assumption of weak segregation underlying the Fredrickson-Helfand (FH) theory. In this regime, the FH theory is inaccurate and substantially underestimates the value of chieN at the ODT. Results for the highest values of N¯ studied here agree reasonably well with FH predictions, suggesting that the theory may be accurate for N¯ gtrsim 104. Self-consistent field theory (SCFT) grossly underestimates (chieN)ODT for modest N¯ because it cannot describe strong correlations in the disordered phase. SCFT is found, however, to yield accurate predictions for several properties of the ordered lamellar phase. A detailed quantitative comparison of experimental results to theoretical predictions and obtained simulations results is also presented. Experimental results for structure factor obtained from small-angle neutron and X-ray scattering (SANS and SAXS) measurements are analyzed using methods closely analogous to those used to analyze simulation results. Peak scattering intensity results of different chain lengths of a AB pair are fitted to the ROL theory predictions in order to estimate the effective interaction parameter chi e(T) of the chemical system. The resulting chi e(T) estimates are used to obtain ODT values (chieN)ODT of different experimental systems, which we compare to the scaling law obtained from simulation results and to theoretical predictions. The results are largely consistent with the expected systematic decrease with increasing N¯ and lie closer to the simulations scaling law than to any theoretical prediction. These results confirm the overwhelming importance of fluctuation effects in systems with modest values of N¯ = 102 - 103, and the usefulness of coarse-grained simulations as a starting point for quantitative modeling.

Modern status of photonuclear data

NASA Astrophysics Data System (ADS)

Varlamov, V. V.; Ishkhanov, B. S.

2017-09-01

The reliability of experimental cross sections obtained for (γ, 1 n), (γ, 2 n), and (γ, 3 n) partial photoneutron reactions using beams of quasimonoenergetic annihilation photons and bremsstrahlung is analyzed by employing data for a large number of medium-heavy and heavy nuclei, including those of 63,65Cu, 80Se, 90,91,94Zr, 115In, 112-124Sn, 133Cs, 138Ba, 159Tb, 181Ta, 186-192Os, 197Au, 208Pb, and 209Bi. The ratios of the cross sections of definite partial reactions to the cross section of the neutron-yield reaction, F i = σ(γ, in)/ σ(γ, xn), are used as criteria of experimental-data reliability. By definition, positive values of these ratios should not exceed the upper limits of 1.00, 0.50, 0.33,... for i = 1, 2, 3,..., respectively. For many nuclei, unreliable values of the above ratios were found to correlate clearly in various photon-energy regions F i with physically forbidden negative values of cross sections of partial reactions. On this basis, one can conclude that correspondent experimental data are unreliable. Significant systematic uncertainties of the methods used to determine photoneutron multiplicity are shown to be the main reason for this. New partial-reaction cross sections that satisfy the above data-reliability criteria were evaluated within an experimental-theoretical method [ σ eval(γ, in) = F i theor (γ, in) × σ expt(γ, xn)] by employing the ratios F i theor (γ, in) calculated on the basis of a combined photonuclear-reaction model. It was obtained that cross sections evaluated in this way deviate substantially from the results of many experiments performed via neutron-multiplicity sorting, but, at the same time, agree with the results of alternative activation experiments. Prospects of employing methods that would provide, without recourse to photoneutron-multiplicity sorting, reliable data on cross sections of partial photoneutron reactions are discussed.

MUTUAL DIFFUSION OF PAIRS OF RARE GASES AT DIFFERENT TEMPERATURES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Srivastava, B.N.; Srivastava, K.P.

1959-04-01

The eoefficient of mutual diffusion of the binary gas mixtures Ne--Ar, Ar--Krs and Ne--Kr has been determined at 0, 15, 30s and 45 C. Diffusion is allowed to take place between two diffusion bulbs through a precision capillary tube and samples of gas are withdrawn from one bulb at different times and analyzed by a differential conductivity analyzer. From the experimentally determined values of the diffusion coefficient at different temperatures the unlike interaction parameters for the above gas pairs have been calculated by two different methods on the Lennard-Jones I2:6 model. These values of the force parameters are found tomore » be in good agreement with those obtained from the usual combination rules and also from the thermal diffusion data following the method of Srivastava and Madan. These values are found to reproduce the experimental data on mutual diffusion quite satisfactorily. With Kelvin's method, these data have also been utilized to calculate the self-diffusion coefficient of neon, argons and krypton. (auth)« less

Essential oils against foodborne pathogens and spoilage bacteria in minced meat.

PubMed

Barbosa, Lidiane Nunes; Rall, Vera Lucia Mores; Fernandes, Ana Angélica Henrique; Ushimaru, Priscila Ikeda; da Silva Probst, Isabella; Fernandes, Ary

2009-01-01

The antimicrobial activity of essential oils of oregano, thyme, basil, marjoram, lemongrass, ginger, and clove was investigated in vitro by agar dilution method and minimal inhibitory concentration (MIC) determination against Gram-positive (Staphylococcus aureus and Listeria monocytogenes) and Gram-negative strains (Escherichia coli and Salmonella Enteritidis). MIC(90%) values were tested against bacterial strains inoculated experimentally in irradiated minced meat and against natural microbiota (aerobic or facultative, mesophilic, and psychrotrophic bacteria) found in minced meat samples. MIC(90%) values ranged from 0.05%v/v (lemongrass oil) to 0.46%v/v (marjoram oil) to Gram-positive bacteria and from 0.10%v/v (clove oil) to 0.56%v/v (ginger oil) to Gram-negative strains. However, the MIC(90%) assessed on minced meat inoculated experimentally with foodborne pathogen strains and against natural microbiota of meat did not show the same effectiveness, and 1.3 and 1.0 were the highest log CFU/g reduction values obtained against tested microorganisms.

Systematic errors in the determination of the spectroscopic g-factor in broadband ferromagnetic resonance spectroscopy: A proposed solution

NASA Astrophysics Data System (ADS)

Gonzalez-Fuentes, C.; Dumas, R. K.; García, C.

2018-01-01

A theoretical and experimental study of the influence of small offsets of the magnetic field (δH) on the measurement accuracy of the spectroscopic g-factor (g) and saturation magnetization (Ms) obtained by broadband ferromagnetic resonance (FMR) measurements is presented. The random nature of δH generates systematic and opposite sign deviations of the values of g and Ms with respect to their true values. A δH on the order of a few Oe leads to a ˜10% error of g and Ms for a typical range of frequencies employed in broadband FMR experiments. We propose a simple experimental methodology to significantly minimize the effect of δH on the fitted values of g and Ms, eliminating their apparent dependence in the range of frequencies employed. Our method was successfully tested using broadband FMR measurements on a 5 nm thick Ni80Fe20 film for frequencies ranging between 3 and 17 GHz.

Essential Oils Against Foodborne Pathogens and Spoilage Bacteria in Minced Meat

PubMed Central

Barbosa, Lidiane Nunes; Rall, Vera Lucia Mores; Fernandes, Ana Angélica Henrique; Ushimaru, Priscila Ikeda; da Silva Probst, Isabella

2009-01-01

Abstract The antimicrobial activity of essential oils of oregano, thyme, basil, marjoram, lemongrass, ginger, and clove was investigated in vitro by agar dilution method and minimal inhibitory concentration (MIC) determination against Gram-positive (Staphylococcus aureus and Listeria monocytogenes) and Gram-negative strains (Escherichia coli and Salmonella Enteritidis). MIC90% values were tested against bacterial strains inoculated experimentally in irradiated minced meat and against natural microbiota (aerobic or facultative, mesophilic, and psychrotrophic bacteria) found in minced meat samples. MIC90% values ranged from 0.05%v/v (lemongrass oil) to 0.46%v/v (marjoram oil) to Gram-positive bacteria and from 0.10%v/v (clove oil) to 0.56%v/v (ginger oil) to Gram-negative strains. However, the MIC90% assessed on minced meat inoculated experimentally with foodborne pathogen strains and against natural microbiota of meat did not show the same effectiveness, and 1.3 and 1.0 were the highest log CFU/g reduction values obtained against tested microorganisms. PMID:19580445

Nuclear relaxation and vibrational contributions to the static electrical properties of polyatomic molecules: beyond the Hartree-Fock approximation

NASA Astrophysics Data System (ADS)

Luis, Josep M.; Martí, Josep; Duran, Miquel; Andrés, JoséL.

1997-04-01

Electronic and nuclear contributions to the static molecular electrical properties, along with the Stark tuning rate ( δνE ) and the infrared cross section changes ( δSE) have been calculated at the SCF level and at different correlated levels of theory, using a TZ2P basis set and finite field techniques. Nuclear contributions to these molecular properties have also been calculated using a recent analytical approach that allow both to check the accuracy of the finite field values, and to evaluate the importance of higher-order derivatives. The HF, CO, H 2O, H 2CO, and CH 4 molecules have been studied and the results compared to experimental date when available. The paper shows that nuclear relaxation and vibrational contributions must be included in order to obtain accurate values of the static electrical properties. Two different, combined approaches are proposed to predict experimental values of the electrical properties to an error smaller than 5%.

SU-F-BRD-16: Relative Biological Effectiveness of Double-Strand Break Induction for Modeling Cell Survival in Pristine Proton Beams of Different Dose-Averaged Linear Energy Transfers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peeler, C; Bronk, L; UT Graduate School of Biomedical Sciences at Houston, Houston, TX

2015-06-15

Purpose: High throughput in vitro experiments assessing cell survival following proton radiation indicate that both the alpha and the beta parameters of the linear quadratic model increase with increasing proton linear energy transfer (LET). We investigated the relative biological effectiveness (RBE) of double-strand break (DSB) induction as a means of explaining the experimental results. Methods: Experiments were performed with two lung cancer cell lines and a range of proton LET values (0.94 – 19.4 keV/µm) using an experimental apparatus designed to irradiate cells in a 96 well plate such that each column encounters protons of different dose-averaged LET (LETd). Traditionalmore » linear quadratic survival curve fitting was performed, and alpha, beta, and RBE values obtained. Survival curves were also fit with a model incorporating RBE of DSB induction as the sole fit parameter. Fitted values of the RBE of DSB induction were then compared to values obtained using Monte Carlo Damage Simulation (MCDS) software and energy spectra calculated with Geant4. Other parameters including alpha, beta, and number of DSBs were compared to those obtained from traditional fitting. Results: Survival curve fitting with RBE of DSB induction yielded alpha and beta parameters that increase with proton LETd, which follows from the standard method of fitting; however, relying on a single fit parameter provided more consistent trends. The fitted values of RBE of DSB induction increased beyond what is predicted from MCDS data above proton LETd of approximately 10 keV/µm. Conclusion: In order to accurately model in vitro proton irradiation experiments performed with high throughput methods, the RBE of DSB induction must increase more rapidly than predicted by MCDS above LETd of 10 keV/µm. This can be explained by considering the increased complexity of DSBs or the nature of intra-track pairwise DSB interactions in this range of LETd values. NIH Grant 2U19CA021239-35.« less

Naturally occurring levels of elements in fishes as determined by PIXE and XRF methods

NASA Astrophysics Data System (ADS)

Tallandini, L.; Giacobini, F.; Turchetto, M.; Galassini, S.; Liu, Q. X.; Shao, H. R.; Moschini, G.; Moro, R.; Gialanella, G.; Ghermandi, G.; Cecchi, R.; Injuk, J.; Valković, V.

1989-04-01

Naturally occurring levels of S, Cl, K, Ca, Cr, Mn, Fe, Ni, Cu, Zn, As, Se, Br, Sb, Sr and Pb were measured in the gills, liver and muscles of fishes ( Zosterisessor ophiocephalus Pall) in the northwestern region of the Adriatic Sea. The overall performance of PIXE and XRF methods was tested by the analysis of standard reference materials. The mean concentration values for elements were calculated from the distribution of experimentally determined concentration values. The obtained data are discussed in the framework of metal metabolism and toxicology.

Underwater gas tornado

NASA Astrophysics Data System (ADS)

Byalko, Alexey V.

2013-07-01

We present the first experimental observation of a new hydrodynamic phenomenon, the underwater tornado. Simple measurements show that the tornado forms a vortex of the Rankine type, i.e. the rising gas rotates as a solid body and the liquid rotates with a velocity decreasing hyperbolically with the radius. We obtain the dependence of the tornado radius a on the gas stream value j theoretically: a ∼ j2/5. Processing of a set of experiments yielded the value 0.36 for the exponent in this expression. We also report the initial stages of the theoretical study of this phenomenon.

Correlation between standard Charpy and sub-size Charpy test results of selected steels in upper shelf region

NASA Astrophysics Data System (ADS)

Konopík, P.; Džugan, J.; Bucki, T.; Rzepa, S.; Rund, M.; Procházka, R.

2017-02-01

Absorbed energy obtained from impact Charpy tests is one of the most important values in many applications, for example in residual lifetime assessment of components in service. Minimal absorbed energy is often the value crucial for extending components service life, e.g. turbines, boilers and steam lines. Using a portable electric discharge sampling equipment (EDSE), it is possible to sample experimental material non-destructively and subsequently produce mini-Charpy specimens. This paper presents a new approach in correlation from sub-size to standard Charpy test results.

An Experimental Study of Dropwise Condensation on Vertical Discs.

DTIC Science & Technology

1979-12-01

Tested--------------------- 45 Table II. Summary of Heat Transfer Results ---------------- 46 Table III. Thermophysical Properties of Pertinent Materials...flow for selected speci- ments. The values obtained for heat flux agreed within 22 per- cent. Using the values for heat flux, surface temperature and...4 n.* V- 4 n- C\\) *.- --t ~C m, z, C E-1 E-4 E-0 E4 46 N 4) ) Cd 4~ ~ C)4 S ) 0) 4- C) 4 0 4)0 .4E-4 UU I~ U 47 Thermophysical Properties 1. Thermal

SERS spectra of pyridine adsorbed on nickel film prepared by magnetron sputtering

NASA Astrophysics Data System (ADS)

Li, Daoyong; Ouyang, Yu; Chen, Li; Cao, Weiran; Shi, Shaohua

2011-02-01

As a repeating well and cheaper enhancement substrate, the nickel film was fabricated with magnetron sputtering coating instrument. Surface enhanced Raman spectra (SERS) of pyridine adsorbed on this nickel film are compared with the experimental values of gaseous pyridine, the theoretical value of pyridine solution listed in other literatures and our method is better than electro-chemical etching electrode method for large scale preparation. The enhancement factor of the nickel film is calculated and the result indicates that magnetron sputtering coating technology is feasible for obtaining good SERS active surface.

Engineering Design of Safe Automobile Front Strut Tower Brace with Predetermined Destruction

NASA Astrophysics Data System (ADS)

Mironenko, R. Ye; Balaev, E. Yu; Blednova, Zh M.

2018-03-01

This paper shows the developed design of an automobile front strut tower brace instantly breakable on reaching a predetermined value impact load, which allows the impact load not to be transferred to the opposite strut. An automobile front strut tower brace with the directed destruction V-shaped element using the SolidWorks and SolidWorks Simulations software complex was developed, designed and analyzed. The obtained data were confirmed experimentally. By changing geometric features of the V-shaped element, it is possible to change the impact load value required for its destruction.

Development of non-linear finite element computer code

NASA Technical Reports Server (NTRS)

Becker, E. B.; Miller, T.

1985-01-01

Recent work has shown that the use of separable symmetric functions of the principal stretches can adequately describe the response of certain propellant materials and, further, that a data reduction scheme gives a convenient way of obtaining the values of the functions from experimental data. Based on representation of the energy, a computational scheme was developed that allows finite element analysis of boundary value problems of arbitrary shape and loading. The computational procedure was implemental in a three-dimensional finite element code, TEXLESP-S, which is documented herein.

Determination of the Gravitational Constant with a Beam Balance

NASA Astrophysics Data System (ADS)

Schlamminger, St.; Holzschuh, E.; Kündig, W.

2002-09-01

The Newtonian gravitational constant G was determined by means of a novel beam-balance experiment with an accuracy comparable to that of the most precise torsion-balance experiments. The gravitational force of two stainless steel tanks filled with 13 521kg mercury on 1.1kg test masses was measured using a commercial mass comparator. A careful analysis of the data and the experimental error yields G=6.674 07(22)×10-11 m3 kg-1 s-2. This value is in excellent agreement with most values previously obtained with different methods.

An accurate density functional theory based estimation of pK(a) values of polar residues combined with experimental data: from amino acids to minimal proteins.

PubMed

Matsui, Toru; Baba, Takeshi; Kamiya, Katsumasa; Shigeta, Yasuteru

2012-03-28

We report a scheme for estimating the acid dissociation constant (pK(a)) based on quantum-chemical calculations combined with a polarizable continuum model, where a parameter is determined for small reference molecules. We calculated the pK(a) values of variously sized molecules ranging from an amino acid to a protein consisting of 300 atoms. This scheme enabled us to derive a semiquantitative pK(a) value of specific chemical groups and discuss the influence of the surroundings on the pK(a) values. As applications, we have derived the pK(a) value of the side chain of an amino acid and almost reproduced the experimental value. By using our computing schemes, we showed the influence of hydrogen bonds on the pK(a) values in the case of tripeptides, which decreases the pK(a) value by 3.0 units for serine in comparison with those of the corresponding monopeptides. Finally, with some assumptions, we derived the pK(a) values of tyrosines and serines in chignolin and a tryptophan cage. We obtained quite different pK(a) values of adjacent serines in the tryptophan cage; the pK(a) value of the OH group of Ser13 exposed to bulk water is 14.69, whereas that of Ser14 not exposed to bulk water is 20.80 because of the internal hydrogen bonds.

Ignition and Combustion of Bulk Metals in a Microgravity Environment

NASA Technical Reports Server (NTRS)

Branch, M. C.; Daily, J. W.; Abbud-Madrid, A.

1996-01-01

This annual report summarizes the latest results obtained in a NASA-supported project to investigate the effect of gravity on the ignition and combustion of bulk metals. The experimental arrangement used for this purpose consists of a 1000-W xenon lamp that irradiates the top surface of cylindrical titanium and magnesium specimens, 4 mm in diameter and 4 mm in height, in a quiescent, pure-oxygen environment at 1 atm. Reduced gravity is obtained from the NASA LeRC DC-9 aircraft flying parabolic trajectories. Values of critical and ignition temperatures are obtained from thermocouple records. Qualitative observations and propagation rates are extracted from high-speed cinematography. Emission spectra of gas-phase reactions are obtained with an imaging spectrograph/diode array system. It was found that high applied heating rates and large internal conduction losses generate critical and ignition temperatures that are several hundred degrees above the values obtained from isothermal experiments. Because of high conduction and radiation heat losses, no appreciable effect on ignition temperatures with reduced convection in low gravity is detected. Lower propagation rates of the molten interface on titanium and of ignition waves on magnesium are obtained at reduced gravity. These rates are compared to theoretical results from heat conduction analyses with a diffusion/convection controlled reaction. The close agreement found between experimental and theoretical values indicates the importance of the influence of natural convection-enhanced oxygen transport on combustion rates. Lower oxygen flux and lack of oxide product removal in the absence of convective currents appear to be responsible for longer burning times of magnesium diffusion flames at reduced gravity. The accumulation of condensed oxide particles in the flame front at low gravity produces a previously unreported unsteady explosion phenomenon in bulk magnesium flames. This spherically symmetric explosion phenomenon seems to be driven by increased radiation heat transfer from the flame front to an evaporating metal core covered by a porous, flexible oxide coating. These important results have revealed the significant role of gravity on the burning of metals, and are now being used as the database for future experiments to be conducted with different metals at various pressures, oxygen concentrations and gravity levels.

Heavy doping effects in high efficiency silicon solar cells

NASA Technical Reports Server (NTRS)

Lindholm, F. A.; Neugroschel, A.

1986-01-01

The temperature dependence of the emitter saturation current for bipolar devices was studied by varying the surface recombination velocity at the emitter surface. From this dependence, the value was derived for bandgap narrowing that is in better agreement with other determinations that were obtained from the temperature dependence measure on devices with ohmic contacts. Results of the first direct measurement of the minority-carrier transit time in a transparent heavily doped emitter layer were reported. The value was obtained by a high-frequency conductance method recently developed and used for doped Si. Experimental evidence is presented for significantly greater charge storage in highly excited silicon near room temperature than conventional theory would predict. These data are compared with various data for delta E sub G in heavily doped silicon.

QSPR models for various physical properties of carbohydrates based on molecular mechanics and quantum chemical calculations.

PubMed

Dyekjaer, Jane Dannow; Jónsdóttir, Svava Osk

2004-01-22

Quantitative Structure-Property Relationships (QSPR) have been developed for a series of monosaccharides, including the physical properties of partial molar heat capacity, heat of solution, melting point, heat of fusion, glass-transition temperature, and solid state density. The models were based on molecular descriptors obtained from molecular mechanics and quantum chemical calculations, combined with other types of descriptors. Saccharides exhibit a large degree of conformational flexibility, therefore a methodology for selecting the energetically most favorable conformers has been developed, and was used for the development of the QSPR models. In most cases good correlations were obtained for monosaccharides. For five of the properties predictions were made for disaccharides, and the predicted values for the partial molar heat capacities were in excellent agreement with experimental values.

Photometric method for determination of acidity constants through integral spectra analysis.

PubMed

Zevatskiy, Yuriy Eduardovich; Ruzanov, Daniil Olegovich; Samoylov, Denis Vladimirovich

2015-04-15

An express method for determination of acidity constants of organic acids, based on the analysis of the integral transmittance vs. pH dependence is developed. The integral value is registered as a photocurrent of photometric device simultaneously with potentiometric titration. The proposed method allows to obtain pKa using only simple and low-cost instrumentation. The optical part of the experimental setup has been optimized through the exclusion of the monochromator device. Thus it only takes 10-15 min to obtain one pKa value with the absolute error of less than 0.15 pH units. Application limitations and reliability of the method have been tested for a series of organic acids of various nature. Copyright © 2015 Elsevier B.V. All rights reserved.

Binding free energy prediction in strongly hydrophobic biomolecular systems.

PubMed

Charlier, Landry; Nespoulous, Claude; Fiorucci, Sébastien; Antonczak, Serge; Golebiowski, Jérome

2007-11-21

We present a comparison of various computational approaches aiming at predicting the binding free energy in ligand-protein systems where the ligand is located within a highly hydrophobic cavity. The relative binding free energy between similar ligands is obtained by means of the thermodynamic integration (TI) method and compared to experimental data obtained through isothermal titration calorimetry measurements. The absolute free energy of binding prediction was obtained on a similar system (a pyrazine derivative bound to a lipocalin) by TI, potential of mean force (PMF) and also by means of the MMPBSA protocols. Although the TI protocol performs poorly either with an explicit or an implicit solvation scheme, the PMF calculation using an implicit solvation scheme leads to encouraging results, with a prediction of the binding affinity being 2 kcal mol(-1) lower than the experimental value. The use of an implicit solvation scheme appears to be well suited for the study of such hydrophobic systems, due to the lack of water molecules within the binding site.

Determination of component volumes of lipid bilayers from simulations.

PubMed Central

Petrache, H I; Feller, S E; Nagle, J F

1997-01-01

An efficient method for extracting volumetric data from simulations is developed. The method is illustrated using a recent atomic-level molecular dynamics simulation of L alpha phase 1,2-dipalmitoyl-sn-glycero-3-phosphocholine bilayer. Results from this simulation are obtained for the volumes of water (VW), lipid (V1), chain methylenes (V2), chain terminal methyls (V3), and lipid headgroups (VH), including separate volumes for carboxyl (Vcoo), glyceryl (Vgl), phosphoryl (VPO4), and choline (Vchol) groups. The method assumes only that each group has the same average volume regardless of its location in the bilayer, and this assumption is then tested with the current simulation. The volumes obtained agree well with the values VW and VL that have been obtained directly from experiment, as well as with the volumes VH, V2, and V3 that require certain assumptions in addition to the experimental data. This method should help to support and refine some assumptions that are necessary when interpreting experimental data. Images FIGURE 4 PMID:9129826

On Mach's principle

NASA Astrophysics Data System (ADS)

Assis, A. K. T.

1989-08-01

We propose the postulate that the resultant force acting on any body is zero. With this postulate and with a Weber force law for gravitation, we obtain equations of motion and conclude that all inertial forces are due to gravitational interaction with other bodies in the universe, as suggested by Mach. We then obtain the same value for the advance of the perhelion of the planets as is given by general relativity. All this is accomplished in a strictly relational theory. Finally, we relate these points to topical questions of electrodynamics raised by the experimental studies of Graneau and Pappas.

NASTRAN buckling study of a linear induction motor reaction rail

NASA Technical Reports Server (NTRS)

Williams, J. G.

1973-01-01

NASTRAN was used to study problems associated with the installation of a linear induction motor reaction rail test track. Specific problems studied include determination of the critical axial compressive buckling stress and establishment of the lateral stiffness of the reaction rail under combined loads. NASTRAN results were compared with experimentally obtained values and satisfactory agreement was obtained. The reaction rail was found to buckle at an axial compressive stress of 11,400 pounds per square inch. The results of this investigation were used to select procedures for installation of the reaction rail.

Application of Box-Behnken design for ultrasonic-assisted extraction of polysaccharides from Paeonia emodi.

PubMed

Ahmad, Ajaz; Alkharfy, Khalid M; Wani, Tanveer A; Raish, Mohammad

2015-01-01

The objective of the present work was to study the ultrasonic assisted extraction and optimization of polysaccharides from Paeonia emodi and evaluation of its anti-inflammatory response. Specifically, the optimization of polysaccharides was carried out using Box-Behnken statistical experimental design. Response surface methodology (RSM) of three factors (extraction temperature, extraction time and liquid solid ratio) was employed to optimize the percentage yield of the polysaccharides. The experimental data were fitted to quadratic response surface models using multiple regression analysis with high coefficient of determination value (R) of 0.9906. The highest polysaccharide yield (8.69%) as per the Derringer's desirability prediction tool was obtained under the optimal extraction condition (extraction temperature 47.03 °C, extraction time 15.68 min, and liquid solid ratio 1.29 ml/g) with a desirability value of 0.98. These optimized values of tested parameters were validated under similar conditions (n = 6), an average of 8.13 ± 2.08% of polysaccharide yield was obtained in an optimized extraction conditions with 93.55% validity. The anti-inflammatory effect of polysaccharides of P. emodi were studied on carrageenan induced paw edema. In vivo results showed that the P. emodi 200mg/kg of polysaccharide extract exhibited strong potential against inflammatory response induced by 1% suspension of carrageenean in normal saline. Copyright © 2014 Elsevier B.V. All rights reserved.

The use of artificial neural network for modeling the decolourization of acid orange 7 solution of industrial by ozonation process

NASA Astrophysics Data System (ADS)

Fatimah, S.; Wiharto, W.

2017-02-01

Acid Orange 7 (AO7) is one of the synthetic dye in the dyeing process in the textile industry. The use of this dye can produce wastewater which will be endangered if not treated well. Ozonation method is one technique to solve this problem. Ozonation is a waste processing techniques using ozone as an oxidizing agent. Variables used in this research is the ozone concentration, the initial concentration of AO7, temperature, and pH. Based on the experimental result that the optimum value decolourization percentage is 80% when the ozone concentration is 560 mg/L, the initial concentration AO7 is 14 mg/L, the temperature is 390 °C, and pH is 7,6. Decolourization efficiency of experimental results and predictions successfully modelled by the neural network architecture. The data used to construct a neural network architecture quasi newton one step secant as many as 31 data. A comparison between the predicted results of the designed ANN models and experiment was conducted. From the modeling results obtained MAPE value of 0.7763%. From the results of this artificial neural network architecture obtained the optimum value decolourization percentage in 80,64% when the concentration of ozone is 550 mg/L, the initial concentration AO7 is 11 mg/L, the temperature is 41 °C, and the pH is 7.9.

Millimeter-wave spectroscopy of syn formyl azide (HC(O)N3) in seven vibrational states

NASA Astrophysics Data System (ADS)

Walters, Nicholas A.; Amberger, Brent K.; Esselman, Brian J.; Woods, R. Claude; McMahon, Robert J.

2017-01-01

Millimeter-wave spectra for formyl azide (HC(O)N3) were obtained from 240 to 360 GHz at ambient temperature. For the ground state of syn formyl azide, over 1500 independent rotational transitions were measured and least-squares fit to a complete S-reduced 8th order centrifugal distortion/rigid rotor Hamiltonian. The decomposition of formyl azide was monitored over a period of several hours, the half-life (t½ = 30 min) was determined, and its decomposition products were investigated. Transitions from five vibrational satellites of syn formyl azide (ν9, ν12, 2ν9, ν9 + ν12, and ν11) were observed, measured, and least-squares fit to complete or nearly complete octic centrifugally-distorted, single-state S-reduced models. A less complete single-state fit of 3ν9 (509.3 cm-1) was obtained from an unperturbed subset of its assignable transitions. This state is apparently coupled to the fundamental ν8 (489.4 cm-1) and the overtone 2ν12 (503.6 cm-1), but the coupling remains unanalyzed. Anharmonic CCSD(T)/ANO1 estimates of the vibrational frequencies of syn formyl azide were in close agreement with previously published experimental and computational values. Experimentally determined vibration-rotation interaction (αi) values were in excellent agreement with coupled-cluster predicted αi values for the fundamentals ν9, ν12, and ν11.

Estimating the solute transport parameters of the spatial fractional advection-dispersion equation using Bees Algorithm

NASA Astrophysics Data System (ADS)

Mehdinejadiani, Behrouz

2017-08-01

This study represents the first attempt to estimate the solute transport parameters of the spatial fractional advection-dispersion equation using Bees Algorithm. The numerical studies as well as the experimental studies were performed to certify the integrity of Bees Algorithm. The experimental ones were conducted in a sandbox for homogeneous and heterogeneous soils. A detailed comparative study was carried out between the results obtained from Bees Algorithm and those from Genetic Algorithm and LSQNONLIN routines in FracFit toolbox. The results indicated that, in general, the Bees Algorithm much more accurately appraised the sFADE parameters in comparison with Genetic Algorithm and LSQNONLIN, especially in the heterogeneous soil and for α values near to 1 in the numerical study. Also, the results obtained from Bees Algorithm were more reliable than those from Genetic Algorithm. The Bees Algorithm showed the relative similar performances for all cases, while the Genetic Algorithm and the LSQNONLIN yielded different performances for various cases. The performance of LSQNONLIN strongly depends on the initial guess values so that, compared to the Genetic Algorithm, it can more accurately estimate the sFADE parameters by taking into consideration the suitable initial guess values. To sum up, the Bees Algorithm was found to be very simple, robust and accurate approach to estimate the transport parameters of the spatial fractional advection-dispersion equation.

Estimating the solute transport parameters of the spatial fractional advection-dispersion equation using Bees Algorithm.

PubMed

Mehdinejadiani, Behrouz

2017-08-01

This study represents the first attempt to estimate the solute transport parameters of the spatial fractional advection-dispersion equation using Bees Algorithm. The numerical studies as well as the experimental studies were performed to certify the integrity of Bees Algorithm. The experimental ones were conducted in a sandbox for homogeneous and heterogeneous soils. A detailed comparative study was carried out between the results obtained from Bees Algorithm and those from Genetic Algorithm and LSQNONLIN routines in FracFit toolbox. The results indicated that, in general, the Bees Algorithm much more accurately appraised the sFADE parameters in comparison with Genetic Algorithm and LSQNONLIN, especially in the heterogeneous soil and for α values near to 1 in the numerical study. Also, the results obtained from Bees Algorithm were more reliable than those from Genetic Algorithm. The Bees Algorithm showed the relative similar performances for all cases, while the Genetic Algorithm and the LSQNONLIN yielded different performances for various cases. The performance of LSQNONLIN strongly depends on the initial guess values so that, compared to the Genetic Algorithm, it can more accurately estimate the sFADE parameters by taking into consideration the suitable initial guess values. To sum up, the Bees Algorithm was found to be very simple, robust and accurate approach to estimate the transport parameters of the spatial fractional advection-dispersion equation. Copyright © 2017 Elsevier B.V. All rights reserved.

Accurate determination of the binding energy of the formic acid dimer: The importance of geometry relaxation

NASA Astrophysics Data System (ADS)

Kalescky, Robert; Kraka, Elfi; Cremer, Dieter

2014-02-01

The formic acid dimer in its C2h-symmetrical cyclic form is stabilized by two equivalent H-bonds. The currently accepted interaction energy is 18.75 kcal/mol whereas the experimental binding energy D0 value is only 14.22 ±0.12 kcal/mol [F. Kollipost, R. W. Larsen, A. V. Domanskaya, M. Nörenberg, and M. A. Suhm, J. Chem. Phys. 136, 151101 (2012)]. Calculation of the binding energies De and D0 at the CCSD(T) (Coupled Cluster with Single and Double excitations and perturbative Triple excitations)/CBS (Complete Basis Set) level of theory, utilizing CCSD(T)/CBS geometries and the frequencies of the dimer and monomer, reveals that there is a 3.2 kcal/mol difference between interaction energy and binding energy De, which results from (i) not relaxing the geometry of the monomers upon dissociation of the dimer and (ii) approximating CCSD(T) correlation effects with MP2. The most accurate CCSD(T)/CBS values obtained in this work are De = 15.55 and D0 = 14.32 kcal/mol where the latter binding energy differs from the experimental value by 0.1 kcal/mol. The necessity of employing augmented VQZ and VPZ calculations and relaxing monomer geometries of H-bonded complexes upon dissociation to obtain reliable binding energies is emphasized.

One-dimensional analysis of the rate of plasma-assisted sputter deposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Palmero, A.; Rudolph, H.; Habraken, F. H. P. M.

2007-04-15

In this article a recently developed model [A. Palmero, H. Rudolph, and F. H. P. M. Habraken, Appl. Phys. Lett. 89, 211501 (2006)] is applied to analyze the transport of sputtered material from the cathode toward the growing film when using a plasma-assisted sputtering deposition technique. The argon pressure dependence of the deposition rate of aluminum, silicon, vanadium, chromium, germanium, tantalum, and tungsten under several different experimental conditions has been analyzed by fitting experimental results from the literature to the above-mentioned theory. Good fits are obtained. Three quantities are deduced from the fit: the temperature of the cathode and ofmore » the growing film, and the value of the effective cross section for thermalization due to elastic scattering of a sputtered particle on background gas atoms. The values derived from the fits for the growing film and cathode temperature are very similar to those experimentally determined and reported in the literature. The effective cross sections have been found to be approximately the corresponding geometrical cross section divided by the average number of collisions required for the thermalization, implying that the real and effective thermalization lengths have a similar value. Finally, the values of the throw distance appearing in the Keller-Simmons model, as well as its dependence on the deposition conditions have been understood invoking the values of the cathode and film temperature, as well as of the value of the effective cross section. The analysis shows the overall validity of this model for the transport of sputtered particles in sputter deposition.« less

Proton affinity of methyl nitrate - Less than proton affinity of nitric acid

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Rice, Julia E.

1992-01-01

Several state-of-the-art ab initio quantum mechanical methods were used to investigate the equilibrium structure, dipole moments, harmonic vibrational frequencies, and IR intensities of methyl nitrate, methanol, and several structures of protonated methyl nitrate, using the same theoretical methods as in an earlier study (Lee and Rice, 1992) of nitric acid. The ab initio results for methyl nitrate and methanol were found to be in good agreement with available experimental data. The proton affinity (PA) of methyl nitrate was calculated to be 176.9 +/-5 kcal/mol, in excellent agreement with the experimental value 176 kcal/mol obtained by Attina et al. (1987) and less than the PA value of nitric acid. An explanation of the discrepancy of the present results with those of an earlier study on protonated nitric acid is proposed.

Research on image complexity evaluation method based on color information

NASA Astrophysics Data System (ADS)

Wang, Hao; Duan, Jin; Han, Xue-hui; Xiao, Bo

2017-11-01

In order to evaluate the complexity of a color image more effectively and find the connection between image complexity and image information, this paper presents a method to compute the complexity of image based on color information.Under the complexity ,the theoretical analysis first divides the complexity from the subjective level, divides into three levels: low complexity, medium complexity and high complexity, and then carries on the image feature extraction, finally establishes the function between the complexity value and the color characteristic model. The experimental results show that this kind of evaluation method can objectively reconstruct the complexity of the image from the image feature research. The experimental results obtained by the method of this paper are in good agreement with the results of human visual perception complexity,Color image complexity has a certain reference value.

Liquid-liquid equilibria for water + ethanol + 2-methylpropyl ethanoate and water + ethanol + 1,2-dibromoethane at 298. 15 K

DOE Office of Scientific and Technical Information (OSTI.GOV)

Solimo, H.N.; Barnes de Arreguez, N.G.

1994-01-01

Liquid-liquid equilibrium, distribution coefficients, and selectivities of the systems water + ethanol + 2-methylpropyl ethanoate or + 1,2-dibromoethane have been determined at 298.15 K in order to evaluate their suitability in preferentially extracting ethanol from aqueous solution. Tie-line data were satisfactorily correlated by the Othmer and Tobias method, and the plait point coordinates for the two systems were estimated. The experimental data was compared with the values calculated by the NRTL and UNIQUAC models. The water + ethanol + 2-methylpropyl ethanoate system was also compared with the values predicted by the UNIFAC model. Poor qualitative agreement was obtained with thesemore » models. From the experimental results, they can conclude that both solvents are inappropriate for ethanol extraction processes from aqueous solutions.« less

A Model Parameter Extraction Method for Dielectric Barrier Discharge Ozone Chamber using Differential Evolution

NASA Astrophysics Data System (ADS)

Amjad, M.; Salam, Z.; Ishaque, K.

2014-04-01

In order to design an efficient resonant power supply for ozone gas generator, it is necessary to accurately determine the parameters of the ozone chamber. In the conventional method, the information from Lissajous plot is used to estimate the values of these parameters. However, the experimental setup for this purpose can only predict the parameters at one operating frequency and there is no guarantee that it results in the highest ozone gas yield. This paper proposes a new approach to determine the parameters using a search and optimization technique known as Differential Evolution (DE). The desired objective function of DE is set at the resonance condition and the chamber parameter values can be searched regardless of experimental constraints. The chamber parameters obtained from the DE technique are validated by experiment.

Determination of necking time in tensile test specimens, under high-temperature creep conditions, subjected to distribution of stresses over the cross-section

NASA Astrophysics Data System (ADS)

Lokoshchenko, A.; Teraud, W.

2018-04-01

The work describes an experimental research of creep of cylindrical tensile test specimens made of aluminum alloy D16T at a constant temperature of 400°C. The issue to be examined was the necking at different values of initial tensile stresses. The use of a developed noncontacting measuring system allowed us to see variations in the specimen shape and to estimate the true stress in various times. Based on the obtained experimental data, several criteria were proposed for describing the point of time at which the necking occurs (necking point). Calculations were carried out at various values of the parameters in these criteria. The relative interval of deformation time in which the test specimen is uniformly stretched was also determined.

The exponential parameterization of the neutrino mixing matrix as an SU(3) group element and an account for new experimental data

NASA Astrophysics Data System (ADS)

Zhukovsky, K. V.

2017-09-01

The exponential form of the Pontecorvo-Maki-Nakagawa-Sakata mixing matrix for neutrinos is considered in the context of the fundamental representation of the SU(3) group. The logarithm of the mixing matrix is obtained. Based on the most recent experimental data on neutrino mixing, the exact values of the entries of the exponential matrix are calculated. The exact values for its real and imaginary parts are determined, respectively, in charge of the mixing without CP violation and of the pure CP violation effect. The hypothesis of complementarity for quarks and neutrinos is confirmed. The factorization of the exponential mixing matrix, which allows the separation of the mixing and of the CP violation itself in the form of the product of rotations around the real and imaginary axes, is demonstrated.

Damage Progression in Buckle-Resistant Notched Composite Plates Loaded in Uniaxial Compression

NASA Technical Reports Server (NTRS)

McGowan, David M.; Davila, Carlos G.; Ambur, Damodar R.

2001-01-01

Results of an experimental and analytical evaluation of damage progression in three stitched composite plates containing an angled central notch and subjected to compression loading are presented. Parametric studies were conducted systematically to identify the relative effects of the material strength parameters on damage initiation and growth. Comparisons with experiments were conducted to determine the appropriate in situ values of strengths for progressive failure analysis. These parametric studies indicated that the in situ value of the fiber buckling strength is the most important parameter in the prediction of damage initiation and growth in these notched composite plates. Analyses of the damage progression in the notched, compression-loaded plates were conducted using in situ material strengths. Comparisons of results obtained from these analyses with experimental results for displacements and axial strains show good agreement.

Study on iron disilicide thermoelectric generator

NASA Astrophysics Data System (ADS)

Anderson, Gerald

1987-11-01

The first objective of the experimental work is to verify the characteristics of commercially available material. The Japanese company Komatsu Electronics Ltd., sells U-Shaped couples of FeSi2. Twenty-four couples are now in our laboratory. Each leg of the couple is made of one type (N or P) of material and the junction is placed directly into a flame. Being almost impossible to measure the hot junction temperature in the flame and to evaluate the heat flux going through the material between hot and cold junctions, we have designed an experimental assembly, suited to measure these values. The main problem is to obtain a good thermal contact for the hot junctions. If not, there is an important temperature drop between the hot source and the hot junction of the couple leading to wrong values of the characteristics.

Linear attenuation coefficients of tissues from 1 keV to 150 keV

NASA Astrophysics Data System (ADS)

Böke, Aysun

2014-09-01

The linear attenuation coefficients and three interaction processes have been computed for liver, kidney, muscle, fat and for a range of x-ray energies from 1 keV to 150 keV. Molecular photoelectric absorption cross sections were calculated from atomic cross section data. Total coherent (Rayleigh) and incoherent (Compton) scattering cross sections were obtained by numerical integration over combinations of F2m(x) with the Thomson formula and Sm(x) with the Klein-Nishina formula, respectively. For the coherent (Rayleigh) scattering cross section calculations, molecular form factors were obtained from recent experimental data in the literature for values of x<1 Å-1 and from the relativistic modified atomic form factors for values of x≥1 Å-1. With the inclusion of molecular interference effects in the coherent (Rayleigh) scattering, more accurate knowledge of the scatter from these tissues will be provided. The number of elements involved in tissue composition is 5 for liver, 47 for kidney, 44 for muscle and 3 for fat. The results are compared with previously published experimental and theoretical linear attenuation coefficients. In general, good agreement is obtained. The molecular form factors and scattering functions and cross sections are incorporated into a Monte Carlo program. The energy distributions of x-ray photons scattered from tissues have been simulated and the results are presented.

IR spectroscopy as a source of data on bond strengths

NASA Astrophysics Data System (ADS)

Finkelshtein, E. I.; Shamsiev, R. S.

2018-02-01

The aim of this work is the estimation of double bond strength, namely Cdbnd O bonds in ketones and aldehydes and Cdbnd C bonds in various compounds. By the breaking of these bonds one or both fragments formed are carbenes, for which experimental data on the enthalpies of formation (ΔHf298) are scarce. Thus for the estimation of ΔHf298 of the corresponding carbenes, the empirical equations were proposed based on different approximations. In addition, a quantum chemical calculations of the ΔHf298 values of carbenes were performed, and the data obtained were compared with experimental values and the results of earlier calculations. Equations for the calculation of Cdbnd O bond strengths of different ketones and aldehydes from the corresponding stretching frequencies ν(Cdbnd O) were derived. Using the proposed equations, the strengths of Cdbnd O bonds of 25 ketones and 12 conjugated aldehydes, as well as Cdbnd C bonds of 13 hydrocarbons and 7 conjugated aldehydes were estimated for the first time. Linear correlations of Cdbnd C and Cdbnd O bond strengths with the bond lengths were established, and the equations permitting the estimation of the double bond strengths and lengths with acceptable accuracy were obtained. Also, the strength of central Cdbnd C bond of stilbene was calculated for the first time. The uncertainty of the strengths of double bonds obtained may be regarded as accurate ±10-15 kJ/mol.

GNSS derived TEC data ingestion into IRI 2012

NASA Astrophysics Data System (ADS)

Migoya-Orué, Yenca; Nava, Bruno; Radicella, Sandro; Alazo-Cuartas, Katy

2015-04-01

Experimental vertical total electron content (VTEC) data given by Global Ionospheric Maps (GIM) has been ingested into the IRI version 2012, aiming to obtain grids of effective input parameter values that allow to minimize the difference between the experimental and modeled vertical TEC. Making use of the experience gained with the technique of model adaptation applied to NeQuick (Nava et al., 2005), it has been found possible to compute IRI world grids of effective ionosphere index parameters (IG). The IG grids thus obtained can be interpolated in space and time to calculate with IRI the 3D electron density at any location and also the TEC along any ground-to-satellite ray-path for a given epoch. In this study, the ingestion technique is presented and a posteriori validation, along with an assessment of the capability of the 'ingested' IRI to reproduce the ionosphere day-to-day foF2 variability during disturbed and quiet periods. The foF2 values retrieved are compared with data from about 20 worldwide ionosondes for selected periods of high (year 2000) and moderate to low solar activity (year 2006). It was found that the use of the ingestion scheme enhances the performance of the model when compared with its standard use based on solar activity drivers (R12 and F10.7), especially for high solar activity. As an example, the mean and standard deviation of the differences between experimental and reconstructed F2-peak values for April of year 2000 is 0.09 and 1.28 MHz for ingested IRI, compared to -0.81 and 1.27 MHz (IRI with R12 input) and -0.02 and 1.46 MHz (IRI with F10.7 input).

Effectiveness of Student Learning during Experimental Work in Primary School.

PubMed

Logar, Ana; Peklaj, Cirila; Ferk Savec, Vesna

2017-09-01

The aim of the research was to optimize the effectiveness of student learning based on experimental work in chemistry classes in Slovenian primary schools. To obtain evidence about how experimental work is implemented during regular chemistry classes, experimental work was videotaped during 19 units of chemistry lessons at 12 Slovenian primary schools from the pool of randomly selected schools. Altogether 332 eight-grade students were involved in the investigation, with an average age of 14.2 years. Students were videotaped during chemistry lessons, and their worksheets were collected afterward. The 12 chemistry teachers, who conducted lessons in these schools, were interviewed before the lessons; their teaching plans were also collected. The collected data was analyzed using qualitative methods. The results indicate that many teachers in Slovenian primary schools are not fully aware of the potential of experimental work integrated into chemistry lessons for the development of students' experimental competence. Further research of the value of different kinds of training to support teachers for the use of experimental work in chemistry teaching is needed.

Application of D-optimal experimental design method to optimize the formulation of O/W cosmetic emulsions.

PubMed

Djuris, J; Vasiljevic, D; Jokic, S; Ibric, S

2014-02-01

This study investigates the application of D-optimal mixture experimental design in optimization of O/W cosmetic emulsions. Cetearyl glucoside was used as a natural, biodegradable non-ionic emulsifier in the relatively low concentration (1%), and the mixture of co-emulsifiers (stearic acid, cetyl alcohol, stearyl alcohol and glyceryl stearate) was used to stabilize the formulations. To determine the optimal composition of co-emulsifiers mixture, D-optimal mixture experimental design was used. Prepared emulsions were characterized with rheological measurements, centrifugation test, specific conductivity and pH value measurements. All prepared samples appeared as white and homogenous creams, except for one homogenous and viscous lotion co-stabilized by stearic acid alone. Centrifugation testing revealed some phase separation only in the case of sample co-stabilized using glyceryl stearate alone. The obtained pH values indicated that all samples expressed mild acid value acceptable for cosmetic preparations. Specific conductivity values are attributed to the multiple phases O/W emulsions with high percentages of fixed water. Results of the rheological measurements have shown that the investigated samples exhibited non-Newtonian thixotropic behaviour. To determine the influence of each of the co-emulsifiers on emulsions properties, the obtained results were evaluated by the means of statistical analysis (ANOVA test). On the basis of comparison of statistical parameters for each of the studied responses, mixture reduced quadratic model was selected over the linear model implying that interactions between co-emulsifiers play the significant role in overall influence of co-emulsifiers on emulsions properties. Glyceryl stearate was found to be the dominant co-emulsifier affecting emulsions properties. Interactions between the glyceryl stearate and other co-emulsifiers were also found to significantly influence emulsions properties. These findings are especially important as they can be used for development of the product that meets users' requirements, as represented in the study. © 2013 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

Kinetic parameters of the GUINEVERE reference configuration in VENUS-F reactor obtained from a pile noise experiment using Rossi and Feynman methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Geslot, Benoit; Pepino, Alexandra; Blaise, Patrick

A pile noise measurement campaign has been conducted by the CEA in the VENUS-F reactor (SCK-CEN, Mol Belgium) in April 2011 in the reference critical configuration of the GUINEVERE experimental program. The experimental setup made it possible to estimate the core kinetic parameters: the prompt neutron decay constant, the delayed neutron fraction and the generation time. A precise assessment of these constants is of prime importance. In particular, the effective delayed neutron fraction is used to normalize and compare calculated reactivities of different subcritical configurations, obtained by modifying either the core layout or the control rods position, with experimental onesmore » deduced from the analysis of measurements. This paper presents results obtained with a CEA-developed time stamping acquisition system. Data were analyzed using Rossi-α and Feynman-α methods. Results were normalized to reactor power using a calibrated fission chamber with a deposit of Np-237. Calculated factors were necessary to the analysis: the Diven factor was computed by the ENEA (Italy) and the power calibration factor by the CNRS/IN2P3/LPC Caen. Results deduced with both methods are consistent with respect to calculated quantities. Recommended values are given by the Rossi-α estimator, that was found to be the most robust. The neutron generation time was found equal to 0.438 ± 0.009 μs and the effective delayed neutron fraction is 765 ± 8 pcm. Discrepancies with the calculated value (722 pcm, calculation from ENEA) are satisfactory: -5.6% for the Rossi-α estimate and -2.7% for the Feynman-α estimate. (authors)« less

Influences of the third and fourth nearest neighbouring interactions on the surface anisotropy of face-centred-cubic metals

NASA Astrophysics Data System (ADS)

Luo, Yongkun; Qin, Rongshan

2014-06-01

The structure and the anisotropic properties of the surfaces of face-centred-cubic (FCC) metals have been studied using the broken-bond model while considering the third and fourth nearest neighbouring (3rd and 4th NN) interactions. The pair potential expressions are obtained using the Rose-Vinet universal potential equation. The model is suitable for calculation of the property of a surface with arbitrary crystallographic orientations and can provide absolute unrelaxed surface energy values using three input parameters, namely the lattice constant, bulk modulus and cohesive energy. These parameters are available for the majority of FCC metals. The numerical results for 7 FCC metals have been obtained and compared with these obtained from ab initio calculations and experimental measurements. Good agreement is observed between the two. Taking into account up to the 4th NN interactions, the overall surface energy anisotropy for FCC metals was found to be between 12% to 16%, and the ratio between the surface energies at (100) and (111) planes was found to be 1.05. These values are less than those reported by conventional calculations but more similar to experimental measurements. It is found that the strength of 3rd and 4th NN interactions differs from one element to another, the Ni and Cu interactions being the most significant while the Au, Pt and Pb interactions are the least significant. This suggests that the polar diagrams of the surface energy of Ni and Cu are different from those of Au, Pt and Pb by showing cusps of the unconventional {110} and high-index {210}, {311} and possibly {135} poles. This provides explanations to the recent experimental observations of the {110}, {210}, {311} and {135} facets in equilibrated Ni and Cu crystallines.

Vacuum Nanohole Array Embedded Phosphorescent Organic Light Emitting Diodes

PubMed Central

Jeon, Sohee; Lee, Jeong-Hwan; Jeong, Jun-Ho; Song, Young Seok; Moon, Chang-Ki; Kim, Jang-Joo; Youn, Jae Ryoun

2015-01-01

Light extraction from organic light-emitting diodes that utilize phosphorescent materials has an internal efficiency of 100% but is limited by an external quantum efficiency (EQE) of 30%. In this study, extremely high-efficiency organic light emitting diodes (OLEDs) with an EQE of greater than 50% and low roll-off were produced by inserting a vacuum nanohole array (VNHA) into phosphorescent OLEDs (PhOLEDs). The resultant extraction enhancement was quantified in terms of EQE by comparing experimentally measured results with those produced from optical modeling analysis, which assumes the near-perfect electric characteristics of the device. A comparison of the experimental data and optical modeling results indicated that the VNHA extracts the entire waveguide loss into the air. The EQE obtained in this study is the highest value obtained to date for bottom-emitting OLEDs. PMID:25732061

In vivo measurement of mechanical properties of human long bone by using sonic sound

NASA Astrophysics Data System (ADS)

Hossain, M. Jayed; Rahman, M. Moshiur; Alam, Morshed

2016-07-01

Vibration analysis has evaluated as non-invasive techniques for the in vivo assessment of bone mechanical properties. The relation between the resonant frequencies, long bone geometry and mechanical properties can be obtained by vibration analysis. In vivo measurements were performed on human ulna as a simple beam model with an experimental technique and associated apparatus. The resonant frequency of the ulna was obtained by Fast Fourier Transformation (FFT) analysis of the vibration response of piezoelectric accelerometer. Both elastic modulus and speed of the sound were inferred from the resonant frequency. Measurement error in the improved experimental setup was comparable with the previous work. The in vivo determination of bone elastic response has potential value in screening programs for metabolic bone disease, early detection of osteoporosis and evaluation of skeletal effects of various therapeutic modalities.

Characterization and comparison of perezone with some analogues. Experimental and theoretical study

NASA Astrophysics Data System (ADS)

Escobedo-González, Rene Gerardo; Bahena, Luis; Arias Tellez, José Luis; Hinojosa Torres, Jaime; Ruvalcaba, Rene Miranda; Aceves-Hernández, Juan Manuel

2015-10-01

Perezone had been used for centuries in the traditional Mexican medicine, it is useful and a handful of illness. Perezone and other derivatives also present activity against certain lines of cancer, such as the myeloblastoid leukemia cell line K-562 and carcinoma cell lines (PC-3 and SKLU-1) with IC50 <10 μM. Perezone and isoperezone have shown the major cytotoxic potency. Characterization of perezone was carried out by UV-Visible, IR, DSC, TGA and powder X-ray diffraction, as well as docking studies using caspase-3 structures as receptors. Theoretical studies for optimizing the geometry of perezone were carried out and the results compared with values of single crystal X-ray diffraction. The experimental values of atomic distances, angles and dihedral angles are in good agreement with the theoretical values. Interaction of perezone with the cysteine catalytic site with the caspase-3 was found in the docking studies. A docking study of perezone, with horminone, thymoquinone and isoperezone as ligands and the protein apoptein, caspase-3 as receptor, was carried to demonstrate that the hindrance steric factor, chemical structure and the functional groups are important in the biological activity of these natural products. The docking score energetic values are in good agreement with the experimental cytotoxic results obtained from the experiments when perezone and analogues were studied in different types of cancer.

Experimental studies on ion mobility in xenon-trimethylamine mixtures

NASA Astrophysics Data System (ADS)

Trindade, A. M. F.; Encarnação, P. M. C. C.; Escada, J.; Cortez, A. F. V.; Neves, P. N. B.; Conde, C. A. N.; Borges, F. I. G. M.; Santos, F. P.

2017-07-01

In this paper we present experimental results for ion reduced mobilities (K0) in gaseous trimethylamine, TMA—(CH3)3N, and xenon-TMA mixtures for reduced electric fields E/N between 7.5 and 60 Td and in the pressure range from 0.5 to 10 Torr, at room temperature. Both in the mixtures and in pure TMA only one peak was observed in the time of arrival spectra, which is believed to be due to two TMA ions with similar mass, (CH3)3N+ (59 u) and (CH3)2CH2N+ (58 u), whose mobility is indistinguishable in our experimental system. The possibility of ion cluster formation is also discussed. In pure TMA, for the E/N range investigated, an average value of 0.56 cm2V-1s-1 was obtained for the reduced mobility of TMA ions. For the studied mixtures, it was observed that even a very small amount of gaseous TMA (~0.2%) in xenon leads to the production of the above referred TMA ions or clusters. The reduced mobility value of this ion or ions in Xe-TMA mixtures is higher than the value in pure TMA: around 0.8 cm2V-1s-1 for TMA concentrations from 0.2% to about 10%, decreasing for higher TMA percentages, eventually converging to the reduced mobility value in pure TMA.

A combined experimental and DFT study of a novel unsymmetrical azine 2-(4-methoxybenzylidene)-1-(1-(4-isobutylphenyl) ethylidene) hydrazine

NASA Astrophysics Data System (ADS)

Vijaya, P.; Sankaran, K. R.

2015-03-01

A novel unsymmetrical azine 2-(4-methoxybenzylidene)-1-(1-(4-isobutylphenyl) ethylidene) hydrazine (UA) was prepared and characterized by IR, 1H and 13C NMR spectral studies. A 2D - potential energy scan (PES) of p-isobutylacetophenone (IBAP) was the portal to the conformational analysis of UA by density functional theory (DFT) methods using 6-31G(d,p) basis set by Gaussian 03 program. The theoretical IR frequencies were found to be in good agreement with the experimental values. The IR frequencies of UA were analyzed by means of Potential energy Distribution (PED %) calculation using Vibrational Energy Distribution Analysis (VEDA 4) program. The experimental NMR chemical shift values of UA were compared with the theoretical values obtained by DFT method. Nonlinear optical behavior of the unsymmetrical azine is also examined by the theoretically predicted values of dipole moment (μ), polarizability (α0) and first hyperpolarizability (βtot). Stability of the UA molecule has been analyzed using NBO analysis. The electrochemistry of UA studied experimentally by cyclic voltammetry is complemented by the computational analysis of the anionic form of the molecule UA. The determination of various global and local reactivity descriptors in the context of chemical reactivity is also performed and the electrophilicity at the vital atomic sites in UA is revealed. Bader's Atoms in molecules (AIM) theory of UA indicated the presence of intramolecular hydrogen bonding in the molecule. The molecular electrostatic potential (MEP) and HOMO-LUMO orbital analysis are also performed for the molecule UA.

A combined experimental and DFT study of a novel unsymmetrical azine 2-(4-methoxybenzylidene)-1-(1-(4-isobutylphenyl) ethylidene) hydrazine.

PubMed

Vijaya, P; Sankaran, K R

2015-03-05

A novel unsymmetrical azine 2-(4-methoxybenzylidene)-1-(1-(4-isobutylphenyl) ethylidene) hydrazine (UA) was prepared and characterized by IR, (1)H and (13)C NMR spectral studies. A 2D - potential energy scan (PES) of p-isobutylacetophenone (IBAP) was the portal to the conformational analysis of UA by density functional theory (DFT) methods using 6-31G(d,p) basis set by Gaussian 03 program. The theoretical IR frequencies were found to be in good agreement with the experimental values. The IR frequencies of UA were analyzed by means of Potential energy Distribution (PED %) calculation using Vibrational Energy Distribution Analysis (VEDA 4) program. The experimental NMR chemical shift values of UA were compared with the theoretical values obtained by DFT method. Nonlinear optical behavior of the unsymmetrical azine is also examined by the theoretically predicted values of dipole moment (μ), polarizability (α0) and first hyperpolarizability (βtot). Stability of the UA molecule has been analyzed using NBO analysis. The electrochemistry of UA studied experimentally by cyclic voltammetry is complemented by the computational analysis of the anionic form of the molecule UA. The determination of various global and local reactivity descriptors in the context of chemical reactivity is also performed and the electrophilicity at the vital atomic sites in UA is revealed. Bader's Atoms in molecules (AIM) theory of UA indicated the presence of intramolecular hydrogen bonding in the molecule. The molecular electrostatic potential (MEP) and HOMO-LUMO orbital analysis are also performed for the molecule UA. Copyright © 2014 Elsevier B.V. All rights reserved.

Experimental determination of pCo perturbation factors for plane-parallel chambers

NASA Astrophysics Data System (ADS)

Kapsch, R. P.; Bruggmoser, G.; Christ, G.; Dohm, O. S.; Hartmann, G. H.; Schüle, E.

2007-12-01

For plane-parallel chambers used in electron dosimetry, modern dosimetry protocols recommend a cross-calibration against a calibrated cylindrical chamber. The rationale for this is the unacceptably large (up to 3-4%) chamber-to-chamber variations of the perturbation factors (pwall)Co, which have been reported for plane-parallel chambers of a given type. In some recent publications, it was shown that this is no longer the case for modern plane-parallel chambers. The aims of the present study are to obtain reliable information about the variation of the perturbation factors for modern types of plane-parallel chambers, and—if this variation is found to be acceptably small—to determine type-specific mean values for these perturbation factors which can be used for absorbed dose measurements in electron beams using plane-parallel chambers. In an extensive multi-center study, the individual perturbation factors pCo (which are usually assumed to be equal to (pwall)Co) for a total of 35 plane-parallel chambers of the Roos type, 15 chambers of the Markus type and 12 chambers of the Advanced Markus type were determined. From a total of 188 cross-calibration measurements, variations of the pCo values for different chambers of the same type of at most 1.0%, 0.9% and 0.6% were found for the chambers of the Roos, Markus and Advanced Markus types, respectively. The mean pCo values obtained from all measurements are \\bar{p}^Roos_Co = 1.0198, \\bar{p}^Markus_Co = 1.0175 and \\bar{p}^Advanced_Co = 1.0155 ; the relative experimental standard deviation of the individual pCo values is less than 0.24% for all chamber types; the relative standard uncertainty of the mean pCo values is 1.1%.

A multi-state fragment charge difference approach for diabatic states in electron transfer: Extension and automation

NASA Astrophysics Data System (ADS)

Yang, Chou-Hsun; Hsu, Chao-Ping

2013-10-01

The electron transfer (ET) rate prediction requires the electronic coupling values. The Generalized Mulliken-Hush (GMH) and Fragment Charge Difference (FCD) schemes have been useful approaches to calculate ET coupling from an excited state calculation. In their typical form, both methods use two eigenstates in forming the target charge-localized diabatic states. For problems involve three or four states, a direct generalization is possible, but it is necessary to pick and assign the locally excited or charge-transfer states involved. In this work, we generalize the 3-state scheme for a multi-state FCD without the need of manual pick or assignment for the states. In this scheme, the diabatic states are obtained separately in the charge-transfer or neutral excited subspaces, defined by their eigenvalues in the fragment charge-difference matrix. In each subspace, the Hamiltonians are diagonalized, and there exist off-diagonal Hamiltonian matrix elements between different subspaces, particularly the charge-transfer and neutral excited diabatic states. The ET coupling values are obtained as the corresponding off-diagonal Hamiltonian matrix elements. A similar multi-state GMH scheme can also be developed. We test the new multi-state schemes for the performance in systems that have been studied using more than two states with FCD or GMH. We found that the multi-state approach yields much better charge-localized states in these systems. We further test for the dependence on the number of state included in the calculation of ET couplings. The final coupling values are converged when the number of state included is increased. In one system where experimental value is available, the multi-state FCD coupling value agrees better with the previous experimental result. We found that the multi-state GMH and FCD are useful when the original two-state approach fails.

Prediction of glass transition temperature of freeze-dried formulations by molecular dynamics simulation.

PubMed

Yoshioka, Sumie; Aso, Yukio; Kojima, Shigeo

2003-06-01

To examine whether the glass transition temperature (Tg) of freeze-dried formulations containing polymer excipients can be accurately predicted by molecular dynamics simulation using software currently available on the market. Molecular dynamics simulations were carried out for isomaltodecaose, a fragment of dextran, and alpha-glucose, the repeated unit of dextran. in the presence or absence of water molecules. Estimated values of Tg were compared with experimental values obtained by differential scanning calorimetry (DSC). Isothermal-isobaric molecular dynamics simulations (NPTMD) and isothermal molecular dynamics simulations at a constant volume (NVTMD) were carried out using the software package DISCOVER (Material Studio) with the Polymer Consortium Force Field. Mean-squared displacement and radial distribution function were calculated. NVTMD using the values of density obtained by NPTMD provided the diffusivity of glucose-ring oxygen and water oxygen in amorphous alpha-glucose and isomaltodecaose, which exhibited a discontinuity in temperature dependence due to glass transition. Tg was estimated to be approximately 400K and 500K for pure amorphous a-glucose and isomaltodecaose, respectively, and in the presence of one water molecule per glucose unit, Tg was 340K and 360K, respectively. Estimated Tg values were higher than experimentally determined values because of the very fast cooling rates in the simulations. However, decreases in Tg on hydration and increases in Tg associated with larger fragment size could be demonstrated. The results indicate that molecular dynamics simulation is a useful method for investigating the effects of hydration and molecular weight on the Tg of lyophilized formulations containing polymer excipients. although the relationship between cooling rates and Tg must first be elucidated to predict Tg vales observed by DSC measurement. January 16.

A wavelet ridge extraction method employing a novel cost function in two-dimensional wavelet transform profilometry

NASA Astrophysics Data System (ADS)

Wang, Jianhua; Yang, Yanxi

2018-05-01

We present a new wavelet ridge extraction method employing a novel cost function in two-dimensional wavelet transform profilometry (2-D WTP). First of all, the maximum value point is extracted from two-dimensional wavelet transform coefficient modulus, and the local extreme value points over 90% of maximum value are also obtained, they both constitute wavelet ridge candidates. Then, the gradient of rotate factor is introduced into the Abid's cost function, and the logarithmic Logistic model is used to adjust and improve the cost function weights so as to obtain more reasonable value estimation. At last, the dynamic programming method is used to accurately find the optimal wavelet ridge, and the wrapped phase can be obtained by extracting the phase at the ridge. Its advantage is that, the fringe pattern with low signal-to-noise ratio can be demodulated accurately, and its noise immunity will be better. Meanwhile, only one fringe pattern is needed to projected to measured object, so dynamic three-dimensional (3-D) measurement in harsh environment can be realized. Computer simulation and experimental results show that, for the fringe pattern with noise pollution, the 3-D surface recovery accuracy by the proposed algorithm is increased. In addition, the demodulation phase accuracy of Morlet, Fan and Cauchy mother wavelets are compared.

Atomic oxygen recombination on quartz at high temperature: experiments and molecular dynamics simulation.

PubMed

Bedra, L; Rutigliano, M; Balat-Pichelin, M; Cacciatore, M

2006-08-15

A joint experimental and theoretical approach has been developed to study oxygen atom recombination on a beta-quartz surface. The experimental MESOX setup has been applied for the direct measurement of the atomic oxygen recombination coefficient gamma at T(S) = 1000 K. The time evolution of the relative atomic oxygen concentration in the cell is described by the diffusion equation because the mean free path of the atoms is less than the characteristic dimension of the reactor. The recombination coefficient gamma is then calculated from the concentration profile obtained by visible spectroscopy. We get an experimental value of gamma = 0.008, which is a factor of about 3 less than the gamma value reported for O recombination over beta-cristobalite. The experimental results are discussed and compared with the semiclassical collision dynamics calculations performed on the same catalytic system aimed at determining the basic features of the surface catalytic activity. Agreement, both qualitative and quantitative, between the experimental and the theoretical recombination coefficients has been found that supports the Eley-Rideal recombination mechanism and gives more evidence of the impact that surface crystallographic variation has on catalytic activity. Also, several interesting aspects concerning the energetics and the mechanism of the surface processes involving the oxygen atoms are pointed out and discussed.

Determination of effective resonance energy for the 193Ir(n,γ)194Ir reaction by the cadmium ratio method

NASA Astrophysics Data System (ADS)

Budak, Mustafa Guray; Karadag, Mustafa; Yücel, Haluk

2016-04-01

In this work, the effective resonance energy, Ebarr -value for the 193Ir(n,γ)194Ir reaction was measured using cadmium ratio method. A dual monitor (197Au-98Mo), which has convenient resonance properties, was employed for characterization of the irradiation sites. Then analytical grade iridium oxide samples diluted with CaCO3 to lower neutron self-shielding effect stacked in small cylindrical Teflon boxes were irradiated once with a 1 mm thick Cd cylindrical box placed in a thermalized neutron field of an 241Am-Be neutron source then without it. The activities produced in samples during 193Ir(n,γ)194Ir reaction were measured using a p-type HPGe detector γ-ray spectrometer with a 44.8% relative efficiency. The correction factors for thermal, epithermal neutron self-shielding (Gth, Gepi), true coincidence summing (Fcoi) and gamma-ray self-absorption (Fs) effects were determined with appropriate approaches and programs. Thus, the experimental Ebarr -value was determined to be 2.65 ± 0.61 eV for 193Ir target nuclide. The recent data for Q0 and FCd values for Ebarr determination were based on k0-NAA online database. The present experimental Ebarr value was calculated and compared with more recent values for Q0 and FCd for 193Ir. Additionally, the Ebarr -values was theoretically calculated from the up-to-date resonance data obtained from ENDF/B VII library using two different approaches. Since there is no experimentally determined Ebarr -value for the 193Ir isotope, the results are compared with the calculated ones given in the literature.

Demonstrations of Magnetic Phenomena: Measuring the Air Permeability Using Tablets

ERIC Educational Resources Information Center

Lara, V. O. M.; Amaral, D. F.; Faria, D.; Vieira, L. P.

2014-01-01

We use a tablet to experimentally determine the dependencies of the magnetic field (B) on the electrical current and the axial distance from a coil (z). Our data shows good precision on the inverse cubic dependence of the magnetic field on the axial distance, B?z[superscript -3]. We obtain the value of air permeability µ[subscript air] with good…

Small diameter symmetric networks from linear groups

NASA Technical Reports Server (NTRS)

Campbell, Lowell; Carlsson, Gunnar E.; Dinneen, Michael J.; Faber, Vance; Fellows, Michael R.; Langston, Michael A.; Moore, James W.; Multihaupt, Andrew P.; Sexton, Harlan B.

1992-01-01

In this note is reported a collection of constructions of symmetric networks that provide the largest known values for the number of nodes that can be placed in a network of a given degree and diameter. Some of the constructions are in the range of current potential engineering significance. The constructions are Cayley graphs of linear groups obtained by experimental computation.