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Sample records for calculational constants volume

  1. Gravitational constant calculation methodologies

    OpenAIRE

    Shakhparonov, V. M.; Karagioz, O. V.; Izmailov, V. P.

    2011-01-01

    We consider the gravitational constant calculation methodologies for a rectangular block of the torsion balance body presented in the papers Phys. Rev. Lett. 102, 240801 (2009) and Phys.Rev. D. 82, 022001 (2010). We have established the influence of non-equilibrium gas flows on the obtained values of G.

  2. Arrhenius Rate: constant volume burn

    Energy Technology Data Exchange (ETDEWEB)

    Menikoff, Ralph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-12-06

    A constant volume burn occurs for an idealized initial state in which a large volume of reactants at rest is suddenly raised to a high temperature and begins to burn. Due to the uniform spatial state, there is no fluid motion and no heat conduction. This reduces the time evolu tion to an ODE for the reaction progress variable. With an Arrhenius reaction rate, two characteristics of thermal ignition are illustrated: induction time and thermal runaway. The Frank-Kamenetskii approximation then leads to a simple expression for the adiabatic induction time. For a first order reaction, the analytic solution is derived and used to illustrate the effect of varying the activation temperature; in particular, on the induction time. In general, the ODE can be solved numerically. This is used to illustrate the effect of varying the reaction order. We note that for a first order reaction, the time evolution of the reaction progress variable has an exponential tail. In contrast, for a reaction order less than one, the reaction completes in a nite time. The reaction order also affects the induction time.

  3. Analysis of the chemical equilibrium of combustion at constant volume

    OpenAIRE

    Marius BREBENEL

    2014-01-01

    Determining the composition of a mixture of combustion gases at a given temperature is based on chemical equilibrium, when the equilibrium constants are calculated on the assumption of constant pressure and temperature. In this paper, an analysis of changes occurring when combustion takes place at constant volume is presented, deriving a specific formula of the equilibrium constant. The simple reaction of carbon combustion in pure oxygen in both cases (constant pressure and constant ...

  4. Analysis of the chemical equilibrium of combustion at constant volume

    Directory of Open Access Journals (Sweden)

    Marius BREBENEL

    2014-04-01

    Full Text Available Determining the composition of a mixture of combustion gases at a given temperature is based on chemical equilibrium, when the equilibrium constants are calculated on the assumption of constant pressure and temperature. In this paper, an analysis of changes occurring when combustion takes place at constant volume is presented, deriving a specific formula of the equilibrium constant. The simple reaction of carbon combustion in pure oxygen in both cases (constant pressure and constant volume is next considered as example of application, observing the changes occurring in the composition of the combustion gases depending on temperature.

  5. Daylight calculations using constant luminance curves

    Energy Technology Data Exchange (ETDEWEB)

    Betman, E. [CRICYT, Mendoza (Argentina). Laboratorio de Ambiente Humano y Vivienda

    2005-02-01

    This paper presents a simple method to manually estimate daylight availability and to make daylight calculations using constant luminance curves calculated with local illuminance and irradiance data and the all-weather model for sky luminance distribution developed in the Atmospheric Science Research Center of the University of New York (ARSC) by Richard Perez et al. Work with constant luminance curves has the advantage that daylight calculations include the problem's directionality and preserve the information of the luminous climate of the place. This permits accurate knowledge of the resource and a strong basis to establish conclusions concerning topics related to the energy efficiency and comfort in buildings. The characteristics of the proposed method are compared with the method that uses the daylight factor. (author)

  6. Calculation of individual isotope equilibrium constants for geochemical reactions

    Science.gov (United States)

    Thorstenson, D.C.; Parkhurst, D.L.

    2004-01-01

    Theory is derived from the work of Urey (Urey H. C. [1947] The thermodynamic properties of isotopic substances. J. Chem. Soc. 562-581) to calculate equilibrium constants commonly used in geochemical equilibrium and reaction-transport models for reactions of individual isotopic species. Urey showed that equilibrium constants of isotope exchange reactions for molecules that contain two or more atoms of the same element in equivalent positions are related to isotope fractionation factors by ?? = (Kex)1/n, where n is the number of atoms exchanged. This relation is extended to include species containing multiple isotopes, for example 13C16O18O and 1H2H18O. The equilibrium constants of the isotope exchange reactions can be expressed as ratios of individual isotope equilibrium constants for geochemical reactions. Knowledge of the equilibrium constant for the dominant isotopic species can then be used to calculate the individual isotope equilibrium constants. Individual isotope equilibrium constants are calculated for the reaction CO2g = CO2aq for all species that can be formed from 12C, 13C, 16O, and 18O; for the reaction between 12C18 O2aq and 1H218Ol; and among the various 1H, 2H, 16O, and 18O species of H2O. This is a subset of a larger number of equilibrium constants calculated elsewhere (Thorstenson D. C. and Parkhurst D. L. [2002] Calculation of individual isotope equilibrium constants for implementation in geochemical models. Water-Resources Investigation Report 02-4172. U.S. Geological Survey). Activity coefficients, activity-concentration conventions for the isotopic variants of H2O in the solvent 1H216Ol, and salt effects on isotope fractionation have been included in the derivations. The effects of nonideality are small because of the chemical similarity of different isotopic species of the same molecule or ion. The temperature dependence of the individual isotope equilibrium constants can be calculated from the temperature dependence of the fractionation

  7. Molecular equilibrium structures from experimental rotational constants and calculated vibration-rotation interaction constants

    DEFF Research Database (Denmark)

    Pawlowski, F; Jorgensen, P; Olsen, Jeppe

    2002-01-01

    A detailed study is carried out of the accuracy of molecular equilibrium geometries obtained from least-squares fits involving experimental rotational constants B(0) and sums of ab initio vibration-rotation interaction constants alpha(r)(B). The vibration-rotation interaction constants have been...... calculated for 18 single-configuration dominated molecules containing hydrogen and first-row atoms at various standard levels of ab initio theory. Comparisons with the experimental data and tests for the internal consistency of the calculations show that the equilibrium structures generated using Hartree......-Fock vibration-rotation interaction constants have an accuracy similar to that obtained by a direct minimization of the CCSD(T) energy. The most accurate vibration-rotation interaction constants are those calculated at the CCSD(T)/cc-pVQZ level. The equilibrium bond distances determined from these interaction...

  8. Converting Constant Volume, Multizone Air Handling Systems to Energy Efficient Variable Air Volume Multizone Systems

    Science.gov (United States)

    2017-10-26

    ASHRAE standard 55-2010 defines thermal environmental conditions for human occupancy. Occupant comfort was gaged by calculating the percent of time that...simulated the pre-retrofit condition and operated the system as a constant volume multizone with a fixed outside air damper position. Test modes 1... condition of the typical multizone system presents the potential for unexpected maintenance or performance problems. Note that the demonstration will

  9. Semiclassical Calculation of Reaction Rate Constants for Homolytical Dissociations

    Science.gov (United States)

    Cardelino, Beatriz H.

    2002-01-01

    There is growing interest in extending organometallic chemical vapor deposition (OMCVD) to III-V materials that exhibit large thermal decomposition at their optimum growth temperature, such as indium nitride. The group III nitrides are candidate materials for light-emitting diodes and semiconductor lasers operating into the blue and ultraviolet regions. To overcome decomposition of the deposited compound, the reaction must be conducted at high pressures, which causes problems of uniformity. Microgravity may provide the venue for maintaining conditions of laminar flow under high pressure. Since the selection of optimized parameters becomes crucial when performing experiments in microgravity, efforts are presently geared to the development of computational OMCVD models that will couple the reactor fluid dynamics with its chemical kinetics. In the present study, we developed a method to calculate reaction rate constants for the homolytic dissociation of III-V compounds for modeling OMCVD. The method is validated by comparing calculations with experimental reaction rate constants.

  10. Calculation of hyperfine structure constants of small molecules using ...

    Indian Academy of Sciences (India)

    The Z-vector method in the relativistic coupled-cluster framework is employed to calculate the parallel and perpendicular components of the magnetic hyperfine structure constant of a few small alkaline earth hydrides (BeH, MgH, and CaH) and fluorides (MgF and CaF). We have compared our Z-vector results with the values ...

  11. Constant load and constant volume response of municipal solid waste in simple shear.

    Science.gov (United States)

    Zekkos, Dimitrios; Fei, Xunchang

    2017-05-01

    Constant load and constant volume simple shear testing was conducted on relatively fresh municipal solid waste (MSW) from two landfills in the United States, one in Michigan and a second in Texas, at respective natural moisture content below field capacity. The results were assessed in terms of two failure strain criteria, at 10% and 30% shear strain, and two interpretations of effective friction angle. Overall, friction angle obtained assuming that the failure plane is horizontal and at 10% shear strain resulted in a conservative estimation of shear strength of MSW. Comparisons between constant volume and constant load simple shear testing results indicated significant differences in the shear response of MSW with the shear resistance in constant volume being lower than the shear resistance in constant load. The majority of specimens were nearly uncompacted during specimen preparation to reproduce the state of MSW in bioreactor landfills or in uncontrolled waste dumps. The specimens had identical percentage of waste. The results of these tests suggest the possibility of significantly lower shear strength of MSW in bioreactor landfills where waste is placed with low compaction effort and constant volume, i.e., "undrained", conditions may occur. Compacted MSW specimens resulted in shear strength parameters that are higher than uncompacted specimens and closer to values reported in the literature. However, the normalized undrained shear strength in simple shear for uncompacted and compacted MSW was still higher than the normalized undrained shear strength reported in the literature for clayey and silty soils. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Calculating Characteristics of the Screws with Constant And Variable Step

    Directory of Open Access Journals (Sweden)

    B. N. Zotov

    2015-01-01

    Full Text Available This work is devoted to creating a technique for calculating power characteristics of the screws with constant and variable step for the centrifugal pumps. The technique feature is that the reverse currents, which are observed in screws working at low flow, are numerically taken into account. The paper presents a diagram of the stream in the screw with flow to the network Q=0, and the static pressure of the screw in this mode is computed according to reverse current parameters. Maximum flow of screw is determined from the known formulas. When calculating the power characteristics and computing the overall efficiency of the screw, for the first time a volumetric efficiency of the screw is introduced. It is defined as a ratio between the flow into the network and the sum of the reverse current flows and a flow into the network. This approach allowed us to determine the efficiency of the screw over the entire range of flows.A comparison of experimental characteristics of the constant step screw with those of calculated by the proposed technique shows their good agreement.The technique is also used in calculating characteristics of the variable step screws. The variable step screw is considered as a screw consisting of two screws with a smooth transition of the blades from the inlet to the outlet. Screws in which the step at the inlet is less than that of at the outlet as well as screws with the step at the inlet being more than that of at the outlet were investigated. It is shown that a pressure of the screw with zero step and the value of the reverse currents depend only on the parameters of the input section of the screw, and the maximum flow, if the step at the inlet is more than the step at the outlet, is determined by the parameters of the output part of the screw. Otherwise, the maximum flow is determined a little bit differently.The paper compares experimental characteristics with characteristics calculated by the technique for variable step

  13. Calculated Atomic Volumes of the Actinide Metals

    DEFF Research Database (Denmark)

    Skriver, H.; Andersen, O. K.; Johansson, B.

    1979-01-01

    The equilibrium atomic volume is calculated for the actinide metals. It is possible to account for the localization of the 5f electrons taking place in americium.......The equilibrium atomic volume is calculated for the actinide metals. It is possible to account for the localization of the 5f electrons taking place in americium....

  14. Constant chemical potential approach for quantum chemical calculations in electrocatalysis

    Directory of Open Access Journals (Sweden)

    Wolfgang B. Schneider

    2014-05-01

    Full Text Available In order to simulate electrochemical reactions in the framework of quantum chemical methods, density functional theory, methods can be devised that explicitly include the electrochemical potential. In this work we discuss a Grand Canonical approach in the framework of density functional theory in which fractional numbers of electrons are used to represent an open system in contact with an electrode at a given electrochemical potential. The computational shortcomings and the additional effort in such calculations are discussed. An ansatz for a SCF procedure is presented, which can be applied routinely and only marginally increases the computational effort of standard constant electron number approaches. In combination with the common implicit solvent models this scheme can become a powerful tool, especially for the investigation of omnipresent non-faradaic effects in electrochemistry.

  15. QED Based Calculation of the Fine Structure Constant

    Energy Technology Data Exchange (ETDEWEB)

    Lestone, John Paul [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-10-13

    Quantum electrodynamics is complex and its associated mathematics can appear overwhelming for those not trained in this field. Here, semi-classical approaches are used to obtain a more intuitive feel for what causes electrostatics, and the anomalous magnetic moment of the electron. These intuitive arguments lead to a possible answer to the question of the nature of charge. Virtual photons, with a reduced wavelength of λ, are assumed to interact with isolated electrons with a cross section of πλ2. This interaction is assumed to generate time-reversed virtual photons that are capable of seeking out and interacting with other electrons. This exchange of virtual photons between particles is assumed to generate and define the strength of electromagnetism. With the inclusion of near-field effects the model presented here gives a fine structure constant of ~1/137 and an anomalous magnetic moment of the electron of ~0.00116. These calculations support the possibility that near-field corrections are the key to understanding the numerical value of the dimensionless fine structure constant.

  16. Osmosis at constant volume and water uptake in tall trees

    OpenAIRE

    Zupanovic, Pasko; Brumen, Milan; Fajmut, Ales; Kuic, Domagoj; Juretic, Davor

    2009-01-01

    We consider a thermodynamic state of a solvent and solution separated with an elastic semipermeable membrane in a box with a constant volume and the relevance of this simple model for the water uptake in tall trees. Under moderate concentrations of a solute, the solution and solvent are under the positive and negative pressure, respectively. In the case of the soft membrane the pressure difference between the compartments with the solvent and solution is given by van't Hoff equation. A state ...

  17. Calculation of Elastic Bond Constants in Atomistic Strain Analysis

    Science.gov (United States)

    Chen, Haiyuan; Wang, Juanjuan; Ashalley, Eric; Li, Handong; Niu, Xiaobin

    2015-10-01

    Strain analysis has significance both for tailoring material properties and designing nanoscale devices. In particular, strain plays a vital role in engineering the growth thermodynamics and kinetics and is applicable for designing optoelectronic devices. In this paper, we present a methodology for establishing the relationship between elastic bond constants and measurable parameters, i.e., Poisson's ratio ν and systematic elastic constant K. At the atomistic level, this approach is within the framework of linear elastic theory and encompasses the neighbor interactions when an atom is introduced to stress. Departing from the force equilibrium equations, the relationships between ν, K, and spring constants are successfully established. Both the two-dimensional (2D) square lattice and common three-dimensional (3D) structures are taken into account in the procedure for facilitating, bridging the gap between structural complexity and numerical experiments. A new direction for understanding the physical phenomena in strain engineering is established.

  18. Microcomputer Calculation of Equilibrium Constants from Molecular Parameters of Gases.

    Science.gov (United States)

    Venugopalan, Mundiyath

    1989-01-01

    Lists a BASIC program which computes the equilibrium constant as a function of temperature. Suggests use by undergraduates taking a one-year calculus-based physical chemistry course. Notes the program provides for up to four species, typically two reactants and two products. (MVL)

  19. Molecular dynamics simulations to calculate glass transition temperature and elastic constants of novel polyethers.

    Science.gov (United States)

    Sarangapani, Radhakrishnan; Reddy, Sreekantha T; Sikder, Arun K

    2015-04-01

    Molecular dynamics simulations studies are carried out on hydroxyl terminated polyethers that are useful in energetic polymeric binder applications. Energetic polymers derived from oxetanes with heterocyclic side chains with different energetic substituents are designed and simulated under the ensembles of constant particle number, pressure, temperature (NPT) and constant particle number, volume, temperature (NVT). Specific volume of different amorphous polymeric models is predicted using NPT-MD simulations as a function of temperature. Plots of specific volume versus temperature exhibited a characteristic change in slope when amorphous systems change from glassy to rubbery state. Several material properties such as Young's, shear, and bulk modulus, Poisson's ratio, etc. are predicted from equilibrated structures and established the structure-property relations among designed polymers. Energetic performance parameters of these polymers are calculated and results reveal that the performance of the designed polymers is comparable to the benchmark energetic polymers like polyNIMMO, polyAMMO and polyBAMO. Overall, it is worthy remark that this molecular simulations study on novel energetic polyethers provides a good guidance on mastering the design principles and allows us to design novel polymers of tailored properties. Copyright © 2015 Elsevier Inc. All rights reserved.

  20. Thermodynamics and dynamics of a monoatomic glass former. Constant pressure and constant volume behavior.

    Science.gov (United States)

    Kapko, Vitaliy; Matyushov, Dmitry V; Angell, C Austen

    2008-04-14

    We report constant-volume and constant-pressure simulations of the thermodynamic and dynamic properties of the low-temperature liquid and crystalline phases of the modified Stillinger-Weber (SW) model. We have found an approximately linear temperature increase of the effective Gaussian width of the distribution of inherent structures. This effect comes from non-Gaussianity of the landscape and is consistent with the predictions of the Gaussian excitations model representing the thermodynamics of the configurational manifold as an ensemble of excitations, each carrying an excitation entropy. The SW model provides us with both the configurational and excess entropies, with the difference mostly attributed to vibrational anharmonicity. We therefore can address the distinction between the excess thermodynamic quantities, often used to interpret experiments, and configurational thermodynamics used to describe the dynamics in the Adam-Gibbs (AG) equation. However we are limited computationally to work at temperatures above the "crossover" temperature at which the breakdown in the Adam-Gibbs relation has been identified in laboratory studies. We find a new break in the slope of the constant pressure AG plot (in the same sense but at much higher temperature than with laboratory data) when the excess entropy is used in the AG equation. This break, which we associate with anharmonic vibrational effects, is not seen when the configurational entropy is used. The simulation diffusivity data are equally well fitted by the AG equation and by a new equation, derived within the Gaussian excitations model, that emphasizes enthalpy over entropy as the thermodynamic control variable for transport in viscous liquids. We show that the modified SW model has close links to the behavior observed for bulk metallic glasses, both in its diffusional and in its thermodynamic properties.

  1. Calculation Method of Kinetic Constants for the Mathematical Model Peat Pyrolysis

    Directory of Open Access Journals (Sweden)

    Plakhova Tatyana

    2014-01-01

    Full Text Available Relevance of the work is related to necessity to simplify the calculation of kinetic constants for the mathematical model peat pyrolysis. Execute transformations of formula Arrhenius law. Degree of conversion is expressed in terms mass changes of sample. The obtained formulas help to calculate the kinetic constants for any type of solid organic fuels

  2. A Simple and Convenient Method of Multiple Linear Regression to Calculate Iodine Molecular Constants

    Science.gov (United States)

    Cooper, Paul D.

    2010-01-01

    A new procedure using a student-friendly least-squares multiple linear-regression technique utilizing a function within Microsoft Excel is described that enables students to calculate molecular constants from the vibronic spectrum of iodine. This method is advantageous pedagogically as it calculates molecular constants for ground and excited…

  3. Premixed combustion under electric field in a constant volume chamber

    KAUST Repository

    Cha, Min Suk

    2012-12-01

    The effects of electric fields on outwardly propagating premixed flames in a constant volume chamber were experimentally investigated. An electric plug, subjected to high electrical voltages, was used to generate electric fields inside the chamber. To minimize directional ionic wind effects, alternating current with frequency of 1 kHz was employed. Lean and rich fuel/air mixtures for both methane and propane were tested to investigate various preferential diffusion conditions. As a result, electrically induced instability showing cracked structure on the flame surface could be observed. This cracked structure enhanced flame propagation speed for the initial period of combustion and led to reduction in flame initiation and overall combustion duration times. However, by analyzing pressure data, it was found that overall burning rates are not much affected from the electric field for the pressurized combustion period. The reduction of overall combustion time is less sensitive to equivalence ratio for methane/air mixtures, whereas the results demonstrate pronounced effects on a lean mixture for propane. The improvement of combustion characteristics in lean mixtures will be beneficial to the design of lean burn engines. Two hypothetical mechanisms to explain the electrically induced instability were proposed: 1) ionic wind initiated hydrodynamic instability and 2) thermodiffusive instability through the modification of transport property such as mass diffusivity. © 2012 IEEE.

  4. Calculation of individual isotope equilibrium constants for implementation in geochemical models

    Science.gov (United States)

    Thorstenson, Donald C.; Parkhurst, David L.

    2002-01-01

    Theory is derived from the work of Urey to calculate equilibrium constants commonly used in geochemical equilibrium and reaction-transport models for reactions of individual isotopic species. Urey showed that equilibrium constants of isotope exchange reactions for molecules that contain two or more atoms of the same element in equivalent positions are related to isotope fractionation factors by , where is n the number of atoms exchanged. This relation is extended to include species containing multiple isotopes, for example and , and to include the effects of nonideality. The equilibrium constants of the isotope exchange reactions provide a basis for calculating the individual isotope equilibrium constants for the geochemical modeling reactions. The temperature dependence of the individual isotope equilibrium constants can be calculated from the temperature dependence of the fractionation factors. Equilibrium constants are calculated for all species that can be formed from and selected species containing , in the molecules and the ion pairs with where the subscripts g, aq, l, and s refer to gas, aqueous, liquid, and solid, respectively. These equilibrium constants are used in the geochemical model PHREEQC to produce an equilibrium and reaction-transport model that includes these isotopic species. Methods are presented for calculation of the individual isotope equilibrium constants for the asymmetric bicarbonate ion. An example calculates the equilibrium of multiple isotopes among multiple species and phases.

  5. Elastic constants and thermophysical properties of Al-Mg-Si alloys from first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Fenglian; Guo, Fei; Chen, Hongmei; Tao, Xiaoma [Ministry of Education, Guangxi Univ., Nanning (China). Key Lab. of New Processing Technology for Nonferrous Metals and Materials; Ouyang, Yifang [Ministry of Education, Guangxi Univ., Nanning (China). Key Lab. of New Processing Technology for Nonferrous Metals and Materials; Central South Univ., Changsha (China). State Key Lab. of Powder Metallurgy; Feng, Yuanping [National Univ. of Singapore (Singapore). Dept. of Physics; Du, Yong [Central South Univ., Changsha (China). State Key Lab. of Powder Metallurgy

    2010-11-15

    The lattice constants and elastic constants for Al-Mg-Si alloys have been calculated by using first-principles total energy calculations within the generalized gradient approximation. The calculated results are in good agreement with available experimental and theoretical results. The polycrystalline shear modulus, Young's modulus and Poisson's ratio are also estimated from the calculated single crystalline elastic constants. The Young's modulus and shear modulus increase following the precipitation sequence in Al-Mg-Si. The Debye sound velocity, Debye temperature, Grueneisen constant, heat capacity and linear coefficients of thermal expansion are predicted for the considered Al-Mg-Si alloys based on the Debye-Grueneisen model. The calculated values of Mg{sub 2}Si agree well with the previous experimental and theoretical results. (orig.)

  6. A Simple Method to Calculate the Temperature Dependence of the Gibbs Energy and Chemical Equilibrium Constants

    Science.gov (United States)

    Vargas, Francisco M.

    2014-01-01

    The temperature dependence of the Gibbs energy and important quantities such as Henry's law constants, activity coefficients, and chemical equilibrium constants is usually calculated by using the Gibbs-Helmholtz equation. Although, this is a well-known approach and traditionally covered as part of any physical chemistry course, the required…

  7. Benchmarking density-functional theory calculations of NMR shielding constants and spin-rotation constants using accurate coupled-cluster calculations.

    Science.gov (United States)

    Teale, Andrew M; Lutnæs, Ola B; Helgaker, Trygve; Tozer, David J; Gauss, Jürgen

    2013-01-14

    Accurate sets of benchmark nuclear-magnetic-resonance shielding constants and spin-rotation constants are calculated using coupled-cluster singles-doubles (CCSD) theory and coupled-cluster singles-doubles-perturbative-triples [CCSD(T)] theory, in a variety of basis sets consisting of (rotational) London atomic orbitals. The accuracy of the calculated coupled-cluster constants is established by a careful comparison with experimental data, taking into account zero-point vibrational corrections. Coupled-cluster basis-set convergence is analyzed and extrapolation techniques are employed to estimate basis-set-limit quantities, thereby establishing an accurate benchmark data set. Together with the set provided for rotational g-tensors and magnetizabilities in our previous work [O. B. Lutnæs, A. M. Teale, T. Helgaker, D. J. Tozer, K. Ruud, and J. Gauss, J. Chem. Phys. 131, 144104 (2009)], it provides a substantial source of consistently calculated high-accuracy data on second-order magnetic response properties. The utility of this benchmark data set is demonstrated by examining a wide variety of Kohn-Sham exchange-correlation functionals for the calculation of these properties. None of the existing approximate functionals provide an accuracy competitive with that provided by CCSD or CCSD(T) theory. The need for a careful consideration of vibrational effects is clearly illustrated. Finally, the pure coupled-cluster results are compared with the results of Kohn-Sham calculations constrained to give the same electronic density. Routes to future improvements are discussed in light of this comparison.

  8. Algorithm for calculating the dissociation constants of weak electrolytes and ampholites in water solutions

    Science.gov (United States)

    Lysova, S. S.; Skripnikova, T. A.; Zevatskii, Yu. E.

    2017-12-01

    An algorithm for calculating the dissociation constants of weak organic acids and bases in water solutions is developed on the basis of spectrophotometric data on the UV and visible regions without measuring the pH of the medium or using buffer solutions. The proposed algorithm is tested experimentally for six single-base acids and single-acid bases of different strengths. The relative error in determining the dissociation constants does not exceed 5% and is in agreement with the literature data.

  9. Determining equilibrium constants for cd6(u compounds in calculating separation of gas-condensate

    Energy Technology Data Exchange (ETDEWEB)

    Pokrovskii, K.V.; Ramazanova, E.E.; Razamat, M.S.

    1967-01-01

    Optimum separation of liquid condensate from natural gas is possible only with knowledge of equilibrium phase constants. While considerable data are available on equilibrium behavior of components from methane to pentane, essentially no data are available concerning hexane and higher components. Values of equilibrium constants are determined for CD6+U components for several Azerbaidzhan gas-condensates as a function of temperature, pressure, and average molar boiling point. Equilibrium constants are shown in graphs for CD6+U components boiling at 134- 220$C and having a characteristic factor K of 11.5-11.9. Equilibrium constants are shown for temperatures of 0-50$C and pressures of 10-100 atm. Good agreement is shown betwen condensation isotherms obtained experimentally and by calculation from equilibrium constants presented in this paper.

  10. Classical calculation of the equilibrium constants for true bound dimers using complete potential energy surface.

    Science.gov (United States)

    Buryak, Ilya; Vigasin, Andrey A

    2015-12-21

    The present paper aims at deriving classical expressions which permit calculation of the equilibrium constant for weakly interacting molecular pairs using a complete multidimensional potential energy surface. The latter is often available nowadays as a result of the more and more sophisticated and accurate ab initio calculations. The water dimer formation is considered as an example. It is shown that even in case of a rather strongly bound dimer the suggested expression permits obtaining quite reliable estimate for the equilibrium constant. The reliability of our obtained water dimer equilibrium constant is briefly discussed by comparison with the available data based on experimental observations, quantum calculations, and the use of RRHO approximation, provided the latter is restricted to formation of true bound states only.

  11. Calculation of the Spontaneous Polarization and the Dielectric Constant as a Function of Temperature for

    Directory of Open Access Journals (Sweden)

    Hamit Yurtseven

    2012-01-01

    Full Text Available The temperature dependence of the spontaneous polarization P is calculated in the ferroelectric phase of KH2PO4 (KDP at atmospheric pressure (TC = 122 K. Also, the dielectric constant ε is calculated at various temperatures in the paraelectric phase of KDP at atmospheric pressure. For this calculation of P and ε, by fitting the observed Raman frequencies of the soft mode, the microscopic parameters of the pure tunnelling model are obtained. In this model, the proton-lattice interaction is not considered and the collective proton mode is identified with the soft-mode response of the system. Our calculations show that the spontaneous polarization decreases continuously in the ferroelectric phase as approaching the transition temperature TC. Also, the dielectric constant decreases with increasing temperature and it diverges in the vicinity of the transition temperature (TC = 122 K for KDP according to the Curie-Weiss law.

  12. 40 CFR 86.519-90 - Constant volume sampler calibration.

    Science.gov (United States)

    2010-07-01

    ... and make at least 8 readings across the critical flow range of the venturi. (7) Data analysis. The... analysis: (i) The air flow rate, Qs, at each test point is calculated from the flowmeter data using the... minute. (D)(1) Tp = Pump inlet temperature, (°K) = PTI + 273. (2) For English units, Tp = PTI + 460. (E...

  13. Fast calculation of inverse square root with the use of magic constant $-$ analytical approach

    OpenAIRE

    Moroz, Leonid V.; Walczyk, Cezary J.; Hrynchyshyn, Andriy; Holimath, Vijay; Cieśliński, Jan L.

    2016-01-01

    We present a mathematical analysis of transformations used in fast calculation of inverse square root for single-precision floating-point numbers. Optimal values of the so called magic constants are derived in a systematic way, minimizing either absolute or relative errors at subsequent stages of the discussed algorithm.

  14. Calculation Of Residual Volume By Spirometric Data

    Directory of Open Access Journals (Sweden)

    R. Hashemi

    2005-05-01

    Full Text Available Background: The current practice to measure RV is either by BPG or helium dilution methods which may not be available in all clinics due to their cost. Methods: This paper outlines a method for both direct and indirect calculation of RV via PFT with acceptable sensitivity (81 %, 60% , specificity (71 %, 94% and validity (76%, 78% for obstructive and restrictive lung disease respectively at a much lower cost.

  15. Effect of tidal volume and respiratory rate on the power of breathing calculation.

    Science.gov (United States)

    Natalini, G; Marchesini, M; Tessadrelli, A; Rosano, A; Candiani, A; Bernardini, A

    2005-05-01

    The power of breathing (PoB) is used to estimate the mechanical workload of the respiratory system. Aim of this study was to investigate the effect of different tidal volume-respiratory rate combinations on the PoB when the elastic load is constant. In order to assure strict control of the experimental conditions, the PoB was calculated on an airway pressure-volume curve in mechanically ventilated patients. Ten patients received three different tidal volume-respiratory rate combinations while minute ventilation was constant. Respiratory mechanics, PoB and its elastic and resistive components were calculated. Alternative methods to estimate the elastic workload were assessed: elastic work of breathing per litre per minute, elastic workload index (the square root of elastic work of breathing multiplied by respiratory rate) and elastic double product of the respiratory system (the elastic pressure multiplied by respiratory rate). Despite constant elastance and minute ventilation, the elastic PoB showed an increment greater than 200% from the lower to the greater tidal volume, accounting for approximately 80% of the whole PoB increment. On the contrary, elastic work of breathing per litre per minute, elastic workload index and elastic double product did not change. Changes in breathing pattern markedly affect the PoB despite constant mechanical load. Other indexes could assess the elastic workload without tidal volume dependence. Power of breathing use should be avoided to compare different mechanical loads or efficiencies of the respiratory muscles when tidal volume is variable.

  16. Calculation of the high-frequency conductivity and the Hall constant of a thin semiconductor film

    Science.gov (United States)

    Savenko, O. V.; Romanov, D. N.; Kuznetsova, I. A.

    2016-12-01

    The task about calculation of high-frequency conductivity and Hall constant of a thin semiconductor film is solved by the kinetic method. This film is placed in transverse stationary magnetic field and longitudinal alternative electric field. The ratio between film thickness and mean free path of charge carriers is assumed to be arbitrary. Skin effect is negligible. The diffuse-specular mechanism of charge carriers scattering from film surfaces is considered in the view of equal mirrority coefficients of the upper and lower film surfaces. The dependences of non-dimensional conductivity and Hall constant on non-dimensional parameters: electric field frequency, magnetic field induction and film thickness are investigated. The comparative analysis of obtained results with the calculations for the case of a metal film are made.

  17. On the calculations of the nuclear spin-spin coupling constants in small water clusters

    Energy Technology Data Exchange (ETDEWEB)

    Cybulski, Hubert [Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw (Poland); Pecul, Magdalena [Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw (Poland); Sadlej, Joanna [Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw (Poland)], E-mail: sadlej@chem.uw.edu.pl

    2006-08-01

    The calculations of the nuclear spin-spin coupling constants were carried out for small water clusters (H{sub 2}O) {sub n}, n = 2-6, 12, and 17, using density functional theory (DFT) and second-order polarization propagator method (SOPPA). A wide range of different standard and modified basis sets was tested to enable the choice of the possibly smallest and most flexible basis set. The changes in the oxygen-proton coupling constants upon the cluster formation between the nuclei involved in hydrogen bonding cover a range of ca. 13 Hz. The range of the calculated changes in intramolecular {sup 1} J {sub OH} couplings shows that the simple model of rigid water clusters seems to be sufficient to reproduce properly the sign and to estimate the magnitude of the gas-to-liquid shift. The sign of the complexation-induced changes in the intramolecular {sup 2} J {sub HH} coupling constant is different for molecules with a different coordination number. While the sign is positive for the molecules of the single donor-single acceptor (DA) and single donor-double acceptor (DAA) types, it is negative for the double donor-single acceptor (DDA) molecules. In the four-coordinated double donor-double acceptor (DDAA) molecules the sign of {delta}{sup 2} J {sub HH} varies. The hydrogen-bond transmitted intermolecular coupling constants are substantial: {sup 1h} J {sub OH} spans the range from 2.8 to 8.4 Hz while {sup 2h} J {sub OO} varies from -0.6 to 7.5 Hz. The average intermolecular {sup 1h} J {sub OH} coupling constant decays slowly with the H...O distance in the cyclic clusters n = 2-6. The average {sup 2h} J {sub OO} coupling decreases exponentially with the O...O separation for the cyclic clusters n = 2-6.

  18. A method for improving the calculation accuracy of acid-base constants by inverse gas chromatography.

    Science.gov (United States)

    Shi, Baoli; Qi, Dawei

    2012-03-30

    In this paper, studies were conducted in order to improve the calculation accuracy of acid-base constants measured by inverse gas chromatography. The conventional a·(γ(d)(l))(0.5) parameters of DCM (dichloromethane), TCM (trichloromethane), and EtAcet (ethyl acetate) were corrected as 185, 212, and 235 Å(2)(mJ/m(2))(0.5) by analyzing the relationship between a·(γ(d)(l))(0.5) and the boiling temperature of the probe solvents, where a is molecular area and γ(l)(d) is surface dispersive free energy of the probe solvents, respectively. To validate the availability of the new a·(γ(d)(l))(0.5) values, the acid-base constants of polystyrene were measured. It was found that when the new a·(γ(d)(l))(0.5) parameters were adopted, the final linear fit degree for the plot of -ΔH(a)(s)/AN* versus DN/AN* was enhanced from 0.993 to 0.999, and the standard deviation was decreased from 0.344 to 0.156. In addition, the availability of general application to improving the calculation accuracy of acid-base constants with the new a·(γ(d)(l))(0.5) parameters was also proved with a mathematical justification. Copyright © 2012 Elsevier B.V. All rights reserved.

  19. A novel method for the calculation of bond stretching force constants of diatomic molecules.

    Science.gov (United States)

    Kaya, Savaş; Kaya, Cemal; Obot, I B; Islam, Nazmul

    2016-02-05

    Chemical hardness is one of the chemical reactivity descriptors of chemical species and this concept has widely benefited from the development of Density Functional Theory (DFT). In the present report, chemical hardness values for approximately fifty diatomic molecules have been calculated using a new molecular hardness (η(M)) equation derived by us in recent times. Then, correlation between force constant (k) and chemical hardness for the above mentioned diatomic molecules that situate hydrides, halides, oxides and sulfides among them has been investigated. Consequently, a relation that can be presented by a simple equation between chemical hardness with bond stretching force constants has been found. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Calculations of nuclear magnetic shielding constants based on the exact two-component relativistic method

    Science.gov (United States)

    Yoshizawa, Terutaka; Hada, Masahiko

    2017-10-01

    From the matrix representation of the modified Dirac equation based on the restricted magnetically balanced gauge-including atomic orbital (RMB-GIAO) basis, previously one of the authors (Yoshizawa) and co-workers derived the two-component normalized elimination of the small component (2c-NESC) formulas for 2c relativistic calculations of nuclear magnetic resonance (NMR) shielding tensors. In the present study, at the Hartree-Fock (HF) level, we numerically confirm that for several molecules the RMB-GIAO-based 2c-NESC method provides gauge-origin independent NMR shielding values. Moreover, we investigate the accuracy of the 2c-NESC method by comparison with the 4c relativistic NMR calculations at the HF level. For noble gas dimers and Hg compounds, it is shown that the 2c-NESC method reproduces the 4c relativistic NMR shielding constants within errors of 0.12%-0.31% of the 4c relativistic values and yields chemical shifts sufficiently close to the 4c relativistic results. Also, we discuss the basis set convergence of NMR shielding constants calculated with the 2c-NESC and 4c relativistic methods.

  1. Calculation of optical constants and related quantities from optical to x-ray frequencies

    Energy Technology Data Exchange (ETDEWEB)

    Rehr, J J; Kas, J J [Department of Physics, University of Washington, Seattle, WA 98195 (United States); Prange, M P, E-mail: jjr@phys.washington.ed [Materials Science and Technology Division, ORNL, Oak Ridge, TN 37831 (United States)

    2009-11-15

    We discuss an efficient approach for calculations of optical to x-ray response based on a spectral function formalism which is implemented in an extension to the real-space Green's function code FEFF. This formalism avoids the need to compute wave-functions explicitly, and is applicable to arbitrary, aperiodic systems. Starting from the complex dielectric constant, the approach gives a number of linear optical constants, including the complex index of refraction the photoabsorption coefficient and energy-loss spectra over a very broad spectral range. These results provide a theoretical complement to standard tables and are useful in a variety of applications including ab initio calculations self-energy shifts, inelastic losses, mean-free paths, and stopping powers. For example, a many-pole self-energy model based on these results makes possible improved, parameter free calculations of various photon- and electron-spectra. The method is compared with experiment and with a pseudopotential-planewave Bethe-Salpeter Equation method.

  2. Effective medium approximation for effective propagation constant calculation in a dense random medium. [electromagnetic wave scattering

    Science.gov (United States)

    Zhu, P. Y.; Fung, A. K.

    1986-01-01

    The effective medium approximation (EMA) formalism developed for scalar wave calculations in solid state physics is generalized to electromagnetic wave scattering in a dense random medium. Results are applied to compute the effective propagation constant in a dense medium involving discrete spherical scatterers. When compared with a common quasicrystalline approximation (QCA), it is found that EMA accounts for backward scattering and the effect of correlation among three scatterers which are not available in QCA. It is also found that there is not much difference in the calculated normalized phase velocity between the use of these two approximations. However, there is a significant difference in the computed effective loss tangent in a nonabsorptive random medium. The computed effective loss tangent using EMA and measurements from a snow medium are compared, showing good agreement.

  3. Magnetic coupling constants for MnO as calculated using hybrid density functional theory

    Science.gov (United States)

    Logsdail, Andrew J.; Downing, Christopher A.; Catlow, C. Richard A.; Sokol, Alexey A.

    2017-12-01

    The properties of MnO have been calculated using generalised gradient approximation (GGA-) and hybrid (h-) density functional theory (DFT), specifically variants of the popular PBE and PBESol exchange-correlation functionals. The GGA approaches are shown to be poor at reproducing experimental magnetic coupling constants and rhombohedral structural distortions, with the PBESol functional performing worse than PBE. In contrast, h-DFT results are in reasonable agreement with experiment. Calculation of the Néel temperatures using the mean-field approximation gives overestimates relative to experiment, but the discrepancies are as low as 15 K for the PBE0 approach and, generally, the h-DFT results are significant improvements over previous theoretical studies. For the Curie-Weiss temperature, larger disparities are observed between the theoretical results and previous experimental results.

  4. Analytical calculations of neutron slowing down and transport in the constant-cross-section problem

    Energy Technology Data Exchange (ETDEWEB)

    Cacuci, D.G.

    1978-04-01

    Aspects of the problem of neutron slowing down and transport in an infinite medium consisting of a single nuclide that scatters elastically and isotropically and has energy-independent cross sections were investigated. The method of singular eigenfunctions was applied to the Boltzmann Equation governing the Laplace transform (with respect to the lethargy variable) of the neutron flux. A new sufficient condition for the convergence of the coefficients of the expansion of the scattering kernel in Legendre polynomials was rigorously derived for this energy-dependent problem. Formulas were obtained for the lethargy-dependent spatial moments of the scalar flux that are valid for medium to large lethargies. Use was made of the well-known connection between the spatial moments of the Laplace-transformed scalar flux and the moments of the flux in the ''eigenvalue space.'' The calculations were aided by the construction of a closed general expression for these ''eigenvalue space'' moments. Extensive use was also made of the methods of combinatorial analysis and of computer evaluation of complicated sequences of manipulations. For the case of no absorption it was possible to obtain for materials of any atomic weight explicit corrections to the age-theory formulas for the spatial moments M/sub 2n/(u) of the scalar flux that are valid through terms of the order of u/sup -5/. The evaluation of the coefficients of the powers of n, as explicit functions of the nuclear mass, represent one of the end products of this investigation. In addition, an exact expression for the second spatial moment, M/sub 2/(u), valid for arbitrary (constant) absorption, was derived. It is now possible to calculate analytically and rigorously the ''age'' for the constant-cross-section problem for arbitrary (constant) absorption and nuclear mass. 5 figures, 1 table.

  5. Ice-wedge volume calculation in Yedoma and thermokarst deposits

    OpenAIRE

    Ulrich, Mathias; Grosse, Guido; Strauss, Jens; Schirrmeister, Lutz

    2014-01-01

    Detailed calculations of ground-ice volumes in permafrost deposits are necessary to understand and quantify the response of permafrost landscapes to thermal disturbance and thawing. Ice wedges with their polygonal surface expression are a widespread ground-ice component of permafrost lowlands. Therefore, the wedge-ice volume (WIV) is one of the major factors to be considered, both for assessing permafrost vulnerability and for quantifying deep permafrost soil carbon inventories. Here, a strai...

  6. Equilibrium and Dynamic Osmotic Behaviour of Aqueous Solutions with Varied Concentration at Constant and Variable Volume

    Science.gov (United States)

    Minkov, Ivan L.; Manev, Emil D.; Sazdanova, Svetla V.; Kolikov, Kiril H.

    2013-01-01

    Osmosis is essential for the living organisms. In biological systems the process usually occurs in confined volumes and may express specific features. The osmotic pressure in aqueous solutions was studied here experimentally as a function of solute concentration (0.05–0.5 M) in two different regimes: of constant and variable solution volume. Sucrose, a biologically active substance, was chosen as a reference solute for the complex tests. A custom made osmotic cell was used. A novel operative experimental approach, employing limited variation of the solution volume, was developed and applied for the purpose. The established equilibrium values of the osmotic pressure are in agreement with the theoretical expectations and do not exhibit any evident differences for both regimes. In contrast, the obtained kinetic dependences reveal striking divergence in the rates of the process at constant and varied solution volume for the respective solute concentrations. The rise of pressure is much faster at constant solution volume, while the solvent influx is many times greater in the regime of variable volume. The results obtained suggest a feasible mechanism for the way in which the living cells rapidly achieve osmotic equilibrium upon changes in the environment. PMID:24459448

  7. Equilibrium and dynamic osmotic behaviour of aqueous solutions with varied concentration at constant and variable volume.

    Science.gov (United States)

    Minkov, Ivan L; Manev, Emil D; Sazdanova, Svetla V; Kolikov, Kiril H

    2013-01-01

    Osmosis is essential for the living organisms. In biological systems the process usually occurs in confined volumes and may express specific features. The osmotic pressure in aqueous solutions was studied here experimentally as a function of solute concentration (0.05-0.5 M) in two different regimes: of constant and variable solution volume. Sucrose, a biologically active substance, was chosen as a reference solute for the complex tests. A custom made osmotic cell was used. A novel operative experimental approach, employing limited variation of the solution volume, was developed and applied for the purpose. The established equilibrium values of the osmotic pressure are in agreement with the theoretical expectations and do not exhibit any evident differences for both regimes. In contrast, the obtained kinetic dependences reveal striking divergence in the rates of the process at constant and varied solution volume for the respective solute concentrations. The rise of pressure is much faster at constant solution volume, while the solvent influx is many times greater in the regime of variable volume. The results obtained suggest a feasible mechanism for the way in which the living cells rapidly achieve osmotic equilibrium upon changes in the environment.

  8. Equilibrium and Dynamic Osmotic Behaviour of Aqueous Solutions with Varied Concentration at Constant and Variable Volume

    Directory of Open Access Journals (Sweden)

    Ivan L. Minkov

    2013-01-01

    Full Text Available Osmosis is essential for the living organisms. In biological systems the process usually occurs in confined volumes and may express specific features. The osmotic pressure in aqueous solutions was studied here experimentally as a function of solute concentration (0.05–0.5 M in two different regimes: of constant and variable solution volume. Sucrose, a biologically active substance, was chosen as a reference solute for the complex tests. A custom made osmotic cell was used. A novel operative experimental approach, employing limited variation of the solution volume, was developed and applied for the purpose. The established equilibrium values of the osmotic pressure are in agreement with the theoretical expectations and do not exhibit any evident differences for both regimes. In contrast, the obtained kinetic dependences reveal striking divergence in the rates of the process at constant and varied solution volume for the respective solute concentrations. The rise of pressure is much faster at constant solution volume, while the solvent influx is many times greater in the regime of variable volume. The results obtained suggest a feasible mechanism for the way in which the living cells rapidly achieve osmotic equilibrium upon changes in the environment.

  9. Thermosetting resins with high fractions of free volume and inherently low dielectric constants.

    Science.gov (United States)

    Lin, Liang-Kai; Hu, Chien-Chieh; Su, Wen-Chiung; Liu, Ying-Ling

    2015-08-18

    This work demonstrates a new class of thermosetting resins, based on Meldrum's acid (MA) derivatives, which have high fractions of free volume and inherently low k values of about 2.0 at 1 MHz. Thermal decomposition of the MA groups evolves CO2 and acetone to create air-trapped cavities so as to reduce the dielectric constants.

  10. Spray ignition measurements in a constant volume combustion vessel under engine-relevant conditions

    Science.gov (United States)

    Ramesh, Varun

    Pressure-based and optical diagnostics for ignition delay (ID) measurement of a diesel spray from a multi-hole nozzle were investigated in a constant volume combustion vessel (CVCV) at conditions similar to those in a conventional diesel engine at the start of injection (SOI). It was first hypothesized that compared to an engine, the shorter ID in a CVCV was caused by NO, a byproduct of premixed combustion. The presence of a significant concentration of NO+NO2 was confirmed experimentally and by using a multi-zone model of premixed combustion. Experiments measuring the effect of NO on ID were performed at conditions relevant to a conventional diesel engine. Depending on the temperature regime and the nature of the fuel, NO addition was found to advance or retard ignition. Constant volume ignition simulations were capable of describing the observed trends; the magnitudes were different due to the physical processes involved in spray ignition, not modeled in the current study. The results of the study showed that ID is sensitive to low NO concentrations (temperature regime. A second source of uncertainty in pressure-based ID measurement is the systematic error associated with the correction used to account for the speed of sound. Simultaneous measurements of volumetric OH chemiluminescence (OHC) and pressure during spray ignition found the OHC to closely resemble the pressure-based heat release rate for the full combustion duration. The start of OHC was always found to be shorter than the pressure-based ID for all fuels and conditions tested by 100 ms. Experiments were also conducted measuring the location and timing of high-temperature ignition and the steady-state lift-off length by high-speed imaging of OHC during spray ignition. The delay period calculated using the measured ignition location and the bulk average speed of sound was in agreement with the delay between OHC and the pressure-based ID. Results of the study show that start of OHC is coupled to

  11. EOS simulation and GRNN modeling of the constant volume depletion behavior of gas condensate reservoirs

    Energy Technology Data Exchange (ETDEWEB)

    Elsharkawy, A.M.; Foda, S.G. [Kuwait University, Safat (Kuwait). Petroleum Engineering Dept.

    1998-03-01

    Currently, two approaches are being used to predict the changes in retrograde gas condensate composition and estimate the pressure depletion behavior of gas condensate reservoirs. The first approach uses the equation of states whereas the second uses empirical correlations. Equations of states (EOS) are poor predictive tools for complex hydrocarbon systems. The EOS needs adjustment against phase behavior data of reservoir fluid of known composition. The empirical correlation does not involve numerous numerical computations but their accuracy is limited. This study presents two general regression neural network (GRNN) models. The first model, GRNNM1, is developed to predict dew point pressure and gas compressibility at dew point using initial composition of numerous samples while the second model, GRNNM2, is developed to predict the changes in well stream effluent composition at any stages of pressure depletion. GRNNM2 can also be used to determine the initial reservoir fluid composition using dew point pressure, gas compressibility at dew point, and reservoir temperature. These models are based on analysis of 142 sample of laboratory studies of constant volume depletion (CVD) for gas condensate systems forming a total of 1082 depletion stages. The database represents a wide range of gas condensate systems obtained worldwide. The performance of the GRNN models has been compared to simulation results of the equation of state. The study shows that the proposed general regression neural network models are accurate, valid, and reliable. These models can be used to forecast CVD data needed for many reservoir engineering calculations in case laboratory data is unavailable. The GRNN models save computer time involved in EOS calculations. The study also show that once these models are properly trained they can be used to cut expenses of frequent sampling and laborious experimental CVD tests required for gas condensate reservoirs. 55 refs., 13 figs., 6 tabs.

  12. "Raw" Formula for Calculating Maintenance Fluid Volumes in Low ...

    African Journals Online (AJOL)

    Background: Fluid management of low birth weight and preterm babies can be challenging, as the determination of maintenance fluid volumes have to be calculated to suit the demands of this delicate neonates in order to avoid fluid over-load or dehydration. It is on this background that this study to derive an easy to use ...

  13. Formula for Calculating Maintenance Fluid Volumes in Low Birth

    African Journals Online (AJOL)

    TNHJOURNALPH

    2007-08-14

    Aug 14, 2007 ... BACKGROUND. Fluid management of low birth weight and preterm babies can be challenging, as the determination of maintenance fluid volumes have to be calculated to suit the demands of this delicate neonates in order to avoid fluid over-load or dehydration. It is on this background that this study to ...

  14. Photoacoustic spectrometer with a calculable cell constant for measurements of gases and aerosols.

    Science.gov (United States)

    Havey, Daniel K; Bueno, Pedro A; Gillis, Keith A; Hodges, Joseph T; Mulholland, George W; van Zee, Roger D; Zachariah, Michael R

    2010-10-01

    We benchmark the performance of a photoacoustic spectrometer with a calculable cell constant in applications related to climate change measurements. As presently implemented, this spectrometer has a detection limit of 3.1 × 10(-9) W cm(-1) Hz(-1/2) for absorption by a gas and 1.5 × 10(-8) W cm(-1) Hz(-1/2) for soot particles. Nonstatistical uncertainty limited the accuracy of the instrument to ∼1%, and measurements of the concentration of CO(2) in laboratory air agreed with measurements made using a cavity ring-down spectrometer, to within 1%. Measurements of the enhanced absorption resulting from ultrathin (soot particles demonstrate the sensitivity of this instrument. Together, these measurements show the instrument's ability to quantitatively measure the absorption coefficient for species of interest to the climate and atmospheric science communities. Because the system constant is known, in most applications the acoustic response of this instrument need not be calibrated against a sample of known optical density, a decided advantage in field applications. Routine enhancements, such as improved processing of the photoacoustic signal and higher laser beam power, should further increase the instrument's precision and sensitivity.

  15. Quantum chemical and conventional TST calculations of rate constants for the OH + alkane reaction

    Energy Technology Data Exchange (ETDEWEB)

    Bravo-Perez, Graciela [Prog. Investig. Medio Ambiente y Seguridad, Instituto Mexicano del Petroleo, Av. Eje Central Lazaro Cardenas 152, 07730, AP 14805 Mexico DF (Mexico)]. E-mail: gbperez@imp.mx; Alvarez-Idaboy, J. Raul [Prog. Investig. Medio Ambiente y Seguridad, Instituto Mexicano del Petroleo, Av. Eje Central Lazaro Cardenas 152, 07730, AP 14805 Mexico DF (Mexico)]. E-mail: jidaboy@imp.mx; Jimenez, Annia Galano [Prog. Investig. Medio Ambiente y Seguridad, Instituto Mexicano del Petroleo, Av. Eje Central Lazaro Cardenas 152, 07730, AP 14805 Mexico DF (Mexico); Cruz-Torres, Armando [Prog. Investig. Medio Ambiente y Seguridad, Instituto Mexicano del Petroleo, Av. Eje Central Lazaro Cardenas 152, 07730, AP 14805 Mexico DF (Mexico)

    2005-04-04

    Reactions of OH with methane, ethane, propane, i-butane, and n-butane have been modeled using ab initio (MP2) and hybrid DFT (BHandHLYP) methods, and the 6-311G(d,p) basis set. Furthermore, single-point calculations at the CCSD(T) level were carried out at the optimized geometries. The rate constants have been calculated using the conventional transition-state theory (CTST). Arrhenius equations are proposed in the temperature range of 250-650 K. Hindered Internal Rotation partition functions calculations were explicitly carried out and included in the total partition functions. These corrections showed to be relevant in the determination of the pre-exponential parameters, although not so important as in the NO{sub 3} + alkane reactions [G. Bravo-Perez, J.R. Alvarez-Idaboy, A. Cruz-Torres, M.E. Ruiz, J. Phys. Chem. A 106 (2002) 4645]. The explicit participation of the tunnel effect has been taken into account. The calculated rate coefficients provide a very good agreement with the experimental data. The best agreement for the overall alkane + OH reactions seemed to occur when the BHandHLYP geometries and partition functions are used. For propane and i-butane, in addition to the respective secondary and tertiary H-abstraction channels, the primary one has been considered. These pathways are confirmed to be significant in spite of the large differences in activation energies between primary and secondary or primary and tertiary channels, respectively of propane and i-butane reactions and should not be disregarded.

  16. Calculation of time constants for intracellular diffusion in whole cell patch clamp configuration.

    Science.gov (United States)

    Oliva, C; Cohen, I S; Mathias, R T

    1988-11-01

    We present a simplified model to identify and analyze the important variables governing the diffusion of substances from pipettes into canine cardiac Purkinje cells in the whole cell patch clamp configuration. We show that diffusion of substances through the pipette is the major barrier for equilibration of the pipette and cellular contents. We solve numerically the one-dimensional diffusion equation for different pipette geometries, and we derive a simple analytic equation which allows one to estimate the time necessary to reach the steady state of intracellular concentration. The time constant of the transient to steady state is given by a pipette geometric factor times the cell volume divided by the diffusion coefficient of the substance of interest. The geometric factor is shown to be given by the ratio of pipette resistance to the resistivity of the filling solution. Additionally from our modeling, we concluded that pipette perfusion at distances greater than 20 microns from the pipette tip would not substantially reduce the time necessary to achieve the steady state.

  17. DFT calculation for elastic constants of orthorhombic structure within WIEN2K code: A new package (ortho-elastic)

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, Ali H., E-mail: maalidph@yahoo.co.uk [School of Complex Systems, FFWP, CENAKVA - South Bohemia University CB, Nove Hrady 37333 (Czech Republic); School of Material Engineering, Malaysia University of Perlis, P.O. Box 77, d/a Pejabat Pos Besar, 01007 Kangar, Perlis (Malaysia); Jamal, Morteza [School of Complex Systems, FFWP, CENAKVA - South Bohemia University CB, Nove Hrady 37333 (Czech Republic)

    2012-12-05

    Highlights: Black-Right-Pointing-Pointer A new package for calculating elastic constants of orthorhombic structure is released. Black-Right-Pointing-Pointer The package called ortho-elastic. Black-Right-Pointing-Pointer It is compatible with [FP-(L)APW+lo] method implemented in WIEN2k code. Black-Right-Pointing-Pointer Several orthorhombic structure compounds were used to test the new package. Black-Right-Pointing-Pointer Elastic constants calculated using this package show good agreement with experiment. - Abstract: A new package for calculating the elastic constants of orthorhombic structure is released. The package called ortho-elastic. The formalism of calculating the ortho-elastic constants is described in details. The package is compatible with the highly accurate all-electron full-potential (linearized) augmented plane-wave plus local orbital [FP-(L)APW+lo] method implemented in WIEN2k code. Several orthorhombic structure compounds were used to test the new package. We found that the calculated elastic constants using the new package show better agreement with the available experimental data than the previous theoretical results used different methods. In this package the second-order derivative E{sup Double-Prime }({epsilon}) of polynomial fit E=E({epsilon}) of energy vs strains at zero strain ({epsilon}=0), used to calculate the orthorhombic elastic constants.

  18. Narrow band flame emission from dieseline and diesel spray combustion in a constant volume combustion chamber

    KAUST Repository

    Wu, Zengyang

    2016-08-18

    In this paper, spray combustion of diesel (No. 2) and diesel-gasoline blend (dieseline: 80% diesel and 20% gasoline by volume) were investigated in an optically accessible constant volume combustion chamber. Effects of ambient conditions on flame emissions were studied. Ambient oxygen concentration was varied from 12% to 21% and three ambient temperatures were selected: 800 K, 1000 K and 1200 K. An intensified CCD camera coupled with bandpass filters was employed to capture the quasi-steady state flame emissions at 430 nm and 470 nm bands. Under non-sooting conditions, the narrow-band flame emissions at 430 nm and 470 nm can be used as indicators of CH∗ (methylidyne) and HCHO∗ (formaldehyde), respectively. The lift-off length was measured by imaging the OH∗ chemiluminescence at 310 nm. Flame emission structure and intensity distribution were compared between dieseline and diesel at wavelength bands. Flame emission images show that both narrow band emissions become shorter, thinner and stronger with higher oxygen concentration and higher ambient temperature for both fuels. Areas of weak intensity are observed at the flame periphery and the upstream for both fuels under all ambient conditions. Average flame emission intensity and area were calculated for 430 nm and 470 nm narrow-band emissions. At a lower ambient temperature the average intensity increases with increasing ambient oxygen concentration. However, at the 1200 K ambient temperature condition, the average intensity is not increasing monotonically for both fuels. For most of the conditions, diesel has a stronger average flame emission intensity than dieseline for the 430 nm band, and similar phenomena can be observed for the 470 nm band with 800 K and 1200 K ambient temperatures. However, for the 1000 K ambient temperature cases, dieseline has stronger average flame emission intensities than diesel for all oxygen concentrations at 470 nm band. Flame emissions for the two bands have a

  19. Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calculations Using Polarizable Embedding: Role of the Embedding Potential

    DEFF Research Database (Denmark)

    Steinmann, Casper; Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob

    2014-01-01

    shielding constants of both acrolein and acetone solvated in water are based on a number of snapshots extracted from classical molecular dynamics simulations. We focus on the carbonyl chromophore in both molecules, which shows large solvation effects, and we study the convergence of shielding constants......We present NMR shielding constants obtained through quantum mechanical/molecular mechanical (QM/MM) embedding calculations. Contrary to previous reports, we show that a relatively small QM region is sufficient, provided that a high-quality embedding potential is used. The calculated averaged NMR...

  20. Efficient calculation of nuclear spin-rotation constants from auxiliary density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Zuniga-Gutierrez, Bernardo, E-mail: bzuniga.51@gmail.com [Departamento de Ciencias Computacionales, Universidad de Guadalajara, Blvd. Marcelino García Barragán 1421, C.P. 44430 Guadalajara, Jalisco (Mexico); Camacho-Gonzalez, Monica [Universidad Tecnológica de Tecámac, División A2, Procesos Industriales, Carretera Federal México Pachuca Km 37.5, Col. Sierra Hermosa, C.P. 55740 Tecámac, Estado de México (Mexico); Bendana-Castillo, Alfonso [Universidad Tecnológica de Tecámac, División A3, Tecnologías de la Información y Comunicaciones, Carretera Federal México Pachuca Km 37.5, Col. Sierra Hermosa, C.P. 55740 Tecámac, Estado de México (Mexico); Simon-Bastida, Patricia [Universidad Tecnlógica de Tulancingo, División Electromecánica, Camino a Ahuehuetitla No. 301, Col. Las Presas, C.P. 43642 Tulancingo, Hidalgo (Mexico); Calaminici, Patrizia; Köster, Andreas M. [Departamento de Química, CINVESTAV, Avenida Instituto Politécnico Nacional 2508, A.P. 14-740, México D.F. 07000 (Mexico)

    2015-09-14

    The computation of the spin-rotation tensor within the framework of auxiliary density functional theory (ADFT) in combination with the gauge including atomic orbital (GIAO) scheme, to treat the gauge origin problem, is presented. For the spin-rotation tensor, the calculation of the magnetic shielding tensor represents the most demanding computational task. Employing the ADFT-GIAO methodology, the central processing unit time for the magnetic shielding tensor calculation can be dramatically reduced. In this work, the quality of spin-rotation constants obtained with the ADFT-GIAO methodology is compared with available experimental data as well as with other theoretical results at the Hartree-Fock and coupled-cluster level of theory. It is found that the agreement between the ADFT-GIAO results and the experiment is good and very similar to the ones obtained by the coupled-cluster single-doubles-perturbative triples-GIAO methodology. With the improved computational performance achieved, the computation of the spin-rotation tensors of large systems or along Born-Oppenheimer molecular dynamics trajectories becomes feasible in reasonable times. Three models of carbon fullerenes containing hundreds of atoms and thousands of basis functions are used for benchmarking the performance. Furthermore, a theoretical study of temperature effects on the structure and spin-rotation tensor of the H{sup 12}C–{sup 12}CH–DF complex is presented. Here, the temperature dependency of the spin-rotation tensor of the fluorine nucleus can be used to identify experimentally the so far unknown bent isomer of this complex. To the best of our knowledge this is the first time that temperature effects on the spin-rotation tensor are investigated.

  1. Shielding calculation constants for use in effective dose evaluation for photons, neutrons and Bremsstrahlung from beta-ray

    Energy Technology Data Exchange (ETDEWEB)

    Sakamoto, Yukio; Endo, Akira; Tsuda, Shuichi; Takahashi, Fumiaki; Yamaguchi, Yasuhiro [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2001-01-01

    Dose quantity in the shielding design calculation will be changed from the 1 cm depth dose equivalent to effective dose on the occasion of the introduction of International Commission on Radiological Protection (ICRP) 1990 Recommendations (ICRP Publication 60) into domestic laws. In the shielding calculation for the radiation facilities, simple dose estimation methods by using the shielding calculation constants instead of calculation of radiation energy spectra behind the shielding materials are effective and widely used. These shielding calculation constants depend on the dose quantity to be estimated and those for the evaluation of 1 cm depth dose equivalents should be replaced by those for the evaluation of effective dose. In the present report, the shielding calculation constants are summarized for photons, neutrons and Bremsstrahlung from beta-ray. For mono-energetic photons with energies from 0.015 MeV to 10 MeV, effective dose buildup factors, effective conversion coefficients from air kerma to effective dose and transmission data of effective dose were calculated. Effective dose rate constants, which represent an effective dose value at 1 m apart from a source without shielding, and transmission data of effective dose were also calculated for gamma-ray and X-ray from 33 radioisotopes, Bremsstrahlung from 13 radioisotopes beta-ray and 4 neutron sources. (author)

  2. First example of a high-level correlated calculation of the indirect spin-spin coupling constants involving tellurium

    DEFF Research Database (Denmark)

    Rusakov, Yury Yu; Krivdin, Leonid B.; Østerstrøm, Freja From

    2013-01-01

    This paper documents a very first example of a high-level correlated calculation of spin-spin coupling constants involving tellurium taking into account relativistic effects, vibrational corrections and solvent effects for the medium sized organotellurium molecules. The 125Te-1H spin-spin coupling...... constants of tellurophene and divinyl telluride were calculated at the SOPPA and DFT levels in a good agreement with experiment. A new full-electron basis set av3z-J for tellurium derived from the "relativistic" Dyall's basis set, dyall.av3z, and specifically optimized for the correlated calculations...

  3. 3D Surface Reconstruction and Volume Calculation of Rills

    Science.gov (United States)

    Brings, Christine; Gronz, Oliver; Becker, Kerstin; Wirtz, Stefan; Seeger, Manuel; Ries, Johannes B.

    2015-04-01

    We use the low-cost, user-friendly photogrammetric Structure from Motion (SfM) technique, which is implemented in the Software VisualSfM, for 3D surface reconstruction and volume calculation of an 18 meter long rill in Luxembourg. The images were taken with a Canon HD video camera 1) before a natural rainfall event, 2) after a natural rainfall event and before a rill experiment and 3) after a rill experiment. Recording with a video camera results compared to a photo camera not only a huge time advantage, the method also guarantees more than adequately overlapping sharp images. For each model, approximately 8 minutes of video were taken. As SfM needs single images, we automatically selected the sharpest image from 15 frame intervals. The sharpness was estimated using a derivative-based metric. Then, VisualSfM detects feature points in each image, searches matching feature points in all image pairs, recovers the camera positions and finally by triangulation of camera positions and feature points the software reconstructs a point cloud of the rill surface. From the point cloud, 3D surface models (meshes) are created and via difference calculations of the pre and post models a visualization of the changes (erosion and accumulation areas) and quantification of erosion volumes are possible. The calculated volumes are presented in spatial units of the models and so real values must be converted via references. The outputs are three models at three different points in time. The results show that especially using images taken from suboptimal videos (bad lighting conditions, low contrast of the surface, too much in-motion unsharpness), the sharpness algorithm leads to much more matching features. Hence the point densities of the 3D models are increased and thereby clarify the calculations.

  4. Model based multi-wavelength spectrophotometric method for calculation of formation constants of phenanthrenequinone thiosemicarbazone complexes with some metallic cations

    Directory of Open Access Journals (Sweden)

    Naser Samadi

    2013-04-01

    Full Text Available In traditional spectrophotometric determination of stability constants of complexation, it is necessary to find a wavelength at which only one of the components has absorbance without any spectroscopic interference of the other reaction components. In the present work, a simple multi-wavelength model-based method has been developed to determine stability constants for complexation reaction regardless of the spectra overlapping of components. Also, pure spectra and concentration profiles of all components are extracted using multi-wavelength model based method. In the present work spectrophotometric titration of several cationic metal ions with new synthetic ligand were studied in order to calculate the formation constant(s. In order to estimate the formation constants a chemometrics method, model based analysis was applied.

  5. Quantum wave packet calculation of reaction probabilities, cross sections, and rate constants for the C(1D) + HD reaction

    Science.gov (United States)

    Gogtas, Fahrettin; Bulut, Niyazi; Akpinar, Sinan

    The time-dependent real wave packet method has been used to study the C(1D) + HD reaction. The state-to-state and state-to-all reactive scattering probabilities for a broad range of energies are calculated at zero total angular momentum. The probabilities for J > 0 are estimated from accurately computed J = 0 probabilities by using the J-shifting approximation. The integral cross sections for a large energy range, and thermal rate constants are calculated.

  6. Calculation of Differential Propagation Constant Determined by Plant Morphology Using Polarimetric Measurement

    Directory of Open Access Journals (Sweden)

    Chufeng Hu

    2014-01-01

    Full Text Available The morphology of vegetation greatly impacts propagation of polarized electromagnetic wave. In order to validate this phenomenon, the mathematical relation between the differential propagation constant of forest vegetation and of its polarized echo is quantitatively derived by using backscattering power profile. The fluctuation of differential propagation constant with frequency is analyzed by combining the morphological characteristics of vegetation. The accurate copolarized data of 3–10 GHz frequency-domain of small trees are obtained by indoor wideband polarimetric measurement system. The results show that morphological characteristics of vegetation at different frequencies can be obtained by the differential propagation constant of polarized electromagnetic wave. At low frequencies, the plants with structural features presented oriented distribution. However, the plants show random distribution of the echoes at higher frequencies, which is mainly from the canopy. The research provides important information to choose the coherence models employed in the parameters retrieval of vegetations.

  7. Planck constant/sup 4/-order variational Thomas-Fermi calculations of finite nuclei: The local case

    Energy Technology Data Exchange (ETDEWEB)

    Pi, M.; Vinas, X.; Garcias, F.; Barranco, M.

    1988-12-08

    We have solved the Planck constant/sup 4/-order Thomas-Fermi equations for a system of A nucleons in an external local potential. We present the results corresponding to Woods-Saxon and harmonic oscillator potentials for which the Thomas-Fermi results can be compared with Wigner-Kirkwood and Strutinsky averaged calculations.

  8. Relativistic DFT calculations of hyperfine coupling constants in the 5d hexafluorido complexes

    DEFF Research Database (Denmark)

    Haase, Pi Ariane Bresling; Repisky, Michal; Komorovsky, Stanislav

    2017-01-01

    ions. We find that both methods lead to very similar deviations from the experimental values for the [ReF6]2- complex, i.e. ~20% for the coupling constant using hybrid functionals. None of the methods is, however, able to reproduce the large anisotropy of the [ReF6]2- hyperfine tensor. For [IrF6...

  9. Planck constant/sup 4/-order Thomas-Fermi variational calculations of finite nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Vinas, X.; Pi, M.; Garcias, F.; Serra, L.; Barranco, M.

    1989-05-01

    We have solved the Planck constant/sup 4/ order Thomas-Fermi equations for external potentials and for nuclear forces of Skyrme type without effective mass. We present some applications to the description of giant resonances and hot systems with especial emphasis in the comparison between different semiclassical methods.

  10. A simplified permeability model for coalbed methane reservoirs based on matchstick strain and constant volume theory

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Qiang [China University of Mining and Technology, Beijing (China); Harpalani, Satya; Liu, Shimin [Southern Illinois University, Carbondale (United States)

    2011-01-01

    Significant changes occur in the absolute permeability of coalbed methane (CBM) reservoirs during primary depletion or enhanced recovery/CO{sub 2} sequestration operations. In order to project gas production, several analytical models have been developed to predict changes in coal permeability as a function of stress/porosity and sorption. Although these models are more transparent and less complicated than the coupled numerical models, there are differences between the various analytical models and there are several uncertainties. These are discussed briefly in this paper. A new model is then proposed, which is based on the volumetric balance between the bulk coal, and solid grains and pores, using the constant volume theory. It incorporates primarily the changes in grain and cleat volumes and is, therefore, different from the other models that lay heavy emphasis on the pore volume/cleat compressibility values. Finally, in order to demonstrate the simplicity of the proposed model, a history matching exercise is carried out using field data in order to compare the different models. The modeling results suggest that the agreement between the predicted permeability using the existing models and the one proposed here is very good. The merit of the proposed model is its simplicity, and the fact that all input parameters are easily measurable for any coal type with no uncertainties. (author)

  11. On the calculation of Henry's law constants of chlorinated benzenes in water from semiempirical quantum chemical methods.

    Science.gov (United States)

    Delgado, Eduardo J; Alderete, Joel

    2002-01-01

    The Henry's law constants for all 12 polychlorinated benzene congeners were calculated using semiempirical quantum chemical solvation models (SM2, SM2.1, and SM3), and their performances are discussed. The values obtained by the SM3 method are underestimated compared with the experimental values and those calculated by SM2 and SM2.1 methods. This underestimation is larger as the degree of chlorination of the benzenes increases. This bad performance of SM3 to calculate Henry's law constants is attributable to the PM3 Hamiltonian, due to its incapacity to give a good description of electron density in chlorinated benzenes. The best results, within the 95% confidence limit of error of the experimental mean, are obtained using SM2 method. The discussion includes analysis of the different contributions to the free energy of solvation, namely, polarization free energy, cavitation, dispersion, and structural rearrangement of the solvent effects as well as partial atomic charges.

  12. Gas permeation measurement under defined humidity via constant volume/variable pressure method

    KAUST Repository

    Jan Roman, Pauls

    2012-02-01

    Many industrial gas separations in which membrane processes are feasible entail high water vapour contents, as in CO 2-separation from flue gas in carbon capture and storage (CCS), or in biogas/natural gas processing. Studying the effect of water vapour on gas permeability through polymeric membranes is essential for materials design and optimization of these membrane applications. In particular, for amine-based CO 2 selective facilitated transport membranes, water vapour is necessary for carrier-complex formation (Matsuyama et al., 1996; Deng and Hägg, 2010; Liu et al., 2008; Shishatskiy et al., 2010) [1-4]. But also conventional polymeric membrane materials can vary their permeation behaviour due to water-induced swelling (Potreck, 2009) [5]. Here we describe a simple approach to gas permeability measurement in the presence of water vapour, in the form of a modified constant volume/variable pressure method (pressure increase method). © 2011 Elsevier B.V.

  13. Priorities in the development of nuclear constants support system for reactor and shielding calculations

    Directory of Open Access Journals (Sweden)

    G.N. Manturov

    2016-09-01

    Development of the integral unified nuclear data support system and its implementation in the calculation codes will ensure not only the unification of the procedure for nuclear data preparation, which will allow enhancing reliability of their verification, but, as well, will enhance accuracy and reliability of calculation prediction of all the most important characteristics of the reactors under design, will ensure their licensing compliance, competitiveness and independence from foreign products.

  14. Thickness and optical constants calculation for chalcogenide-alkali metal Se80Te8(NaCl)12 thin film

    Science.gov (United States)

    Abd-Elrahman, M. I.; Abu-Sehly, A. A.; Bakier, Y. M.; Hafiz, M. M.

    2017-09-01

    Chalcogenide-alkali metal semiconducting thin films of four different thicknesses of Se80Te8(NaCl)12 are deposited from bulk by thermal evaporation technique. The crystallinity of the film improves with increasing of thickness as indicated by the recorded X-ray diffraction patterns. The transmission and reflection spectra are measured in the wavelength range of the incident photons from 250 to 2500 nm. The thickness and optical constants of the films are calculated based on Swanepeol method using the interference patterns appeared in the transmission spectra. It is found that the films have absorption mechanism which is an indirect allowed transition. The effect of the film thickness on the refractive index and the high-frequency dielectric constant are studied. With increasing the film thickness, both the absorption coefficient and high-frequency dielectric constant increase while the single-oscillator energy, optical band gap and extinction coefficient decrease.

  15. Albedo-corrected Parameterized Equivalence Constants for Cross-section Update in Nodal Calculation

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Woosong; Kim, Yonghee [KAIST, Daejeon (Korea, Republic of)

    2016-10-15

    The main idea of the theory is to preserve the equivalency between an original heterogeneous assembly and a simplified homogenized assembly in terms of their reaction rates and node interface currents. Nowadays, simplified equivalence theory (SET) is one of the most widely used techniques due to its computational efficiency. However, the SET efficiency on a single assembly homogenization is quite limited when the node interface current is not close to zero and the neighborhood effect is rather strong. To overcome this limitation, several approaches to functionalize the equivalence constants have been suggested in order to achieve more accurate whole-core solution while maintaining the advantage of the conventional two-step procedure, such as boundary perturbation theory and functional interface discontinuity factors. In a recent study by W. Kim and Y. Kim, the albedo-corrected parameterized equivalence constants (APEC) method was proposed, in which fuel assembly two-group cross-sections are parameterized as a function of a node-average current-to-flux ratio (CFR), a unique way to represent the spatial leakage of node. In the two-group homogenization of PWR fuel assembly, both thermal-group and down-scattering cross sections can be well functionalized as a function of an albedo information on the boundary. The APEC method can be very effectively utilized in adjusting the thermal-group cross sections and improving the accuracy of the conventional nodal analysis for PWR cores. For accurate parameterization of the cross section, a color-set configuration should be also analyzed, and the additional computational cost is rather marginal.

  16. Ab initio calculations of pressure-dependence of high-order elastic constants using finite deformations approach

    Science.gov (United States)

    Mosyagin, I.; Lugovskoy, A. V.; Krasilnikov, O. M.; Vekilov, Yu. Kh.; Simak, S. I.; Abrikosov, I. A.

    2017-11-01

    We present a description of a technique for ab initio calculations of the pressure dependence of second- and third-order elastic constants. The technique is based on an evaluation of the corresponding Lagrangian stress tensor derivative of the total energy assuming finite size of the deformations. Important details and parameters of the calculations are highlighted. Considering body-centered cubic Mo as a model system, we demonstrate that the technique is highly customizable and can be used to investigate non-linear elastic properties under high-pressure conditions.

  17. FOREST STEM VOLUME CALCULATION USING AIRBORNE LIDAR DATA

    Directory of Open Access Journals (Sweden)

    I. Büyüksalih

    2017-05-01

    Full Text Available Airborne LiDAR data have been collected for the city of Istanbul using Riegl laser scanner Q680i with 400 kHz and an average flight height of 600 m. The flight campaign was performed by a helicopter and covers an area of 5400 km2. According to a flight speed of 80 knot a point density of more than 16 points/m2 and a laser footprint size of 30 cm could be achieved. As a result of bundle adjustment, in total, approximately 17,000 LAS files with the file size of 500 m by 700 m have been generated for the whole city. The main object classes Ground, Building, Vegetation (medium, high were derived from these LAS files using the macros in Terrasolid software. The forest area under investigation is located northwest of the city of Istanbul, main tree species occurring in the test site are pine (pinus pinaster, oak (quercus and beech (fagus. In total, 120 LAS tiles covering the investigation area have been analysed using the software IMPACT of Joanneum Research Forschungsgesellschaft, Graz, Austria. First of all, the digital terrain model (DTM and the digital surface models (DSM were imported and converted into a raster file from the original laser point clouds with a spatial resolution of 50 cm. Then, a normalized digital surface model (nDSM was derived as the difference between DSM and the DTM. Tree top detection was performed by multi – resolution filter operations and tree crowns were segmented by a region growing algorithms develop specifically for this purpose. Breast Height Diameter (BHD was calculated on the base of tree height and crown areas derived from image segmentation applying allometric functions found in literature. The assessment of stem volume was then calculated as a function of tree height and BHD. A comparison of timber volume estimated from the LiDAR data and field plots measured by the Forest Department of Istanbul showed R2 of 0.46. The low correlation might arise either from the low quality of the field plots or

  18. Forest STEM Volume Calculation Using Airborne LIDAR Data

    Science.gov (United States)

    Büyüksalih, I.; Bayburt, S.; Schardt, M.; Büyüksalih, G.

    2017-05-01

    Airborne LiDAR data have been collected for the city of Istanbul using Riegl laser scanner Q680i with 400 kHz and an average flight height of 600 m. The flight campaign was performed by a helicopter and covers an area of 5400 km2. According to a flight speed of 80 knot a point density of more than 16 points/m2 and a laser footprint size of 30 cm could be achieved. As a result of bundle adjustment, in total, approximately 17,000 LAS files with the file size of 500 m by 700 m have been generated for the whole city. The main object classes Ground, Building, Vegetation (medium, high) were derived from these LAS files using the macros in Terrasolid software. The forest area under investigation is located northwest of the city of Istanbul, main tree species occurring in the test site are pine (pinus pinaster), oak (quercus) and beech (fagus). In total, 120 LAS tiles covering the investigation area have been analysed using the software IMPACT of Joanneum Research Forschungsgesellschaft, Graz, Austria. First of all, the digital terrain model (DTM) and the digital surface models (DSM) were imported and converted into a raster file from the original laser point clouds with a spatial resolution of 50 cm. Then, a normalized digital surface model (nDSM) was derived as the difference between DSM and the DTM. Tree top detection was performed by multi - resolution filter operations and tree crowns were segmented by a region growing algorithms develop specifically for this purpose. Breast Height Diameter (BHD) was calculated on the base of tree height and crown areas derived from image segmentation applying allometric functions found in literature. The assessment of stem volume was then calculated as a function of tree height and BHD. A comparison of timber volume estimated from the LiDAR data and field plots measured by the Forest Department of Istanbul showed R2 of 0.46. The low correlation might arise either from the low quality of the field plots or from the inadequacy of the

  19. Water dimer equilibrium constant calculation: a quantum formulation including metastable states.

    Science.gov (United States)

    Leforestier, Claude

    2014-02-21

    We present a full quantum evaluation of the water second virial coefficient B(T) based on the Takahashi-Imada second order approximation. As the associated trace T r[e(-βH(AB)) - e(-βH(0)(AB))] is performed in the coordinate representation, it does also include contribution from the whole continuum, i.e., resonances and collision pairs of monomers. This approach is compared to a Path Integral Monte Carlo evaluation of this coefficient by Schenter [J. Chem. Phys. 117, 6573 (2002)] for the TIP4P potential and shown to give extremely close results in the low temperature range (250-450 K) reported. Using a recent ab initio flexible potential for the water dimer, this new formulation leads to very good agreement with experimental values over the whole range of temperatures available. The virial coefficient is then used in the well known relation Kp(T) = -(B(T) - bM)/RT where the excluded volume bM is assimilated to the second virial coefficient of pure water monomer vapor and approximated from the inner repulsive part of the interaction potential. This definition, which renders bM temperature dependent, allows us to retrieve the 38 cm(3) mol(-1) value commonly used, at room temperature. The resulting values for Kp(T) are in agreement with available experimental data obtained from infrared absorption spectra of water vapor.

  20. Group Constants Generation of the Pseudo Fission Products for Fast Reactor Burnup Calculations

    Science.gov (United States)

    Gil, Choong-Sup; Kim, Do Heon; Chang, Jonghwa

    2005-05-01

    The pseudo fission products for the burnup calculations of the liquid metal fast reactor were generated. The cross-section data and fission product yield data of ENDF/B-VI were used for the pseudo fission product data of U-235, U-238, Pu-239, Pu-240, Pu-241, and Pu-242. The pseudo fission product data can be used with the KAFAX-F22 or -E66, which are the MATXS-format libraries for analyses of the liquid metal fast reactor at KAERI and were distributed through the OECD/NEA. The 80-group MATXS-format libraries of the 172 fission products were generated and the burnup chains for generation of the pseudo fission products were prepared.

  1. A new and validated CT-Based method for the calculation of orbital soft tissue volumes

    NARCIS (Netherlands)

    Regensburg, Noortje I.; Kok, Pauline H. B.; Zonneveld, Frans W.; Baldeschi, Lelio; Saeed, Peerooz; Wiersinga, Wilmar M.; Mourits, Maarten P.

    PURPOSE. There is no consensus as how to calculate orbital soft tissue volume based on CT or MRI scans. The authors sought to validate their technique and to assess the intraobserver and interobserver variability of their calculations of bony orbital volume (OV), orbital fat volume (FV), and

  2. Water dimer equilibrium constant calculation: A quantum formulation including metastable states

    Energy Technology Data Exchange (ETDEWEB)

    Leforestier, Claude, E-mail: claude.leforestier@univ-montp2.fr [Institut Charles Gerhardt, CNRS 5253, CC 15.01, Université Montpellier II-CNRS, 34095 Montpellier Cedex 05 (France)

    2014-02-21

    We present a full quantum evaluation of the water second virial coefficient B(T) based on the Takahashi-Imada second order approximation. As the associated trace Tr[e{sup −βH{sub A}{sub B}}−e{sup −βH{sub A}{sub B}{sup o}}] is performed in the coordinate representation, it does also include contribution from the whole continuum, i.e., resonances and collision pairs of monomers. This approach is compared to a Path Integral Monte Carlo evaluation of this coefficient by Schenter [J. Chem. Phys. 117, 6573 (2002)] for the TIP4P potential and shown to give extremely close results in the low temperature range (250–450 K) reported. Using a recent ab initio flexible potential for the water dimer, this new formulation leads to very good agreement with experimental values over the whole range of temperatures available. The virial coefficient is then used in the well known relation K{sub p}(T) = −(B(T) − b{sub M})/RT where the excluded volume b{sub M} is assimilated to the second virial coefficient of pure water monomer vapor and approximated from the inner repulsive part of the interaction potential. This definition, which renders b{sub M} temperature dependent, allows us to retrieve the 38 cm{sup 3} mol{sup −1} value commonly used, at room temperature. The resulting values for K{sub p}(T) are in agreement with available experimental data obtained from infrared absorption spectra of water vapor.

  3. Non-constant volume exponential solutions in higher-dimensional Lovelock cosmologies

    CERN Document Server

    Chirkov, Dmitry; Toporensky, Alexey

    2015-01-01

    In this paper we propose a scheme which allows one to find all possible exponential solutions of special class -- non-constant volume solutions -- in Lovelock gravity in arbitrary number of dimensions and with arbitrate combinations of Lovelock terms. We apply this scheme to (6+1)- and (7+1)-dimensional flat anisotropic cosmologies in Einstein-Gauss-Bonnet and third-order Lovelock gravity to demonstrate how our scheme does work. In course of this demonstration we derive all possible solutions in (6+1) and (7+1) dimensions and compare solutions and their abundance between cases with different Lovelock terms present. As a special but more "physical" case we consider spaces which allow three-dimensional isotropic subspace for they could be viewed as examples of compactification schemes. Our results suggest that the same solution with three-dimensional isotropic subspace is more "probable" to occur in the model with most possible Lovelock terms taken into account, which could be used as kind of anthropic argument...

  4. Enhancement of flame development by microwave-assisted spark ignition in constant volume combustion chamber

    KAUST Repository

    Wolk, Benjamin

    2013-07-01

    The enhancement of laminar flame development using microwave-assisted spark ignition has been investigated for methane-air mixtures at a range of initial pressures and equivalence ratios in a 1.45. l constant volume combustion chamber. Microwave enhancement was evaluated on the basis of several parameters including flame development time (FDT) (time for 0-10% of total net heat release), flame rise time (FRT) (time for 10-90% of total net heat release), total net heat release, flame kernel growth rate, flame kernel size, and ignitability limit extension. Compared to a capacitive discharge spark, microwave-assisted spark ignition extended the lean and rich ignition limits at all pressures investigated (1.08-7.22. bar). The addition of microwaves to a capacitive discharge spark reduced FDT and increased the flame kernel size for all equivalence ratios tested and resulted in increases in the spatial flame speed for sufficiently lean flames. Flame enhancement is believed to be caused by (1) a non-thermal chemical kinetic enhancement from energy deposition to free electrons in the flame front and (2) induced flame wrinkling from excitation of flame (plasma) instability. The enhancement of flame development by microwaves diminishes as the initial pressure of the mixture increases, with negligible flame enhancement observed above 3. bar. © 2013 The Combustion Institute.

  5. Comparison of calculated and experimentally resolved rate constants for excitation energy transfer in C-phycocyanin. 2. Trimers

    Energy Technology Data Exchange (ETDEWEB)

    Debreczeny, M.F.; Sauer, K. [Lawrence Berkeley Lab., CA (United States); Zhou, J.; Bryant, D.A. [Pennsylvania State Univ., University Park, PA (United States)

    1995-05-18

    Resolution of the absorption spectrum of the {beta}{sub 155} chromophore in C-phycocyanin (PC) trimers is achieved by comparison of the steady state absorption spectra of ({alpha}{sup PC}{beta}{sup PC}){sub 3} and ({alpha}{sup PC}{beta}{sup *}){sub 3}. Comparison of the anisotropy decays of ({alpha}{sup PC}{beta}{sup PC}){sub 3} and ({alpha}{sup PC}{beta}{sup *}){sub 3} also greatly aids in the assignment of the dominant kinetic processes in PC trimers. A comparison is made of calculated Foerster rate constants for energy transfer with those rate constants resolved experimentally in the PC trimers. 35 refs.., 10 figs., 2 tabs.

  6. Comparison of calculated and experimentally resolved rate constants for excitation energy transfer in C-phycocyanin. 1. Monomers

    Energy Technology Data Exchange (ETDEWEB)

    Debreczeny, M.P.; Sauer, K. [Lawrence Berkeley Lab., CA (United States); Zhou, J.; Bryant, D.A. [Pennsylvania State Univ., University Park, PA (United States)

    1995-05-18

    Rate constants for excitation energy transfer in light-harvesting protein, C-phycocyanin (PC), in the monomeric aggregation state, isolated from the cyanobacterium cynechococcus sp. PCC 7002, are calculated, using Foerster theory and compared with the results of time-resolved fluorescence measurements. The assignments of the energy-transfer rate constants in PC monomers are confirmed here by time-resolved fluorescence anisotropy measurements of the PC monomers isolated from both the wild-type and a mutant strain (cpcB/C155S) whose PC is missing the {beta}{sub 155} chromophore. It is concluded that the Foerster model of resonant energy transfer in the weak coupling limit successfully describes the dominant energy-transfer processes in this protein in the monomeric state. 31 refs., 3 figs., 4 tabs.

  7. Uncertain Henry's law constants compromise equilibrium partitioning calculations of atmospheric oxidation products

    Science.gov (United States)

    Wang, Chen; Yuan, Tiange; Wood, Stephen A.; Goss, Kai-Uwe; Li, Jingyi; Ying, Qi; Wania, Frank

    2017-06-01

    Gas-particle partitioning governs the distribution, removal, and transport of organic compounds in the atmosphere and the formation of secondary organic aerosol (SOA). The large variety of atmospheric species and their wide range of properties make predicting this partitioning equilibrium challenging. Here we expand on earlier work and predict gas-organic and gas-aqueous phase partitioning coefficients for 3414 atmospherically relevant molecules using COSMOtherm, SPARC Performs Automated Reasoning in Chemistry (SPARC), and poly-parameter linear free-energy relationships. The Master Chemical Mechanism generated the structures by oxidizing primary emitted volatile organic compounds. Predictions for gas-organic phase partitioning coefficients (KWIOM/G) by different methods are on average within 1 order of magnitude of each other, irrespective of the numbers of functional groups, except for predictions by COSMOtherm and SPARC for compounds with more than three functional groups, which have a slightly higher discrepancy. Discrepancies between predictions of gas-aqueous partitioning (KW/G) are much larger and increase with the number of functional groups in the molecule. In particular, COSMOtherm often predicts much lower KW/G for highly functionalized compounds than the other methods. While the quantum-chemistry-based COSMOtherm accounts for the influence of intra-molecular interactions on conformation, highly functionalized molecules likely fall outside of the applicability domain of the other techniques, which at least in part rely on empirical data for calibration. Further analysis suggests that atmospheric phase distribution calculations are sensitive to the partitioning coefficient estimation method, in particular to the estimated value of KW/G. The large uncertainty in KW/G predictions for highly functionalized organic compounds needs to be resolved to improve the quantitative treatment of SOA formation.

  8. Uncertain Henry's law constants compromise equilibrium partitioning calculations of atmospheric oxidation products

    Directory of Open Access Journals (Sweden)

    C. Wang

    2017-06-01

    Full Text Available Gas–particle partitioning governs the distribution, removal, and transport of organic compounds in the atmosphere and the formation of secondary organic aerosol (SOA. The large variety of atmospheric species and their wide range of properties make predicting this partitioning equilibrium challenging. Here we expand on earlier work and predict gas–organic and gas–aqueous phase partitioning coefficients for 3414 atmospherically relevant molecules using COSMOtherm, SPARC Performs Automated Reasoning in Chemistry (SPARC, and poly-parameter linear free-energy relationships. The Master Chemical Mechanism generated the structures by oxidizing primary emitted volatile organic compounds. Predictions for gas–organic phase partitioning coefficients (KWIOM/G by different methods are on average within 1 order of magnitude of each other, irrespective of the numbers of functional groups, except for predictions by COSMOtherm and SPARC for compounds with more than three functional groups, which have a slightly higher discrepancy. Discrepancies between predictions of gas–aqueous partitioning (KW/G are much larger and increase with the number of functional groups in the molecule. In particular, COSMOtherm often predicts much lower KW/G for highly functionalized compounds than the other methods. While the quantum-chemistry-based COSMOtherm accounts for the influence of intra-molecular interactions on conformation, highly functionalized molecules likely fall outside of the applicability domain of the other techniques, which at least in part rely on empirical data for calibration. Further analysis suggests that atmospheric phase distribution calculations are sensitive to the partitioning coefficient estimation method, in particular to the estimated value of KW/G. The large uncertainty in KW/G predictions for highly functionalized organic compounds needs to be resolved to improve the quantitative treatment of SOA formation.

  9. Element-specific and constant parameters used for dose calculations in SR-Site

    Energy Technology Data Exchange (ETDEWEB)

    Norden, Sara (Svensk Kaernbraenslehantering AB (Sweden)); Avila, Rodolfo; De la Cruz, Idalmis; Stenberg, Kristofer; Grolander, Sara (Facilia AB (Sweden))

    2010-12-15

    The report presents Best Estimate (BE) values and Probability Distribution Functions (PDFs) of Concentration Ratios (CR) for different types of terrestrial and aquatic biota and distribution coefficients (K{sub d}) for organic and inorganic deposits, as well as for suspended matter in freshwater and marine ecosystems. The BE values have been used in deterministic simulations for derivation of Landscape Dose Factors (LDF) applied for dose assessments in SR-Site. The PDFs have been used in probabilistic simulations for uncertainty and sensitivity analysis of the LDFs. The derivation of LDFs for SR-Site is described in /Avila et al. 2010/. The CR and K{sub d} values have been derived using both site-specific data measured at Laxemar and Forsmark during the site investigation program and literature data. These two data sources have been combined using Bayesian updating methods, which are described in detail in an Appendix, along with the input data used in the statistical analyses and the results obtained. The report also describes a kinetic-allometric model that was applied for deriving values of CR for terrestrial herbivores in cases when site and literature data for an element were missing. In addition, the report presents values for a number of other parameters used in the SR-Site Radionuclide Model for the biosphere: radionuclide decay-ingrowth data, elemental diffusivities, fractions of element content released during decomposition processes, ingestion of food, water and soil by cattle, elements retention fraction on plant surfaces during irrigation. The report also presents parameter values used in calculation of doses to a reference man: dose coefficients for inhalation, ingestion and external exposure, inhalation rates, ingestion rates of food and water

  10. The Energy Implications of Air-Side Fouling in Constant Air Volume HVAC Systems

    Science.gov (United States)

    Wilson, Eric J. H.

    2011-12-01

    This thesis examines the effect of air-side fouling on the energy consumption of constant air volume (CAV) heating, ventilating, and air conditioning (HVAC) systems in residential and small commercial buildings. There is a particular focus on evaluating the potential energy savings that may result from the remediation of such fouling from coils, filters, and other air system components. A computer model was constructed to simulate the behavior of a building and its duct system under various levels of fouling. The model was verified through laboratory and field testing and then used to run parametric simulations to examine the range of energy impacts for various climates and duct system characteristics. A sensitivity analysis was conducted to determine the impact of parameters like duct insulation, duct leakage, duct location, and duct design on savings potential. Duct system pressures, temperatures, and energy consumption for two houses were monitored for one month. The houses' duct systems, which were both in conditioned space, were given a full cleaning, and were then monitored for another month. The flow rates at the houses improved by 10% and 6%. The improvements were primarily due to installing a new filter, as both houses had only light coil fouling. The results indicate that there was negligible change in heating energy efficiency due to the system cleaning. The parametric simulation results are in agreement with the field experiment: for systems in all eight climates, with flowrates degraded by 20% or less, if ducts are located within the thermal zone, HVAC source energy savings from cleaning are negligible or even slightly negative. However, if ducts are outside the thermal zone, savings are in the 1 to 5% range. For systems with flowrates degraded by 40%, if ducts are within the thermal zone, savings from cleaning occurs only for air conditioning energy, up to 8% in climates like Miami, FL. If ducts are outside the thermal zone, savings occurs with both

  11. Variational RRKM calculation of thermal rate constant for C–H bond fission reaction of nitro methane

    Directory of Open Access Journals (Sweden)

    Afshin Taghva Manesh

    2017-02-01

    Full Text Available The present work provides quantitative results for the rate constants of unimolecular C–H bond fission reactions in the nitro methane at elevated temperatures up to 2000 K. In fact, there are three different hydrogen atoms in the nitro methane. The potential energy surface for each C–H bond fission reaction of nitro methane was investigated by ab initio calculations. The geometry and vibrational frequencies of the species involved in this process were optimized at the MP2 level of theory, using the cc-pvdz basis set. Since C–H bond fission channel is a barrierless reaction, we have used variational RRKM theory to predict rate coefficients. By means of calculated rate coefficients at different temperatures, the Arrhenius expression of the channel over the temperature range of 100–2000 K is k(T = 5.9E19∗exp(−56274.6/T.

  12. CAL3JHH: a Java program to calculate the vicinal coupling constants (3J H,H) of organic molecules.

    Science.gov (United States)

    Aguirre-Valderrama, Alonso; Dobado, José A

    2008-12-01

    Here, we present a free web-accessible application, developed in the JAVA programming language for the calculation of vicinal coupling constant (3J(H,H)) of organic molecules with the H-Csp3-Csp3-H fragment. This JAVA applet is oriented to assist chemists in structural and conformational analyses, allowing the user to calculate the averaged 3J(H,H) values among conformers, according to its Boltzmann populations. Thus, the CAL3JHH program uses the Haasnoot-Leeuw-Altona equation, and, by reading the molecule geometry from a protein data bank (PDB) file format or from multiple pdb files, automatically detects all the coupled hydrogens, evaluating the data needed for this equation. Moreover, a "Graphical viewer" menu allows the display of the results on the 3D molecule structure, as well as the plotting of the Newman projection for the couplings.

  13. Calculated hyperfine coupling constants for 5,5-dimethyl-1-pyrroline N-oxide radical products in water and benzene

    Science.gov (United States)

    Nardali, Ş.; Ucun, F.; Karakaya, M.

    2017-11-01

    The optimized structures of some radical adducts of 5,5-dimethyl-1-pyrroline N-oxide were computed by different methods on ESR spectra. As trapped radicals, H, N3, NH2, CH3, CCl3, OOH in water and F, OH, CF3, CH2OH, OC2H5 in benzene solutions were used. The calculated isotropic hyperfine coupling constants of all the trapped radicals were compared with the corresponding experimental data. The hyperfine coupling constant due to the β proton of the nitroxide radical was seen to be consist with the McConnel's relation αβ = B 0 + B 1cos2θ and, to be effected with the opposite spin density of oxygen nucleus bonded to the nitrogen. It was concluded that in hyperfine calculations the DFT(B3PW91)/LanL2DZ level is superior computational quantum model relative to the used other level. Also, the study has been enriched by the computational of the optimized geometrical parameters, the hyper conjugative interaction energies, the atomic charges and spin densities for all the radical adducts.

  14. Spray combustion of Jet-A and diesel fuels in a constant volume combustion chamber

    KAUST Repository

    Jing, Wei

    2015-01-01

    This work investigates the spray combustion of Jet-A fuel in an optical constant-volume combustion chamber under different ambient initial conditions. Ambient temperature was varied at 800 K, 1000 K, and 1200 K and five different ambient O2 concentrations were used, spanning 10-21%. These ambient conditions can be used to mimic practical diesel engine working conditions under different fuel injection timings and exhaust gas recirculation (EGR) levels. Both transient and quasi-steady state analyses were conducted. The transient analysis focused on the flame development from the beginning to the end of the combustion process, illustrating how the flame structure evolves with time. The quasi-steady state analysis concentrated on the stable flame structure and compared the flame emissions in terms of spatially integrated intensity, flame effective area, and intensity per pixel. The transient analysis was based on measurements using high-speed imaging of both OH∗ chemiluminescence and broadband natural luminosity (NL). For the quasi-steady state analysis, three flame narrow-band emissions (OH∗ at 310 nm, Band A at 430 nm and Band B at 470 nm) were captured using an ICCD camera. Based on the current Jet-A data and diesel data obtained from previous experiments, a comparison between Jet-A and diesel was made in terms of flame development during the transient state and spatially integrated intensity, flame effective area, and intensity per pixel during the quasi-steady state. For the transient results, Jet-A shares a similar flame development trend to diesel, but featuring a narrower region of NL and a wider region of OH∗ with the increase of ambient temperature and O2 concentration. The soot cloud is oxidized more quickly for Jet-A than diesel at the end of combustion, evident by comparing the area of NL, especially under high O2 concentration. The quasi-steady state results suggest that soot is oxidized effectively under high O2 concentration conditions by the

  15. Nonempirical quantum mechanical calculations of the /sup 1/H, /sup 13/C, /sup 15/N and /sup 17/O magnetic shielding constants and of the spin-spin coupling constants in formamide, hydrated formamide and N-methylformamide

    Energy Technology Data Exchange (ETDEWEB)

    Prado, F.R.; Giessner-Prettre, C.; Pullman, A.; Hinton, J.F.; Harpool, D.; Metz, K.R.

    1982-04-01

    The magnetic shielding constants of the different atoms of formamide, hydrated formamide and N-methylformamide are calculated by an ab initio method. For the protons of formamide the measured differences between their chemical shifts are correctly reproduced by theory, provided that the molecular geometry used as input is carefully chosen. The differences between the values of the magnetic shielding constants calculated for formamide and hydrated formamide show that the intermolecular hydrogen bonding produces variations of chemical shifts for all the atoms of the molecule except the formyl proton. The calculated chemical shift variations between formamide and N-methylformamide are compared to the experimental values and discussed in relation with different hydrogen bonding possibilities of the two molecules. The calculation of the contact term of the spin-spin coupling constants of formamide and hydrated formamide shows that in most cases the measured trends are satisfactorily reproduced and that the variations of these terms upon hydration are less than 3%.

  16. PTR-MS measurements and analysis of models for the calculation of Henry's law constants of monosulfides and disulfides.

    Science.gov (United States)

    Schuhfried, Erna; Biasioli, Franco; Aprea, Eugenio; Cappellin, Luca; Soukoulis, Christos; Ferrigno, Antonella; Märk, Tilmann D; Gasperi, Flavia

    2011-04-01

    Sulfides are known for their strong odor impact even at very low concentrations. Here, we report Henry's law constants (HLCs) measured at the nanomolar concentration range in water for monosulfides (dimethylsulfide, ethylmethylsulfide, diethylsulfide, allylmethylsulfide) and disulfides (dimethyldisulfide, diethylsulfide, dipropylsulfide) using a dynamic stripping technique coupled to Proton Transfer Reaction-Mass Spectrometry (PTR-MS). The experimental data were compared with literature values and to vapor/solubility calculations and their consistency was confirmed employing the extra-thermodynamic enthalpy-entropy compensation effect. Our experimental data are compatible with reported literature values, and they are typically lower than averaged experimental literature values by about 10%. Critical comparison with other freely available models (modeled vapor/solubility; group and bond additivity methods; Linear Solvation Energy Relationship; SPARC) was performed to validate their applicability to monosulfides and disulfides. Evaluation of theoretical models reveals a large deviation from our measured values by up to four times (in units of Matm(-1)). Two group contribution models were adjusted in view of the new data, and HLCs for a list of sulfur compounds were calculated. Based on our findings we recommend the evaluation and adaption of theoretical models for monosulfides and disulfides to lower values of solubility and higher values of fugacity. Copyright © 2010 Elsevier Ltd. All rights reserved.

  17. Measurements of OH* and CH* Chemiluminescence in Premixed Flames in a Constant Volume Combustion Bomb under Autoignition Conditions

    OpenAIRE

    TINAUT FLUIXA, FRANCISCO VICENTE; Reyes, M.; Giménez, B.; Pastor Soriano, José Vicente

    2011-01-01

    The objectives of this paper are as follows: (1) To study parametrically OH* and CH* chemiluminescence trace evolution as a function of the initial pressure, temperature, and equivalence ratio of premixed flames of n-heptane, under autoignition conditions, in a constant volume combustion bomb. The signals of the electronically excited states of OH* (306 nm) and CH* (430 nm) have been detected through band-pass filters with two photomultiplier tubes placed in an optical access of the combustio...

  18. Osmosis-induced water uptake by Eurobitum bituminized radioactive waste and pressure development in constant volume conditions

    Energy Technology Data Exchange (ETDEWEB)

    Marieen, A., E-mail: amarien@sckcen.be [Waste and Disposal Expert Group, Belgian Nuclear Research Centre (SCK-CEN), Boeretang 200, 2400 Mol (Belgium); Mokni, N., E-mail: Nadia.mokni@upc.edu [Department of Geotechnical Engineering and Geosciences, Universidad Politecnica de Catalunya (UPC), Calle Gran Capitan, s/n, Edificio C-1, 08034 Barcelona (Spain); Valcke, E. [Waste and Disposal Expert Group, Belgian Nuclear Research Centre (SCK-CEN), Boeretang 200, 2400 Mol (Belgium); Olivella, S. [Department of Geotechnical Engineering and Geosciences, Universidad Politecnica de Catalunya (UPC), Calle Gran Capitan, s/n, Edificio C-1, 08034 Barcelona (Spain); Smets, S. [Waste and Disposal Expert Group, Belgian Nuclear Research Centre (SCK-CEN), Boeretang 200, 2400 Mol (Belgium); Li, X., E-mail: xli@sckcen.be [EIG EURIDICE, Boeretang 200, 2400 Mol (Belgium)

    2013-01-15

    Highlights: Black-Right-Pointing-Pointer The water uptake by Eurobitum is studied to judge the safety of geological disposal. Black-Right-Pointing-Pointer High pressures of up to 20 MPa are measured in constant volume water uptake tests. Black-Right-Pointing-Pointer The morphology of leached Eurobitum samples is studied with {mu}CT and ESEM. Black-Right-Pointing-Pointer The observations are reproduced by an existing CHM formulation for Eurobitum. - Abstract: The chemo-hydro-mechanical (CHM) interaction between swelling Eurobitum radioactive bituminized waste (BW) and Boom Clay is investigated to assess the feasibility of geological disposal for the long-term management of this waste. These so-called compatibility studies include laboratory water uptake tests at Belgian Nuclear Research Center SCK-CEN, and the development of a coupled CHM formulation for Eurobitum by the International Center for Numerical Methods and Engineering (CIMNE, Polytechnical University of Cataluna, Spain). In the water uptake tests, the osmosis-induced swelling, pressure increase and NaNO{sub 3} leaching of small cylindrical BW samples (diameter 38 mm, height 10 mm) is studied under constant total stress conditions and nearly constant volume conditions; the actual geological disposal conditions should be intermediate between these extremes. Two nearly constant volume tests were stopped after 1036 and 1555 days to characterize the morphology of the hydrated BW samples and to visualize the hydrated part with microfocus X-ray Computer Tomography ({mu}CT) and Environmental Scanning Electron Microscopy (ESEM). In parallel, a coupled CHM formulation is developed that describes chemically and hydraulically coupled flow processes in porous materials with salt crystals, and that incorporates a porosity dependent membrane efficiency, permeability and diffusivity. When Eurobitum BW is hydrated in (nearly) constant volume conditions, the osmosis-induced water uptake results in an increasing pressure to

  19. CALCULATED VOLUMES DETERMINATION OF WORK FOR MAIN-LINE AND INDUSTRIAL RAILWAY STATIONS

    Directory of Open Access Journals (Sweden)

    D. M. Kozachenko

    2015-05-01

    Full Text Available Purpose.This article aims to improve the evaluation of irregularity of freight transport and calculated volumes determination of work for railway stations and sidings of industrial enterprises. Methodology. The methods of mathematical statistics are used as research methods for estimation of calculated volumes of traffic and loaded traffic, in particular, the methods of time series analysis; the methods of mathematical modeling are used to evaluate the calculated volumes of empty traffic. Findings. Calculated volumes of the main-line and industrial railway stations activity are determined according to the monthly and daily irregularity. Monthly irregularity is proposed to evaluate against the trend of the indicator over the last 3-5 years, constructed using the method of weighted moving average. The 30-day period in the previous year with the largest total amount of work is proposed to use as the calculation period for the assessment of daily irregularity. The computation size of empty traffic volumes is proposed to be determined on the basis of loaded traffic volumes with the probability matrix of cars usage for dual operations. The proposed method is verified by the work volume calculation for the year 2014 according to previous time periods. The test results showed that the proposed method as compared with traditional one provides higher stability of the results when changing time periods, used for analysis, as well as a more accurate assessment of the calculated volumes of work. Originality. Authors have improved determination methods for the calculated volumes of work to railway stations through the using time series analysis methods. Practical value. The proposed methodology allows assessing more accurately the prospective volumes of work and, through this, reduce the amount of capital expenditures associated with the development of stations and operating costs associated with their operation. The method can be used to improve the

  20. Minimization of wave drag due to thickness with constraints on constant volume and maximum thickness position

    OpenAIRE

    Ishida, Yoji; 石田 洋治

    2001-01-01

    A numerical method has been developed for designing minimum-drag supersonic wing thickness with constraints on total volume and wing's maximum thickness position. This method is based on the linearized supersonic theory and is an extension of Kawasaki's method (ref.10) which deals only with total volume constraint. The maximum thickness position of the wing, a new constraint condition, is important information from both aerodynamic and structural points of view. The addition of the constraint...

  1. Minimization of Wave Drag Due to Thickness with Constraints on Constant Volume and Maximum Thickness Position

    Science.gov (United States)

    Ishida, Yoji

    We have developed a numerical method for design of minimum-drag supersonic wing thickness with constraints on total volume and wing maximum thickness position. The method is based on the linearized supersonic theory and is an extension of Kawasaki's method which deals only with total volume constraint. The maximum thickness position of the wing, a new constraint condition, is an important information from both aerodynamic and structural point of view. The addition of the constraint has considerably extended the design possibility and has actually produced many interesting optimum thickness families. Numerical examples are given for delta, gothic and arrow wings which confirm the usefulness of present design method.

  2. Detection analysis of surface hydroxyl active sites and simulation calculation of the surface dissociation constants of aqueous diatomite suspensions

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Shu-Cui [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Key Laboratory of Applied Chemistry and Nanotechnology at Universities of Jilin Province, Changchun University of Science and Technology, Changchun 130022 (China); Wang, Zhi-Gang [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Zhang, Ji-Lin, E-mail: zjl@ciac.ac.cn [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Sun, De-Hui [Changchun Institute Technology, Changchun 130012 (China); Liu, Gui-Xia, E-mail: liuguixia22@163.com [Key Laboratory of Applied Chemistry and Nanotechnology at Universities of Jilin Province, Changchun University of Science and Technology, Changchun 130022 (China)

    2015-02-01

    Highlights: • To examine surface hydroxyl functional groups of the calcined diatomite by TGA-DSC, FTIR, and XPS. • To calculate the optimized log K{sub 1}, log K{sub 2} and log C values and the surface species distribution of each surface reactive site using ProtoFit and PHREEQC, respectively. - Abstract: The surface properties of the diatomite were investigated using nitrogen adsorption/deadsorption isotherms, TG-DSC, FTIR, and XPS, and surface protonation–deprotonation behavior was determined by continuous acid–base potentiometric titration technique. The diatomite sample with porous honeycomb structure has a BET specific surface area of 10.21 m{sup 2}/g and large numbers of surface hydroxyl functional groups (i.e. ≡Si-OH, ≡Fe-OH, and ≡Al-OH). These surface hydroxyls can be protonated or deprotonated depending on the pH of the suspension. The experimental potentiometric data in two different ionic strength solutions (0.1 and 0.05 mol/L NaCl) were fitted using ProtoFit GUI V2.1 program by applying diffuse double layer model (DLM) with three amphoteric sites and minimizing the sum of squares between a dataset derivative function and a model derivative function. The optimized surface parameters (i.e. surface dissociation constants (log K{sub 1}, log K{sub 2}) and surface site concentrations (log C)) of the sample were obtained. Based on the optimized surface parameters, the surface species distribution was calculated using Program-free PHREEQC 3.1.2. Thus, this work reveals considerable new information about surface protonation–deprotonation processes and surface adsorptive behaviors of the diatomite, which helps us to effectively use the cheap and cheerful diatomite clay adsorbent.

  3. The Effect of Approximating Some Molecular Integrals in Coupled-Cluster Calculations: Fundamental Frequencies and Rovibrational Spectroscopic Constants of Cyclopropenylidene

    Science.gov (United States)

    Lee, Timothy J.; Dateo, Christopher E.

    2005-01-01

    The singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations, denoted CCSD(T), has been used, in conjunction with approximate integral techniques, to compute highly accurate rovibrational spectroscopic constants of cyclopropenylidene, C3H2. The approximate integral technique was proposed in 1994 by Rendell and Lee in order to avoid disk storage and input/output bottlenecks, and today it will also significantly aid in the development of algorithms for distributed memory, massively parallel computer architectures. It is shown in this study that use of approximate integrals does not impact the accuracy of CCSD(T) calculations. In addition, the most accurate spectroscopic data yet for C3H2 is presented based on a CCSD(T)/cc-pVQZ quartic force field that is modified to include the effects of core-valence electron correlation. Cyclopropenylidene is of great astronomical and astrobiological interest because it is the smallest aromatic ringed compound to be positively identified in the interstellar medium, and is thus involved in the prebiotic processing of carbon and hydrogen. The singles and doubles coupled-cluster method that includes a perturbational estimate of

  4. CALCULATED VOLUMES DETERMINATION OF WORK FOR MAIN-LINE AND INDUSTRIAL RAILWAY STATIONS

    National Research Council Canada - National Science Library

    D. M. Kozachenko; A. I. Verlan; O. V. Horbova

    2015-01-01

    Purpose.This article aims to improve the evaluation of irregularity of freight transport and calculated volumes determination of work for railway stations and sidings of industrial enterprises. Methodology...

  5. Osmosis-induced water uptake by Eurobitum bituminized radioactive waste and pressure development in constant volume conditions

    Science.gov (United States)

    Mariën, A.; Mokni, N.; Valcke, E.; Olivella, S.; Smets, S.; Li, X.

    2013-01-01

    The chemo-hydro-mechanical (CHM) interaction between swelling Eurobitum radioactive bituminized waste (BW) and Boom Clay is investigated to assess the feasibility of geological disposal for the long-term management of this waste. These so-called compatibility studies include laboratory water uptake tests at the Belgian Nuclear Research Center SCK•CEN, and the development of a coupled CHM formulation for Eurobitum by the International Center for Numerical Methods and Engineering (CIMNE, Polytechnical University of Cataluña, Spain). In the water uptake tests, the osmosis-induced swelling, pressure increase and NaNO3 leaching of small cylindrical BW samples (diameter 38 mm, height 10 mm) is studied under constant total stress conditions and nearly constant volume conditions; the actual geological disposal conditions should be intermediate between these extremes. Two nearly constant volume tests were stopped after 1036 and 1555 days to characterize the morphology of the hydrated BW samples and to visualize the hydrated part with microfocus X-ray Computer Tomography (μCT) and Environmental Scanning Electron Microscopy (ESEM). In parallel, a coupled CHM formulation is developed that describes chemically and hydraulically coupled flow processes in porous materials with salt crystals, and that incorporates a porosity dependent membrane efficiency, permeability and diffusivity. When Eurobitum BW is hydrated in (nearly) constant volume conditions, the osmosis-induced water uptake results in an increasing pressure to values that can be (in theory) as high as 42.8 MPa, being the osmotic pressure of a saturated NaNO3 solution. After about four years of hydration in nearly constant volume water uptake tests, pressures up to 20 MPa are measured. During this hydration period only the outer layers with a thickness of 1-2 mm were hydrated (as derived from μCT and ESEM analyses), and only about 10-20% of the initial NaNO3 content was released by the samples. In the studied test

  6. Volume calculation of CT lung lesions based on Halton low-discrepancy sequences

    Science.gov (United States)

    Li, Shusheng; Wang, Liansheng; Li, Shuo

    2017-03-01

    Volume calculation from the Computed Tomography (CT) lung lesions data is a significant parameter for clinical diagnosis. The volume is widely used to assess the severity of the lung nodules and track its progression, however, the accuracy and efficiency of previous studies are not well achieved for clinical uses. It remains to be a challenging task due to its tight attachment to the lung wall, inhomogeneous background noises and large variations in sizes and shape. In this paper, we employ Halton low-discrepancy sequences to calculate the volume of the lung lesions. The proposed method directly compute the volume without the procedure of three-dimension (3D) model reconstruction and surface triangulation, which significantly improves the efficiency and reduces the complexity. The main steps of the proposed method are: (1) generate a certain number of random points in each slice using Halton low-discrepancy sequences and calculate the lesion area of each slice through the proportion; (2) obtain the volume by integrating the areas in the sagittal direction. In order to evaluate our proposed method, the experiments were conducted on the sufficient data sets with different size of lung lesions. With the uniform distribution of random points, our proposed method achieves more accurate results compared with other methods, which demonstrates the robustness and accuracy for the volume calculation of CT lung lesions. In addition, our proposed method is easy to follow and can be extensively applied to other applications, e.g., volume calculation of liver tumor, atrial wall aneurysm, etc.

  7. Antarctic ice volume for the last 740 ka calculated with a simple ice sheet model

    NARCIS (Netherlands)

    Oerlemans, J.

    2005-01-01

    Fluctuations in the volume of the Antarctic ice sheet for the last 740 ka are calculated by forcing a simple ice sheet model with a sea-level history (from a composite deep sea δ18O record) and a temperature history (from the Dome C deuterium record). Antarctic ice volume reaches maximum values of

  8. Lung volume calculations from 81Krm SPECT for the quantification of regional ventilation

    NARCIS (Netherlands)

    Zwijnenburg, A.; Klumper, A.; Roos, C. M.; Jansen, H. M.; van der Schoot, J. B.; van Zandwijk, N.; Marcuse, H. R.

    1988-01-01

    Lung volumes, calculated from 81Krm single-photon emission computed tomography (SPECT) of the lungs, were compared with functional residual capacity (FRC), measured with the helium dilution technique in controls and in patients with various pulmonary diseases. SPECT volume was greater than FRC,

  9. Historical volume estimation and a structured method for calculating habitable volume for in-space and surface habitats

    Science.gov (United States)

    Simon, M.; Bobskill, M. R.; Wilhite, A.

    2012-11-01

    Habitable volume is an important spacecraft design figure of merit necessary to determine the required size of crewed space vehicles, or habitats. In order to design habitats for future missions and properly compare the habitable volumes of future habitat designs with historical spacecraft, consistent methods of both defining the required amount of habitable volume and estimating the habitable volume for a given layout are required. This paper provides a brief summary of historical habitable volume requirements and describes the appropriate application of requirements to various types of missions, particularly highlighting the appropriate application for various gravity environments. Then the proposed "Marching Grid Method", a structured automatic, numerical method to calculate habitable volume for a given habitat design, is described in detail. This method uses a set of geometric Boolean tests applied to a discrete set of points within the pressurized volume to numerically estimate the functionally usable and accessible space that comprises the habitable volume. The application of this method to zero gravity and nonzero gravity environments is also discussed. This proposed method is then demonstrated by calculating habitable volumes using two conceptual-level layouts of habitat designs, one for each type of gravity environment. These include the US Laboratory Module on ISS and the Scenario 12.0 Pressurized Core Module from the recent NASA Lunar Surface Systems studies. Results of this study include a description of the effectiveness of this method for various resolutions of the investigated grid, and commentary highlighting the use of this method to determine the overall utility of interior configurations for automatically evaluating interior layouts.

  10. VOFTools - A software package of calculation tools for volume of fluid methods using general convex grids

    Science.gov (United States)

    López, J.; Hernández, J.; Gómez, P.; Faura, F.

    2018-02-01

    The VOFTools library includes efficient analytical and geometrical routines for (1) area/volume computation, (2) truncation operations that typically arise in VOF (volume of fluid) methods, (3) area/volume conservation enforcement (VCE) in PLIC (piecewise linear interface calculation) reconstruction and(4) computation of the distance from a given point to the reconstructed interface. The computation of a polyhedron volume uses an efficient formula based on a quadrilateral decomposition and a 2D projection of each polyhedron face. The analytical VCE method is based on coupling an interpolation procedure to bracket the solution with an improved final calculation step based on the above volume computation formula. Although the library was originally created to help develop highly accurate advection and reconstruction schemes in the context of VOF methods, it may have more general applications. To assess the performance of the supplied routines, different tests, which are provided in FORTRAN and C, were implemented for several 2D and 3D geometries.

  11. Slope excavation quality assessment and excavated volume calculation in hydraulic projects based on laser scanning technology

    Directory of Open Access Journals (Sweden)

    Chao Hu

    2015-04-01

    Full Text Available Slope excavation is one of the most crucial steps in the construction of a hydraulic project. Excavation project quality assessment and excavated volume calculation are critical in construction management. The positioning of excavation projects using traditional instruments is inefficient and may cause error. To improve the efficiency and precision of calculation and assessment, three-dimensional laser scanning technology was used for slope excavation quality assessment. An efficient data acquisition, processing, and management workflow was presented in this study. Based on the quality control indices, including the average gradient, slope toe elevation, and overbreak and underbreak, cross-sectional quality assessment and holistic quality assessment methods were proposed to assess the slope excavation quality with laser-scanned data. An algorithm was also presented to calculate the excavated volume with laser-scanned data. A field application and a laboratory experiment were carried out to verify the feasibility of these methods for excavation quality assessment and excavated volume calculation. The results show that the quality assessment indices can be obtained rapidly and accurately with design parameters and scanned data, and the results of holistic quality assessment are consistent with those of cross-sectional quality assessment. In addition, the time consumption in excavation project quality assessment with the laser scanning technology can be reduced by 70%−90%, as compared with the traditional method. The excavated volume calculated with the scanned data only slightly differs from measured data, demonstrating the applicability of the excavated volume calculation method presented in this study.

  12. Slope excavation quality assessment and excavated volume calculation in hydraulic projects based on laser scanning technology

    Directory of Open Access Journals (Sweden)

    Chao Hu

    2015-04-01

    Full Text Available Slope excavation is one of the most crucial steps in the construction of a hydraulic project. Excavation project quality assessment and excavated volume calculation are critical in construction management. The positioning of excavation projects using traditional instruments is inefficient and may cause error. To improve the efficiency and precision of calculation and assessment, three-dimensional laser scanning technology was used for slope excavation quality assessment. An efficient data acquisition, processing, and management workflow was presented in this study. Based on the quality control indices, including the average gradient, slope toe elevation, and overbreak and underbreak, cross-sectional quality assessment and holistic quality assessment methods were proposed to assess the slope excavation quality with laser-scanned data. An algorithm was also presented to calculate the excavated volume with laser-scanned data. A field application and a laboratory experiment were carried out to verify the feasibility of these methods for excavation quality assessment and excavated volume calculation. The results show that the quality assessment indices can be obtained rapidly and accurately with design parameters and scanned data, and the results of holistic quality assessment are consistent with those of cross-sectional quality assessment. In addition, the time consumption in excavation quality assessment with the laser scanning technology can be reduced by 70%–90%, as compared with the traditional method. The excavated volume calculated with the scanned data only slightly differs from measured data, demonstrating the applicability of the excavated volume calculation method presented in this study.

  13. Personalización de las constantes en las fórmulas de cálculo de la lente intraocular Personalization of constants in the intraocular lens calculation formulas

    Directory of Open Access Journals (Sweden)

    Anneé Miranda Carracedo

    2012-12-01

    Full Text Available Objetivo: personalizar las constantes A, factor cirujano y profundidad de la cámara anterior para las fórmulas de cálculo de la lente intraocular en la cirugía de catarata en el Instituto Cubano de Oftalmología "Ramón Pando Ferrer" de mayo de 2007 a enero de 2011. Métodos: se realizó un estudio descriptivo retrospectivo donde se estudiaron las constantes A, factor cirujano y profundidad de la cámara anterior. También se evaluó la longitud axial preoperatoria por IOL Master, la mejor agudeza visual sin corrección, el componente esférico esperado, el componente esférico obtenido y los resultados refractivos. Resultados: las constantes optimizadas por interferometría de coherencia parcial son diferentes a las propuestas por los fabricantes de las lentes intraoculares. Estas constantes personalizadas para cada cirujano no mostraron diferencias significativas. Las constantes optimizadas según las longitudes axiales, tienen diferencias significativas en los 3 grupos de estudio. La diferencia entre la lente intraocular implantada y la propuesta con las nuevas constantes resultó menor de 1 D de error en 83,1 % de los pacientes. El 75,4 % quedó bien corregido en relación con la diferencia entre la refracción esperada y la obtenida. Conclusiones: las constantes optimizadas por interferometría de coherencia parcial resultan más elevadas que las propuestas por el fabricante. La optimización de estas en el cálculo de la lente permite, de acuerdo a las características individuales de cada ojo (longitud axial, usar la fórmula adecuada e incrementa la predictibilidad de los resultados refractivos posoperatorios.Objective: to personalize the A, surgeon factor and anterior chamber depth constants for intraocular lens calculation formulas in the cataract surgery at the “Ramón Pando Ferrer” Cuban Ophthalmological Institute from May 2007 to January 2011. Method: a retrospective and descriptive study was made to study the A constant

  14. An Experimental Study on the Macroscopic Spray Characteristics of Biodiesel and Diesel in a Constant Volume Chamber

    Directory of Open Access Journals (Sweden)

    Hongzhan Xie

    2015-06-01

    Full Text Available The objective of this study was to investigate the macroscopic spray characteristics of different 0%–100% blends of biodiesel derived from drainage oil and diesel (BD0, BD20, BD50, BD80, BD100, such as spray tip penetration, average tip velocity at penetration, spray angle, average spray angle, spray evolution process, spray area and spray volume under different injection pressures (60, 70, 80, 90, 100 MPa and ambient pressures (0.1, 0.3, 0.5, 0.7, 0.9 MPa using a common rail system equipped with a constant volume chamber. The characteristic data was extracted from spray images grabbed by a high speed visualization system. The results showed that the ambient pressure and injection pressure had significant effects on the spray characteristics. As the ambient pressure increased, the spray angle increased, while the spray tip penetration and the peak of average tip velocity decreased. As the injection pressure increased, the spray tip penetration, spray angle, spray area and spray volume increased. The increasing blend ratio of biodiesel brought about a shorter spray tip penetration and a smaller spray angle compared with those of diesel. This is due to the comparatively higher viscosity and surface tension of biodiesel, which enhanced the friction effect between fuel and the injector nozzle surface and inhibited the breakup of the liquid jet.

  15. Fast Near-Field Calculation for Volume Integral Equations for Layered Media

    DEFF Research Database (Denmark)

    Kim, Oleksiy S.; Meincke, Peter; Breinbjerg, Olav

    2005-01-01

    An efficient technique based on the Fast Fourier Transform (FFT) for calculating near-field scattering by dielectric objects in layered media is presented. A higher or-der method of moments technique is employed to solve the volume integral equation for the unknown induced volume current density....... Afterwards, the scattered electric field can be easily computed at a regular rectangular grid on any horizontal plane us-ing a 2-dimensional FFT. This approach provides significant speedup in the near-field calculation in comparison to a straightforward numerical evaluation of the ra-diation integral since...

  16. Nuclear criticality safety experiments, calculations, and analyses: 1958 to 1982. Volume 1. Lookup tables

    Energy Technology Data Exchange (ETDEWEB)

    Koponen, B.L.; Hampel, V.E.

    1982-10-21

    This compilation contains 688 complete summaries of papers on nuclear criticality safety as presented at meetings of the American Nuclear Society (ANS). The selected papers contain criticality parameters for fissile materials derived from experiments and calculations, as well as criticality safety analyses for fissile material processing, transport, and storage. The compilation was developed as a component of the Nuclear Criticality Information System (NCIS) now under development at the Lawrence Livermore National Laboratory. The compilation is presented in two volumes: Volume 1 contains a directory to the ANS Transaction volume and page number where each summary was originally published, the author concordance, and the subject concordance derived from the keyphrases in titles. Volume 2 contains - in chronological order - the full-text summaries, reproduced here by permission of the American Nuclear Society from their Transactions, volumes 1-41.

  17. Simplified methodology for control cell constant calculations of the reactor cores for the space kinetics; Metodologia simplificada para calculos das constantes das celulas de controles dos nucleos de reatores para a cinetica espacial

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Rubens Souza dos [Instituto de Engenharia Nuclear (IEN), Rio de Janeiro, RJ (Brazil); Martinez, Aquilino Senra; Alvim, Antonio Carlos Marques [Universidade Federal, Rio de Janeiro, RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia. Programa de Engenharia Nuclear

    2002-07-01

    In this work is presented a methodology which focuses the distribution of neutron absorber rods in nuclear reactor power plants, for utilizing in space kinetic calculations, principally in the cluster ejection transients of control rods. A numerical model for macroscopic constant calculations based on the knowledge of the neutron flux without the control rods is proposed, as alternative to the analytical models, based on the hypothesis of the null current on the cell super boundaries. The proposed model in this work has itself showed adequate to deal with problems with strong space dependence, once that the model showed consistence in the global average built in the analytical model. (author)

  18. Analysis of the interactions between difluoroacetylene and one or two hydrogen fluoride molecules based on calculated spin–spin coupling constants

    DEFF Research Database (Denmark)

    Provasi, Patricio F.; Caputo, María Cristina; Sauer, Stephan P. A.

    2012-01-01

    A theoretical study of FCCF:(HF)n complexes, with n = 1 and 2, has been carried out by means of ab initio computational methods. Two types of complexes are formed: those with FH···p interactions and those with FH···FC hydrogen bonds. The indirect spin–spin coupling constants have been calculated ...

  19. Three-dimensional simulations of microstructural evolution in polycrystalline dual-phase materials with constant volume fractions

    DEFF Research Database (Denmark)

    Poulsen, Stefan Othmar; Voorhees, P.W.; Lauridsen, Erik Mejdal

    2013-01-01

    -state distributions of grain sizes and topology were determined. It was found that the grain size distributions were in good agreement with experimentally characterized size distributions for solid particles coarsening in a liquid matrix, and that the distributions of the number of faces were in good agreement....../50 and 40/60 were examined. After an initial transient, the number of grains decrease from ∼2600 to ∼500. It was found that the mean grain size of grains of both phases obeyed a power law with an exponent of 3, and the microstructural evolution was found to be controlled by diffusion. Steady...... with the topology of single-phase grain structures as determined by experiment and simulation. The evolution of size and number of faces for the minority and majority phase grains in the 40/60 volume fraction simulation is presented and discussed. Non-constant curvature across some interphase boundaries...

  20. Determining the unsaturated hydraulic conductivity of a compacted sand-bentonite mixture under constant volume and free-swell conditions

    CERN Document Server

    Cui, Yu-Jun; Loiseau, Cyril; Delage, Pierre; 10.1016/j.pce.2008.10.017

    2008-01-01

    Highly compacted sand-bentonite mixtures are often considered as possible engineered barriers in deep high-level radioactive waste disposals. In-situ, the saturation of these barriers from their initially unsaturated state is a complex hydro-mechanical coupled process in which temperature effects also play a role. The key parameter of this process is the unsaturated hydraulic conductivity of the barrier. In this paper, isothermal infiltration experiments were conducted to determine the unsaturated hydraulic conductivity according to the instantaneous profile method. To do so, total suction changes were monitored at different locations along the soil specimen by using resistivity relative humidity probes. Three constant volume infiltration tests were conducted showing, unexpectedly, a decrease of the hydraulic conductivity during infiltration. One test performed under free-swell conditions showed the opposite and standard trend. These observations were interpreted in terms of microstructure changes during wett...

  1. Calculations of the indirect nuclear spin-spin coupling constants of PbH4

    DEFF Research Database (Denmark)

    Kirpekar, Sheela; Sauer, Stephan P. A.

    1999-01-01

    dominates the Pb-H coupling, whereas for the H-H coupling it is not more important than the orbital paramagnetic and diamagnetic contributions. Correlation affects mainly the Fermi contact term. Its contribution to the one-bond coupling constant is reduced by correlation, independent of the method used...

  2. New reference charts for testicular volume in Dutch children and adolescents allow the calculation of standard deviation scores

    NARCIS (Netherlands)

    Joustra, S.D.; Plas, E.M. van der; Goede, J.; Oostdijk, W.; Delemarre-van de Waal, H.A.; Hack, W.W.M.; Buuren, S. van; Wit, J.M.

    2015-01-01

    Aim Accurate calculations of testicular volume standard deviation (SD) scores are not currently available. We constructed LMS-smoothed age-reference charts for testicular volume in healthy boys. Methods The LMS method was used to calculate reference data, based on testicular volumes from

  3. Dynamics of chest wall volume regulation during constant work rate exercise in patients with chronic obstructive pulmonary disease

    Energy Technology Data Exchange (ETDEWEB)

    Takara, L.S.; Cunha, T.M.; Barbosa, P.; Rodrigues, M.K.; Oliveira, M.F.; Nery, L.E. [Setor de Função Pulmonar e Fisiologia Clínica do Exercício, Disciplina de Pneumologia, Departamento de Medicina, Universidade Federal de São Paulo, São Paulo, SP (Brazil); Neder, J.A. [Setor de Função Pulmonar e Fisiologia Clínica do Exercício, Disciplina de Pneumologia, Departamento de Medicina, Universidade Federal de São Paulo, São Paulo, SP (Brazil); Division of Respiratory and Critical Care Medicine, Department of Medicine, Queen' s University, Kingston, ON (Canada)

    2012-10-15

    This study evaluated the dynamic behavior of total and compartmental chest wall volumes [(V{sub CW}) = rib cage (V{sub RC}) + abdomen (V{sub AB})] as measured breath-by-breath by optoelectronic plethysmography during constant-load exercise in patients with stable chronic obstructive pulmonary disease. Thirty males (GOLD stages II-III) underwent a cardiopulmonary exercise test to the limit of tolerance (Tlim) at 75% of peak work rate on an electronically braked cycle ergometer. Exercise-induced dynamic hyperinflation was considered to be present when end-expiratory (EE) V{sub CW} increased in relation to resting values. There was a noticeable heterogeneity in the patterns of V{sub CW} regulation as EEV{sub CW} increased non-linearly in 17/30 “hyperinflators” and decreased in 13/30 “non-hyperinflators” (P < 0.05). EEV{sub AB} decreased slightly in 8 of the “hyperinflators”, thereby reducing and slowing the rate of increase in end-inspiratory (EI) V{sub CW} (P < 0.05). In contrast, decreases in EEV{sub CW} in the “non-hyperinflators” were due to the combination of stable EEV{sub RC} with marked reductions in EEV{sub AB}. These patients showed lower EIV{sub CW} and end-exercise dyspnea scores but longer Tlim than their counterparts (P < 0.05). Dyspnea increased and Tlim decreased non-linearly with a faster rate of increase in EIV{sub CW} regardless of the presence or absence of dynamic hyperinflation (P < 0.001). However, no significant between-group differences were observed in metabolic, pulmonary gas exchange and cardiovascular responses to exercise. Chest wall volumes are continuously regulated during exercise in order to postpone (or even avoid) their migration to higher operating volumes in patients with COPD, a dynamic process that is strongly dependent on the behavior of the abdominal compartment.

  4. Dynamics of chest wall volume regulation during constant work rate exercise in patients with chronic obstructive pulmonary disease

    Directory of Open Access Journals (Sweden)

    L.S. Takara

    2012-12-01

    Full Text Available This study evaluated the dynamic behavior of total and compartmental chest wall volumes [(V CW = rib cage (V RC + abdomen (V AB] as measured breath-by-breath by optoelectronic plethysmography during constant-load exercise in patients with stable chronic obstructive pulmonary disease. Thirty males (GOLD stages II-III underwent a cardiopulmonary exercise test to the limit of tolerance (Tlim at 75% of peak work rate on an electronically braked cycle ergometer. Exercise-induced dynamic hyperinflation was considered to be present when end-expiratory (EE V CW increased in relation to resting values. There was a noticeable heterogeneity in the patterns of V CW regulation as EEV CW increased non-linearly in 17/30 "hyperinflators" and decreased in 13/30 "non-hyperinflators" (P < 0.05. EEV AB decreased slightly in 8 of the "hyperinflators", thereby reducing and slowing the rate of increase in end-inspiratory (EI V CW (P < 0.05. In contrast, decreases in EEV CW in the "non-hyperinflators" were due to the combination of stable EEV RC with marked reductions in EEV AB. These patients showed lower EIV CW and end-exercise dyspnea scores but longer Tlim than their counterparts (P < 0.05. Dyspnea increased and Tlim decreased non-linearly with a faster rate of increase in EIV CW regardless of the presence or absence of dynamic hyperinflation (P < 0.001. However, no significant between-group differences were observed in metabolic, pulmonary gas exchange and cardiovascular responses to exercise. Chest wall volumes are continuously regulated during exercise in order to postpone (or even avoid their migration to higher operating volumes in patients with COPD, a dynamic process that is strongly dependent on the behavior of the abdominal compartment.

  5. A Nomogram for Calculation of Maximum Recommended Dose by Volume of Local Anesthetic in Pediatric Dentistry.

    Science.gov (United States)

    Williams, David; Splaver, Theodore; Walker, Jason

    2017-03-15

    Calculation of maximum recommended doses for local anesthetic agents and added vasopressors is complex and error-prone with potentially fatal consequences. The purpose of this investigation was to develop a nomogram to calculate the maximum recommended doses, expressed as volumes (number of cartridges or ml) of local anesthetic for healthy U.S. pediatric dental patients based on body weight, and test its accuracy and reproducibility. Standard mathematical techniques were used to draft the nomogram. Validation was performed using simulated patient data, and Bland-Altman analysis was used to evaluate the accuracy and repeatability of the nomogram. The nomogram was found to have a bias of 0.01 ml, with limits of agreement -0.04ml to 0.06ml and, thus, was considered to be within an acceptable range for clinical use. Our nomogram rapidly calculated the maximum recommended doses by volume of local anesthetic agents in common use to a high degree of accuracy and repeatability.

  6. Improving the Volume Dependence of Two-Body Binding Energies Calculated with Lattice QCD

    CERN Document Server

    Davoudi, Zohreh

    2011-01-01

    Volume modifications to the binding of two-body systems in large cubic volumes of extent L depend upon the total momentum and exponentially upon the ratio of L to the size of the boosted system. Recent work by Bour et al determined the momentum dependence of the leading volume modifications to nonrelativistic systems with periodic boundary conditions imposed on the single-particle wavefunctions, enabling them to numerically determine the scattering of such bound states using a low-energy effective field theory and Luschers finite-volume method. The calculation of bound nuclear systems directly from QCD using Lattice QCD has begun, and it is important to reduce the systematic uncertainty introduced into such calculations by the finite spatial extent of the gauge-field configurations. We extend the work of Bour et al from nonrelativistic quantum mechanics to quantum field theory by generalizing the work of Luscher and of Gottlieb and Rummukainen to boosted two-body bound states. The volume modifications to bind...

  7. Calculation of the Dielectric Constant as a Function of Temperature Close to the Smectic A-Smectic B Transition in B5 Using the Mean Field Model

    Directory of Open Access Journals (Sweden)

    Hamit Yurtseven

    2012-01-01

    Full Text Available The temperature dependence of the static dielectric constant ( is calculated close to the smectic A-smectic B ( transition ( = 71.3°C for the liquid crystal compound B5. By expanding the free energy in terms of the order parameter in the mean field theory, the expression for the dielectric susceptibility (dielectric constant is derived and is fitted to the experimental data for which was obtained at the field strengths of 0 and 67 kV/cm from literature. Coefficients in the free energy expansion are determined from our fit for the transition of B5. Our results show that the observed behaviour of the dielectric constant close to the transition in B5 can be described satisfactorily by our mean field model.

  8. Automated Fragmentation Polarizable Embedding Density Functional Theory (PE-DFT) Calculations of Nuclear Magnetic Resonance (NMR) Shielding Constants of Proteins with Application to Chemical Shift Predictions

    DEFF Research Database (Denmark)

    Steinmann, Casper; Bratholm, Lars Andersen; Olsen, Jógvan Magnus Haugaard

    2017-01-01

    Full-protein nuclear magnetic resonance (NMR) shielding constants based on ab initio calculations are desirable, because they can assist in elucidating protein structures from NMR experiments. In this work, we present NMR shielding constants computed using a new automated fragmentation (J. Phys....... Chem. B 2009, 113, 10380–10388) approach in the framework of polarizable embedding density functional theory. We extend our previous work to give both basis set recommendations and comment on how large the quantum mechanical region should be to successfully compute 13C NMR shielding constants...... that are comparable with experiment. The introduction of a probabilistic linear regression model allows us to substantially reduce the number of snapshots that are needed to make comparisons with experiment. This approach is further improved by augmenting snapshot selection with chemical shift predictions by which we...

  9. Respiratory influence on left atrial volume calculation with 3D-echocardiography

    DEFF Research Database (Denmark)

    Sørgaard, Mathias; Linde, Jesper J; Ismail, Hafsa

    2016-01-01

    BACKGROUND: Left atrial volume (LAV) estimation with 3D echocardiography has been shown to be more accurate than 2D volume calculation. However, little is known about the possible effect of respiratory movements on the accuracy of the measurement. METHODS: 100 consecutive patients admitted...... with chest pain were examined with 3D echocardiography and LAV was quantified during inspiratory breath hold, expiratory breath hold and during free breathing. RESULTS: Of the 100 patients, only 65 had an echocardiographic window that allowed for 3D echocardiography in the entire respiratory cycle. Mean...

  10. Numerical calculation of the decay widths, the decay constants, and the decay energy spectra of the resonances of the delta-shell potential

    Energy Technology Data Exchange (ETDEWEB)

    Madrid, Rafael de la, E-mail: rafael.delamadrid@lamar.edu

    2017-06-15

    We express the resonant energies of the delta-shell potential in terms of the Lambert W function, and we calculate their decay widths and decay constants. The ensuing numerical results strengthen the interpretation of such decay widths and constants as a way to quantify the coupling between a resonance and the continuum. We calculate explicitly the decay energy spectrum of the resonances of the delta-shell potential, and we show numerically that the lineshape of such spectrum is not the same as, and can be very different from, the Breit–Wigner (Lorentzian) distribution. We argue that the standard Golden Rule cannot describe the interference of two resonances, and we show how to describe such interference by way of the decay energy spectrum of two resonant states.

  11. Numerical calculation of the decay widths, the decay constants, and the decay energy spectra of the resonances of the delta-shell potential

    Science.gov (United States)

    de la Madrid, Rafael

    2017-06-01

    We express the resonant energies of the delta-shell potential in terms of the Lambert W function, and we calculate their decay widths and decay constants. The ensuing numerical results strengthen the interpretation of such decay widths and constants as a way to quantify the coupling between a resonance and the continuum. We calculate explicitly the decay energy spectrum of the resonances of the delta-shell potential, and we show numerically that the lineshape of such spectrum is not the same as, and can be very different from, the Breit-Wigner (Lorentzian) distribution. We argue that the standard Golden Rule cannot describe the interference of two resonances, and we show how to describe such interference by way of the decay energy spectrum of two resonant states.

  12. Correlated calculations of indirect nuclear spin-spin coupling constants using second-order polarization propagator approximations: SOPPA and SOPPA(CCSD)

    DEFF Research Database (Denmark)

    Enevoldsen, Thomas; Oddershede, Jens; Sauer, Stephan P. A.

    1998-01-01

    We present correlated calculations of the indirect nuclear spin-spin coupling constants of HD, HF, H2O, CH4, C2H2, BH, AlH, CO and N2 at the level of the second-order polarization propagator approximation (SOPPA) and the second-order polarization propagator approximation with coupled-cluster sing......We present correlated calculations of the indirect nuclear spin-spin coupling constants of HD, HF, H2O, CH4, C2H2, BH, AlH, CO and N2 at the level of the second-order polarization propagator approximation (SOPPA) and the second-order polarization propagator approximation with coupled...

  13. Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface.

    Science.gov (United States)

    de Oliveira-Filho, Antonio G S; Ornellas, Fernando R; Bowman, Joel M

    2014-12-26

    We report reaction cross sections, energy disposal, and rate constants for the OH + HBr → Br + H2O and OH + DBr → Br + HDO reactions from quasiclassical trajectory calculations using an ab initio potential energy surface [ de Oliveira-Filho , A. G. S. ; Ornellas , F. R. ; Bowman , J. M. J. Phys. Chem. Lett. 2014 , 5 , 706 - 712 ]. Comparison with available experiments are made and generally show good agreement.

  14. Theoretical calculations of high-pressure phases of NiF2: An ab initio constant-pressure study

    Science.gov (United States)

    Kürkçü, Cihan; Merdan, Ziya; Öztürk, Hülya

    2016-12-01

    We have studied the structural properties of the antiferromagnetic NiF2 tetragonal structure with P42/ mnm symmetry using density functional theory (DFT) under rapid hydrostatic pressure up to 400 GPa. For the exchange correlation energy we used the local density approximation (LDA) of Ceperley and Alder (CA). Two phase transformations are successfully observed through the simulations. The structures of XF2-type compounds crystallize in rutile-type structure. NiF2 undergoes phase transformations from the tetragonal rutile-type structure with space group P42/ mnm to orthorhombic CaCl2-type structure with space group Pnnm and from this orthorhombic phase to monoclinic structure with space group C2/ m at 152 GPa and 360 GPa, respectively. These phase changes are also studied by total energy and enthalpy calculations. According to these calculations, we perdict these phase transformations at about 1.85 and 30 GPa.

  15. Impact of Corrections to the Spallings Volume Calculation on Waste Isolation Pilot Plant Performance Assessment [Poster

    Energy Technology Data Exchange (ETDEWEB)

    Kicker, Dwayne Curtis; Herrick, Courtney G; Zeitler, Todd

    2016-01-01

    The numerical code DRSPALL (from direct release spallings) is written to calculate the volume of Waste Isolation Pilot Plant solid waste subject to material failure and transport to the surface (i.e., spallings) as a result of a hypothetical future inadvertent drilling intrusion into the repository. An error in the implementation of the DRSPALL finite difference equations was discovered and documented in a software problem report in accordance with the quality assurance procedure for software requirements. This paper describes the corrections to DRSPALL and documents the impact of the new spallings data from the modified DRSPALL on previous performance assessment calculations. Updated performance assessments result in more simulations with spallings, which generally translates to an increase in spallings releases to the accessible environment. Total normalized radionuclide releases using the modified DRSPALL data were determined by forming the summation of releases across each potential release pathway, namely borehole cuttings and cavings releases, spallings releases, direct brine releases, and transport releases. Because spallings releases are not a major contributor to the total releases, the updated performance assessment calculations of overall mean complementary cumulative distribution functions for total releases are virtually unchanged. Therefore, the corrections to the spallings volume calculation did not impact Waste Isolation Pilot Plant performance assessment calculation results.

  16. Impact of Corrections to the Spallings Volume Calculation on Waste Isolation Pilot Plant Performance Assessment

    Energy Technology Data Exchange (ETDEWEB)

    Kicker, Dwayne Curtis [Stoller Newport News Nuclear, Inc., Carlsbad, NM (United States); Herrick, Courtney G [Sandia National Laboratories., Carlsbad, NM (United States); Zeitler, Todd [Sandia National Laboratories., Carlsbad, NM (United States)

    2015-11-01

    The numerical code DRSPALL (from direct release spallings) is written to calculate the volume of Waste Isolation Pilot Plant solid waste subject to material failure and transport to the surface (i.e., spallings) as a result of a hypothetical future inadvertent drilling intrusion into the repository. An error in the implementation of the DRSPALL finite difference equations was discovered and documented in a software problem report in accordance with the quality assurance procedure for software requirements. This paper describes the corrections to DRSPALL and documents the impact of the new spallings data from the modified DRSPALL on previous performance assessment calculations. Updated performance assessments result in more simulations with spallings, which generally translates to an increase in spallings releases to the accessible environment. Total normalized radionuclide releases using the modified DRSPALL data were determined by forming the summation of releases across each potential release pathway, namely borehole cuttings and cavings releases, spallings releases, direct brine releases, and transport releases. Because spallings releases are not a major contributor to the total releases, the updated performance assessment calculations of overall mean complementary cumulative distribution functions for total releases are virtually unchanged. Therefore, the corrections to the spallings volume calculation did not impact Waste Isolation Pilot Plant performance assessment calculation results.

  17. Development of computerized stocktaking system in mine surveying for ore mineral volume calculation in covered storehouses

    Science.gov (United States)

    Valdman, V. V.; Gridnev, S. O.

    2017-10-01

    The article examines into the vital issues of measuring and calculating the raw stock volumes in covered storehouses at mining and processing plants. The authors bring out two state-of-the-art high-technology solutions: 1 – to use the ground-based laser scanning system (the method is reasonably accurate and dependable, but costly and time consuming; it also requires the stoppage of works in the storehouse); 2 – to use the fundamentally new computerized stocktaking system in mine surveying for the ore mineral volume calculation, based on the profile digital images. These images are obtained via vertical projection of the laser plane onto the surface of the stored raw materials.

  18. Calculating Study of the Turbine at Last Stage Flow Field in the Small Volume Flow Condition

    Directory of Open Access Journals (Sweden)

    Jiang Tieliu

    2017-11-01

    Full Text Available Based on basic equation and boundary layer theory of pneumodynamics, the thesis conducts numerical modeling and theoretical analysis on the last stage of turbine characteristics at a small volume flow by using FLUENT, gives an emphasized analysis on the position of first occurrence of backflow and its expansion direction and comes up with flow structure of the turbine flow field at last stage in the small volume flow condition. In connection with specific experiments, it puts forward the flow model of backflow occurring in the last stage field and the solution to the model. The flow field at last stage for a 100MW turbine in the small volume flow condition that is calculated by using the model is basically in conformity to the actual result.

  19. Calculation of electric fields in a multiple cylindrical volume conductor induced by magnetic coils.

    Science.gov (United States)

    Schnabel, V; Struijk, J J

    2001-01-01

    A method is presented for calculating the electric field, that is induced in a cylindrical volume conductor by an alternating electrical current through a magnetic coil of arbitrary shape and position. The volume conductor is modeled as a set of concentric, infinitely long, homogeneous cylinders embedded in an outer space that extends to infinity. An analytic expression of the primary electric field induced by the magnetic coil, assuming quasi-static conditions, is combined with the analytic solution of the induced electric scalar potential due to the inhomogeneities of the volume conductor at the cylindrical interfaces. The latter is obtained by the method of separation of variables based on expansion with modified Bessel functions. Numerical results are presented for the case of two cylinders representing a nerve bundle with perineurium. An active cable model of a myelinated nerve fiber is included, and the effect of the nerve fiber's undulation is shown.

  20. Flame kernel characterization of laser ignition of natural gas-air mixture in a constant volume combustion chamber

    Science.gov (United States)

    Srivastava, Dhananjay Kumar; Dharamshi, Kewal; Agarwal, Avinash Kumar

    2011-09-01

    In this paper, laser-induced ignition was investigated for compressed natural gas-air mixtures. Experiments were performed in a constant volume combustion chamber, which simulate end of the compression stroke conditions of a SI engine. This chamber simulates the engine combustion chamber conditions except turbulence of air-fuel mixture. It has four optical windows at diametrically opposite locations, which are used for laser ignition and optical diagnostics simultaneously. All experiments were conducted at 10 bar chamber pressure and 373 K chamber temperature. Initial stage of combustion phenomena was visualized by employing Shadowgraphy technique using a high speed CMOS camera. Flame kernel development of the combustible fuel-air mixture was investigated under different relative air-fuel ratios ( λ=1.2-1.7) and the images were interrogated for temporal propagation of flame front. Pressure-time history inside the combustion chamber was recorded and analyzed. This data is useful in characterizing the laser ignition of natural gas-air mixture and can be used in developing an appropriate laser ignition system for commercial use in SI engines.

  1. New conformity indices based on the calculation of distances between the target volume and the volume of reference isodose

    Science.gov (United States)

    Park, J M; Park, S-Y; Ye, S-J; Kim, J H; Carlson, J

    2014-01-01

    Objective: To present conformity indices (CIs) based on the distance differences between the target volume (TV) and the volume of reference isodose (VRI). Methods: The points on the three-dimensional surfaces of the TV and the VRI were generated. Then, the averaged distances between the points on the TV and the VRI were calculated (CIdistance). The performance of the presented CIs were evaluated by analysing six situations, which were a perfect match, an expansion and a reduction of the distance from the centroid to the VRI compared with the distance from the centroid to the TV by 10%, a lateral shift of the VRI by 3 cm, a rotation of the VRI by 45° and a spherical-shaped VRI having the same volume as the TV. The presented CIs were applied to the clinical prostate and head and neck (H&N) plans. Results: For the perfect match, CIdistance was 0 with 0 as the standard deviation (SD). When expanding and reducing, CIdistance was 10 and −10 with SDs 11. The average value of the CIdistance in the prostate and H&N plans was 0.13 ± 7.44 and 6.04 ± 23.27, respectively. Conclusion: The performance of the CIdistance was equal or better than those of the conventional CIs. Advances in knowledge: The evaluation of target conformity by the distances between the surface of the TV and the VRI could be more accurate than evaluation with volume information. PMID:25225915

  2. Quantum mechanical calculations of state-to-state cross sections and rate constants for the F + DCl → Cl + DF reaction.

    Science.gov (United States)

    Bulut, Niyazi; Kłos, Jacek; Roncero, Octavio

    2015-06-07

    We present accurate state-to-state quantum wave packet calculations of integral cross sections and rate constants for the title reaction. Calculations are carried out on the best available ground 1(2)A' global adiabatic potential energy surface of Deskevich et al. [J. Chem. Phys. 124, 224303 (2006)]. Converged state-to-state reaction cross sections have been calculated for collision energies up to 0.5 eV and different initial rotational and vibrational excitations, DCl(v = 0, j = 0 - 1; v = 1, j = 0). Also, initial-state resolved rate constants of the title reaction have been calculated in a temperature range of 100-400 K. It is found that the initial rotational excitation of the DCl molecule does not enhance reactivity, in contract to the reaction with the isotopologue HCl in which initial rotational excitation produces an important enhancement. These differences between the isotopologue reactions are analyzed in detail and attributed to the presence of resonances for HCl(v = 0, j), absent in the case of DCl(v = 0, j). For vibrational excited DCl(v = 1, j), however, the reaction cross section increases noticeably, what is also explained by another resonance.

  3. A Calculation Method of Equivalent Circuit Constants of Synchronous Machines Considering Field Transient Characteristics Using DC Decay Testing Method with Open and Shorted Field Windings

    Science.gov (United States)

    Kano, Takashi; Watanabe, Yasutoshi; Ara, Takahiro; Matsumura, Toshiro

    It has been reported that the calculated values of field transient behavior in a synchronous machine differ considerably from the measured values. This discrepancy is caused by the use of equivalent circuit constants in standardized tests provied by JEC2130 and IEC60034-4, in which the mutual leakage reactance between the damper and field windings is not accounted for. The authors have been studying a method for calculating equivalent circuit constants for the accurate simulation of transient behavior including the field winding side, by means of a standstill test with a small-capacity DC power supply (DC decay testing method). The authors have previously presented a calculation method using operational impedances with the field windings opened, shorted, and inserted with an external resistance, obtained by the DC decay test. This paper presents a new method in which the external resistance used in our previous method is no longer needed. Instead, the field winding impedance is determined based on its invariability against slip. The validity of the new method is demonstrated by comparing the calculated and measured values of the armature and field currents during a sudden three-phase short-circuit using 10kVA-200V-31.9A-4P-50Hz test machines.

  4. Is the Ellipsoid Formula the New Standard for 3-Tesla MRI Prostate Volume Calculation without Endorectal Coil?

    Science.gov (United States)

    Haas, Matthias; Günzel, Karsten; Miller, Kurt; Hamm, Bernd; Cash, Hannes; Asbach, Patrick

    2017-01-01

    Prostate volume in multiparametric MRI (mpMRI) is of clinical importance. For 3-Tesla mpMRI without endorectal coil, there is no distinctive standard for volume calculation. We tested the accuracy of the ellipsoid formula with planimetric volume measurements as reference and investigated the correlation of gland volume and cancer detection rate on MRI/ultrasound (MRI/US) fusion-guided biopsy. One hundred forty-three patients with findings on 3-Tesla mpMRI suspicious of cancer and subsequent MRI/US fusion-guided targeted biopsy and additional systematic biopsy were analyzed. T2-weighted images were used for measuring the prostate diameters and for planimetric volume measurement by a segmentation software. Planimetric and calculated prostate volumes were compared with clinical data. The median prostate volume was 48.1 ml (interquartile range (IQR) 36.9-62.1 ml). Volume calculated by the ellipsoid formula showed a strong concordance with planimetric volume, with a tendency to underestimate prostate volume (median volume 43.1 ml (IQR 31.2-58.8 ml); r = 0.903, p Tesla mpMRI without endorectal coil. It allows a fast, valid volume calculation in prostate MRI datasets. © 2016 S. Karger AG, Basel.

  5. Nonmonotonic Temperature Dependence of the Pressure-Dependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational Transition-State Theory.

    Science.gov (United States)

    Zhang, Hui; Zhang, Xin; Truhlar, Donald G; Xu, Xuefei

    2017-11-30

    The reaction between H and benzene is a prototype for reactions of radicals with aromatic hydrocarbons. Here we report calculations of the reaction rate constants and the branching ratios of the two channels of the reaction (H addition and H abstraction) over a wide temperature and pressure range. Our calculations, obtained with an accurate potential energy surface, are based on variational transition-state theory for the high-pressure limit of the addition reaction and for the abstraction reaction and on system-specific quantum Rice-Ramsperger-Kassel theory calibrated by variational transition-state theory for pressure effects on the addition reaction. The latter is a very convenient way to include variational effects, corner-cutting tunneling, and anharmonicity in falloff calculations. Our results are in very good agreement with the limited experimental data and show the importance of including pressure effects in the temperature interval where the mechanism changes from addition to abstraction. We found a negative temperature effect of the total reaction rate constants at 1 atm pressure in the temperature region where experimental data are missing and accurate theoretical data were previously missing as well. We also calculated the H + C 6 H 6 /C 6 D 6 and D + C 6 H 6 /C 6 D 6 kinetic isotope effects, and we compared our H + C 6 H 6 results to previous theoretical data for H + toluene. We report a very novel nonmonotonic dependence of the kinetic isotope effect on temperature. A particularly striking effect is the prediction of a negative temperature dependence of the total rate constant over 300-500 K wide temperature ranges, depending on the pressure but generally in the range from 600 to 1700 K, which includes the temperature range of ignition in gasoline engines, which is important because aromatics are important components of common fuels.

  6. Quantifying Na(I)-insulin and K(I)-insulin non-covalent complexes by ESI-MS method and calculation of their equilibrium constants.

    Science.gov (United States)

    Gülfen, Mustafa; Özdemir, Abdil; Lin, Jung-Lee; Chen, Chung-Hsuan

    2017-10-01

    In this study, the dissociation and formation equilibrium constants of Na(I)-insulin and K(I)-insulin complexes have been calculated after the quantifying them on ESI mass spectrometer. The ESI-MS spectra of the complexes were measured by using the solvents as 50% MeOH in water and 100% water. The effect of pH on the Na(I)-insulin and K(I)-insulin complex formation were examined. Serial binding of Na(I) and K(I) ions to the insulin molecule were observed in the ESI-MS measurements. The first formation equilibrium constants were calculated as Kf1: 5.48×103 1/M for Na(I)-insulin complex and Kf1: 4.87×103 1/M for K(I)-insulin in water. The binding capability of Na(I) ions to insulin molecule is higher than the capability of K(I) ions. In case of a comparison together with Ca(II)-insulin and Mg(II)-insulin, the formation equilibrium constants (Kf1) are in order of Ca(II)-insulin>Mg(II)-insulin>Na(I)-insulin>K(I)-insulin in water. The results showed that Na(I) and K(I) ions are involved in the formation of the non-covalent complexes with insulin molecule, since high extracellular and intracellular concentrations of them in the body. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Ab initio calculations of spectroscopic constants and vibrational state lifetimes of diatomic alkali-alkaline-earth cations.

    Science.gov (United States)

    Fedorov, Dmitry A; Barnes, Dustin K; Varganov, Sergey A

    2017-09-28

    We investigate the lifetimes of vibrational states of diatomic alkali-alkaline-earth cations to determine their suitability for ultracold experiments where long decoherence time and controllability by an external electric field are desirable. The potential energy and permanent dipole moment curves for the ground electronic states of LiBe + , LiMg + , NaBe + , and NaMg + are obtained using the coupled cluster with singles doubles and triples and multireference configuration interaction methods in combination with large all-electron cc-pCVQZ and aug-cc-pCV5Z basis sets. The energies and wave functions of all vibrational states are obtained by solving the Schrödinger equation for nuclei with the B-spline basis set method. To predict the lifetimes of vibrational states, the transition dipole moments, as well as the Einstein coefficients describing spontaneous emission, and the stimulated absorption and emission induced by black body radiation are calculated. Surprisingly, in all studied ions, the lifetimes of the highest excited vibrational states are similar to the lifetimes of the ground vibrational states indicating that highly vibrationally excited ions could be useful for the ultracold experiments requiring long decoherence time.

  8. Ab initio calculations of spectroscopic constants and vibrational state lifetimes of diatomic alkali-alkaline-earth cations

    Science.gov (United States)

    Fedorov, Dmitry A.; Barnes, Dustin K.; Varganov, Sergey A.

    2017-09-01

    We investigate the lifetimes of vibrational states of diatomic alkali-alkaline-earth cations to determine their suitability for ultracold experiments where long decoherence time and controllability by an external electric field are desirable. The potential energy and permanent dipole moment curves for the ground electronic states of LiBe+, LiMg+, NaBe+, and NaMg+ are obtained using the coupled cluster with singles doubles and triples and multireference configuration interaction methods in combination with large all-electron cc-pCVQZ and aug-cc-pCV5Z basis sets. The energies and wave functions of all vibrational states are obtained by solving the Schrödinger equation for nuclei with the B-spline basis set method. To predict the lifetimes of vibrational states, the transition dipole moments, as well as the Einstein coefficients describing spontaneous emission, and the stimulated absorption and emission induced by black body radiation are calculated. Surprisingly, in all studied ions, the lifetimes of the highest excited vibrational states are similar to the lifetimes of the ground vibrational states indicating that highly vibrationally excited ions could be useful for the ultracold experiments requiring long decoherence time.

  9. Soot temperature and KL factor for biodiesel and diesel spray combustion in a constant volume combustion chamber

    KAUST Repository

    Zhang, Ji

    2013-07-01

    This paper presents measurements of the soot temperature and KL factor for biodiesel and diesel combustion in a constant volume chamber using a two-color technique. This technique uses a high-speed camera coupled with two narrowband filters (550. nm and 650. nm, 10. nm FWHM). After calibration, statistical analysis shows that the uncertainty of the two-color temperature is less than 5%, while it is about 50% for the KL factor. This technique is then applied to the spray combustion of biodiesel and diesel fuels under an ambient oxygen concentration of 21% and ambient temperatures of 800, 1000 and 1200. K. The heat release result shows higher energy utilization efficiency for biodiesel compared to diesel under all conditions; meanwhile, diesel shows a higher pressure increase due to its higher heating value. Biodiesel yields a lower temperature inside the flame area, a longer soot lift-off length, and a smaller soot area compared to diesel. Both the KL factor and the total soot with biodiesel are lower than with diesel throughout the entire combustion process, and this difference becomes larger as the ambient temperature decreases. Biodiesel shows approximately 50-100. K lower temperatures than diesel at the quasi-steady stage for 1000 and 1200. K ambient temperature, while diesel shows a lower temperature than biodiesel at 800. K ambient. This result may raise the question of how important the flame temperature is in explaining the higher NO. x emissions often observed during biodiesel combustion. Other factors may also play an important role in controlling NO. x emissions. Both biodiesel and diesel temperature measurements show a monotonic dependence on the ambient temperature. However, the ambient temperature appears to have a more significant effect on the soot formation and oxidation in diesel combustion, while biodiesel combustion soot characteristics shows relative insensitivity to the ambient temperature. © 2013 Elsevier Ltd.

  10. On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

    DEFF Research Database (Denmark)

    Zarycz, M. Natalia C.; Provasi, Patricio F.; Sauer, Stephan P. A.

    2015-01-01

    It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCC), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections......-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated...... to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states....

  11. Usage of Geoprocessing Services in Precision Forestry for Wood Volume Calculation and Wind Risk Assessment

    Directory of Open Access Journals (Sweden)

    Tomáš Mikita

    2015-01-01

    Full Text Available This paper outlines the idea of a precision forestry tool for optimizing clearcut size and shape within the process of forest recovery and its publishing in the form of a web processing service for forest owners on the Internet. The designed tool titled COWRAS (Clearcut Optimization and Wind Risk Assessment is developed for optimization of clearcuts (their location, shape, size, and orientation with subsequent wind risk assessment. The tool primarily works with airborne LiDAR data previously processed to the form of a digital surface model (DSM and a digital elevation model (DEM. In the first step, the growing stock on the planned clearcut determined by its location and area in feature class is calculated (by the method of individual tree detection. Subsequently tree heights from canopy height model (CHM are extracted and then diameters at breast height (DBH and wood volume using the regressions are calculated. Information about wood volume of each tree in the clearcut is exported and summarized in a table. In the next step, all trees in the clearcut are removed and a new DSM without trees in the clearcut is generated. This canopy model subsequently serves as an input for evaluation of wind risk damage by the MAXTOPEX tool (Mikita et al., 2012. In the final raster, predisposition of uncovered forest stand edges (around the clearcut to wind risk is calculated based on this analysis. The entire tool works in the background of ArcGIS server as a spatial decision support system for foresters.

  12. The Implementation of Cumulative Learning Theory in Calculating Triangular Prism and Tube Volumes

    Science.gov (United States)

    Muklis, M.; Abidin, C.; Pamungkas, M. D.; Masriyah

    2018-01-01

    This study aims at describing the application of cumulative learning theory in calculating the volume of a triangular prism and a tube as well as revealing the students’ responses toward the learning. The research method used was descriptive qualitative with elementary school students as the subjects of the research. Data obtained through observation, field notes, questionnaire, tests, and interviews. The results from the application of cumulative learning theory obtained positive students’ responses in following the learning and students’ learning outcomes was dominantly above the average. This showed that cumulative learning could be used as a reference to be implemented in learning, so as to improve the students’ achievement.

  13. The one year outcome after KTP laser vaporization of the prostate according to the calculated vaporized volume.

    Science.gov (United States)

    Ku, Ja Hyeon; Cho, Jeong Yeon; Cho, Sung Yong; Kim, Soo Woong; Paick, Jae-Seung

    2009-12-01

    The aim of this study was to develop a new simple method for measuring the vaporized volume and to evaluate the outcome of high-power potassium-titanyl-phosphate (KTP) photoselective laser vaporization. A total of 65 patients, with a mean age of 67.7 yr (range 53 to 85), were included in the primary analysis. The vaporized volume was calculated as the pre-operative volume minus the immediate post-operative volume plus the volume of the defect. For all patients, the subjective and objective parameters improved significantly after surgery. Six and 12 months after surgery, the group with a smaller vaporized volume (vaporized volume (>or=15 g). There were no differences in the change of the maximum flow rate and post-void residual based on the vaporized volume. Our findings suggest that the subjective improvement, after a high-power KTP laser vaporization, may be dependent on the vaporized volume obtained after the procedure.

  14. Two-stage Lagrangian modeling of ignition processes in ignition quality tester and constant volume combustion chambers

    KAUST Repository

    Alfazazi, Adamu

    2016-08-10

    The ignition characteristics of isooctane and n-heptane in an ignition quality tester (IQT) were simulated using a two-stage Lagrangian (TSL) model, which is a zero-dimensional (0-D) reactor network method. The TSL model was also used to simulate the ignition delay of n-dodecane and n-heptane in a constant volume combustion chamber (CVCC), which is archived in the engine combustion network (ECN) library (http://www.ca.sandia.gov/ecn). A detailed chemical kinetic model for gasoline surrogates from the Lawrence Livermore National Laboratory (LLNL) was utilized for the simulation of n-heptane and isooctane. Additional simulations were performed using an optimized gasoline surrogate mechanism from RWTH Aachen University. Validations of the simulated data were also performed with experimental results from an IQT at KAUST. For simulation of n-dodecane in the CVCC, two n-dodecane kinetic models from the literature were utilized. The primary aim of this study is to test the ability of TSL to replicate ignition timings in the IQT and the CVCC. The agreement between the model and the experiment is acceptable except for isooctane in the IQT and n-heptane and n-dodecane in the CVCC. The ability of the simulations to replicate observable trends in ignition delay times with regard to changes in ambient temperature and pressure allows the model to provide insights into the reactions contributing towards ignition. Thus, the TSL model was further employed to investigate the physical and chemical processes responsible for controlling the overall ignition under various conditions. The effects of exothermicity, ambient pressure, and ambient oxygen concentration on first stage ignition were also studied. Increasing ambient pressure and oxygen concentration was found to shorten the overall ignition delay time, but does not affect the timing of the first stage ignition. Additionally, the temperature at the end of the first stage ignition was found to increase at higher ambient pressure

  15. Spray combustion of biomass-based renewable diesel fuel using multiple injection strategy in a constant volume combustion chamber

    KAUST Repository

    Jing, Wei

    2016-05-26

    Effect of a two-injection strategy associated with a pilot injection on the spray combustion process was investigated under conventional diesel combustion conditions (1000 K and 21% O2 concentration) for a biomass-based renewable diesel fuel, i.e., biomass to liquid (BTL), and a regular No. 2 diesel in a constant volume combustion chamber using multiband flame measurement and two-color pyrometry. The spray combustion flame structure was visualized by using multiband flame measurement to show features of soot formation, high temperature and low temperature reactions, which can be characterized by the narrow-band emissions of radicals or intermediate species such as OH, HCHO, and CH. The objective of this study was to identify the details of multiple injection combustion, including a pilot and a main injection, and to provide further insights on how the two injections interact. For comparison, three injection strategies were considered for both fuels including a two-injection strategy (Case TI), single injection strategy A (Case SA), and single injection strategy B (Case SB). Multiband flame results show a strong interaction, indicated by OH emissions between the pilot injection and the main injection for Case TI while very weak connection is found for the narrow-band emissions acquired through filters with centerlines of 430 nm and 470 nm. A faster flame development is found for the main injection of Case TI compared to Cases SA and SB, which could be due to the high temperature environment and large air entrainment from the pilot injection. A lower soot level is observed for the BTL flame compared to the diesel flame for all three injection types. Case TI has a lower soot level compared to Cases SA and SB for the BTL fuel, while the diesel fuel maintains a similar soot level among all three injection strategies. Soot temperature of Case TI is lower for both fuels, especially for diesel. Based on these results, it is expected that the two-injection strategy could be

  16. MRI-determined left ventricular "crescent effect": a consequence of the slight deviation of contents of the pericardial sack from the constant-volume state.

    Science.gov (United States)

    Waters, Emily A; Bowman, Andrew W; Kovács, Sándor J

    2005-02-01

    During one cardiac cycle, the volume encompassed by the pericardial sack in healthy subjects remains nearly constant, with a transient +/-5% decrease in volume at end systole. This "constant-volume" attribute defines a constraint that the longitudinal versus radial pericardial contour dimension relationship must obey. Using cardiac MRI, we determined the extent to which the constant-volume attribute is valid from four-chamber slices (two-dimensional) compared with three-dimensional volumetric data. We also compared the relative percentage of longitudinal versus radial (short-axis) change in cross-sectional area (dimension) of the pericardial contour, thereby assessing the fate of the +/-5% end-systolic volume decrease. We analyzed images from 10 normal volunteers and 1 subject with congenital absence of the pericardium, obtained using a 1.5-T MR scanner. Short-axis cine loop stacks covering the entire heart were acquired, as were single four-chamber cine loops. In the short-axis and four-chamber slices, relative to midventricular end-diastolic location, end-systolic pericardial (left ventricular epicardial) displacement was observed to be radial and maximized at end systole. Longitudinal (apex to mediastinum) pericardial contour dimension change and pericardial area change on the four-chamber slice were negligible throughout the cardiac cycle. We conclude that the +/-5% end-systolic decrease in the volume encompassed by the pericardial sack is primarily accounted for by a "crescent effect" on short-axis views, manifesting as a nonisotropic radial diminution of the pericardial/epicardial contour of the left ventricle. This systolic drop in cardiac volume occurs primarily at the ventricular level and is made up during the subsequent diastole when blood crosses the pericardium in the pulmonary venous Doppler D wave during early rapid left ventricular filling.

  17. On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants.

    Science.gov (United States)

    Zarycz, M Natalia C; Provasi, Patricio F; Sauer, Stephan P A

    2015-12-28

    It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH4, NH3, H2O, SiH4, PH3, SH2, C2H2, C2H4, and C2H6. The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states.

  18. On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

    Energy Technology Data Exchange (ETDEWEB)

    Zarycz, M. Natalia C., E-mail: mnzarycz@gmail.com; Provasi, Patricio F., E-mail: patricio@unne.edu.ar [Department of Physics, University of Northeastern - CONICET, Av. Libertad 5500, Corrientes W3404AAS (Argentina); Sauer, Stephan P. A., E-mail: sauer@kiku.dk [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark)

    2015-12-28

    It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH{sub 4}, NH{sub 3}, H{sub 2}O, SiH{sub 4}, PH{sub 3}, SH{sub 2}, C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}. The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states.

  19. Approximate scheme for calculating van der Waals interactions between finite cylindrical volume elements.

    Science.gov (United States)

    Jaiswal, Ravi P; Beaudoin, Stephen P

    2012-06-05

    A successful approach to calculating van der Waals (vdW) forces between irregular bodies is to divide the bodies into small cylindrical volume elements and integrate the vdW interactions between opposing elements. In this context it has been common to use Hamaker's expression for parallel plates to approximate the vdW interactions between the opposing elements. This present study shows that Hamaker's vdW expression for parallel plates does not accurately describe the vdW interactions for co-axial cylinders having a ratio of cylinder radius to separation distance (R/D) of 10 or less. This restricts the systems that can be simulated using this technique and explicitly excludes consideration of topographical or compositional variations at the nanoscale for surfaces that are in contact or within a few nm of contact. To address this limitation, approximate analytical expressions for nonretarded vdW forces between finite cylinders in different orientations are derived and are shown to produce a high level of agreement with forces calculated using full numerical solutions of the corresponding Hamaker's equations. The expressions developed here allow accurate calculation of vdW forces in systems where particles are in contact or within a few nm of contact with surfaces and the particles and/or surfaces have heterogeneous nanoscale morphology or composition. These calculations can be performed at comparatively low computational cost compared to the full numerical solution of Hamaker's equations.

  20. Reaction rate constant of CH2O + H = HCO + H2 revisited: a combined study of direct shock tube measurement and transition state theory calculation.

    Science.gov (United States)

    Wang, Shengkai; Dames, Enoch E; Davidson, David F; Hanson, Ronald K

    2014-11-06

    The rate constant of the H-abstraction reaction of formaldehyde (CH2O) by hydrogen atoms (H), CH2O + H = H2 + HCO, has been studied behind reflected shock waves with use of a sensitive mid-IR laser absorption diagnostic for CO, over temperatures of 1304-2006 K and at pressures near 1 atm. C2H5I was used as an H atom precursor and 1,3,5-trioxane as the CH2O precursor, to generate a well-controlled CH2O/H reacting system. By designing the experiments to maintain relatively constant H atom concentrations, the current study significantly boosted the measurement sensitivity of the target reaction and suppressed the influence of interfering reactions. The measured CH2O + H rate constant can be expressed in modified Arrhenius from as kCH2O+H(1304-2006 K, 1 atm) = 1.97 × 10(11)(T/K)(1.06) exp(-3818 K/T) cm(3) mol(-1)s(-1), with uncertainty limits estimated to be +18%/-26%. A transition-state-theory (TST) calculation, using the CCSD(T)-F12/VTZ-F12 level of theory, is in good agreement with the shock tube measurement and extended the temperature range of the current study to 200-3000 K, over which a modified Arrhenius fit of the rate constant can be expressed as kCH2O+H(200-3000 K) = 5.86 × 10(3)(T/K)(3.13) exp(-762 K/T) cm(3) mol(-1)s(-1).

  1. Calculations with spectroscopic accuracy for energies, transition rates, hyperfine interaction constants, and Landé gJ-factors in nitrogen-like Kr XXX

    Science.gov (United States)

    Wang, K.; Li, S.; Jönsson, P.; Fu, N.; Dang, W.; Guo, X. L.; Chen, C. Y.; Yan, J.; Chen, Z. B.; Si, R.

    2017-01-01

    Extensive self-consistent multi-configuration Dirac-Fock (MCDF) calculations and second-order many-body perturbation theory (MBPT) calculations are performed for the lowest 272 states belonging to the 2s22p3, 2s2p4, 2p5, 2s22p23l, and 2s2p33l (l=s, p, d) configurations of N-like Kr XXX. Complete and consistent data sets of level energies, wavelengths, line strengths, oscillator strengths, lifetimes, AJ, BJ hyperfine interaction constants, Landé gJ-factors, and electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), magnetic quadrupole (M2) transition rates among all these levels are given. The present MCDF and MBPT results are compared with each other and with other available experimental and theoretical results. The mean relative difference between our two sets of level energies is only about 0.003% for these 272 levels. The accuracy of the present calculations are high enough to facilitate identification of many observed spectral lines. These accurate data can be served as benchmark for other calculations and can be useful for fusion plasma research and astrophysical applications.

  2. Finite Volume Numerical Methods for Aeroheating Rate Calculations from Infrared Thermographic Data

    Science.gov (United States)

    Daryabeigi, Kamran; Berry, Scott A.; Horvath, Thomas J.; Nowak, Robert J.

    2006-01-01

    The use of multi-dimensional finite volume heat conduction techniques for calculating aeroheating rates from measured global surface temperatures on hypersonic wind tunnel models was investigated. Both direct and inverse finite volume techniques were investigated and compared with the standard one-dimensional semi-infinite technique. Global transient surface temperatures were measured using an infrared thermographic technique on a 0.333-scale model of the Hyper-X forebody in the NASA Langley Research Center 20-Inch Mach 6 Air tunnel. In these tests the effectiveness of vortices generated via gas injection for initiating hypersonic transition on the Hyper-X forebody was investigated. An array of streamwise-orientated heating striations was generated and visualized downstream of the gas injection sites. In regions without significant spatial temperature gradients, one-dimensional techniques provided accurate aeroheating rates. In regions with sharp temperature gradients caused by striation patterns multi-dimensional heat transfer techniques were necessary to obtain more accurate heating rates. The use of the one-dimensional technique resulted in differences of 20% in the calculated heating rates compared to 2-D analysis because it did not account for lateral heat conduction in the model.

  3. Matching excluded-volume hadron-resonance gas models and perturbative QCD to lattice calculations

    Science.gov (United States)

    Albright, M.; Kapusta, J.; Young, C.

    2014-08-01

    We match three hadronic equations of state at low energy densities to a perturbatively computed equation of state of quarks and gluons at high energy densities. One of them includes all known hadrons treated as point particles, which approximates attractive interactions among hadrons. The other two include, in addition, repulsive interactions in the form of excluded volumes occupied by the hadrons. A switching function is employed to make the crossover transition from one phase to another without introducing a thermodynamic phase transition. A χ2 fit to accurate lattice calculations with temperature 100coupling and the hard core radius of protons and neutrons, which turns out to be 0.62±0.04 fm. The most physically reasonable models include the excluded-volume effect. Not only do they include the effects of attractive and repulsive interactions among hadrons, but they also achieve better agreement with lattice QCD calculations of the equation of state. The equations of state constructed in this paper do not result in a phase transition, at least not for the temperatures and baryon chemical potentials investigated. It remains to be seen how well these equations of state will represent experimental data on high-energy heavy-ion collisions when implemented in hydrodynamic simulations.

  4. Recording and Calculating Gunshot Sound—Change of the Volume in Reference to the Distance

    Science.gov (United States)

    Nikolaos, Tsiatis E.

    2010-01-01

    An experiment was conducted in an open practice ground (shooting range) regarding the recording of the sound of gunshots. Shots were fired using various types of firearms (seven pistols, five revolvers, two submachine guns, one rifle, and one shotgun) in different calibers, from several various distances with reference to the recording sources. Both, a conventional sound level meter (device) and a measurement microphone were used, having been placed in a fixed point behind the shooting line. The sound of each shot was recorded (from the device). At the same time the signal received by the microphone was transferred to a connected computer through an appropriate audio interface with a pre-amplifier. Each sound wave was stored and depicted as a wave function. After the physic-mathematical analysis of these depictions, the volume was calculated in the accepted engineering units(Decibels or dB) of Sound Pressure Level (SPL). The distances from the recording sources were 9.60 meters, 14.40 m, 19.20 m, and 38.40 m. The experiment was carried out by using the following calibers: .22 LR, 6.35 mm(.25 AUTO), 7.62 mm Tokarev(7,62×25), 7.65 mm(.32 AUTO), 9 mm Parabellum(9×19), 9 mm Short(9×17), 9 mm Makarov(9×18), .45 AUTO, .32 S&W, .38 S&W, .38 SPECIAL, .357 Magnum, 7,62 mm Kalashnikov(7,62×39) and 12 GA. Tables are given for the environmental conditions (temperature, humidity, altitude & barometric pressure), the length of the barrel of each gun, technical characteristics of the used ammunition, as well as for the volume taken from the SLM. The data for the sound intensity were collected after 168 gunshots (158 single shot & 10 bursts). According to the results, a decreasing of the volume, equivalent to the increasing of the distance, was remarked, as it was expected. Values seem to follow the Inverse square Law. For every doubling of the distance from the sound source, the sound intensity diminishes by 5.9904±0.2325 decibels (on average). In addition, we have the

  5. Volumic activities measurements and equivalent doses calculation of indoor 222Rn in Morocco

    Directory of Open Access Journals (Sweden)

    Abdelmajid Choukri

    2015-09-01

    Full Text Available Purpose: As a way of prevention, we have measured the volumic activities of indoor 222Rn and we have calculated the corresponding effective dose in some dwellings and enclosed areas in Morocco. Seasonal variation of Radon activities and Relationships between variation of these activities and some parameters such height, depth and type of construction were also established in this work.Methods: The passive time-integrated method of using a solid state nuclear track detector (LR-115 type II was employed. These films, cut in pieces of 3.4 ´ 2.5 cm2, were placed in detector holders and enclosed in heat-scaled polyethylene bags.Results: The measured volumic activities of radon vary in houses, between 31 and 136 Bq/m3 (0.55 and 2.39 mSv/year with an average value of 80 Bq/m3 (1.41 mSv/year. In enclosed work area, they vary between 60 Bq/m3 (0.38 mSv/year in an ordinary area to 1884 Bq/m3 (11.9 mSv/year at not airy underground level of 12 m. the relatively higher volumic activities of 222Rn in houses were measured in Youssoufia and khouribga towns situated in regions rich in phosphate deposits. Measurements at the geophysical observatory of Berchid show that the volumic activity of radon increases with depth, this is most probably due to decreased ventilation. Conclusion: The obtained results show that the effective dose calculated for indoor dwellings are comparable to those obtained in other regions in the word. The risks related to the volumic activities of indoor radon could be avoided by simple precautions such the continuous ventilation. The reached high value of above 1884 Bq/m3 don't present any risk for workers health in the geophysical observatory of Berchid because workers spend only a few minutes by day in the cellar to control and reregister data.

  6. Modeling Atmospheric Emissions and Calculating Mortality Rates Associated with High Volume Hydraulic Fracturing Transportation

    Science.gov (United States)

    Mathews, Alyssa

    Emissions from the combustion of fossil fuels are a growing pollution concern throughout the global community, as they have been linked to numerous health issues. The freight transportation sector is a large source of these emissions and is expected to continue growing as globalization persists. Within the US, the expanding development of the natural gas industry is helping to support many industries and leading to increased transportation. The process of High Volume Hydraulic Fracturing (HVHF) is one of the newer advanced extraction techniques that is increasing natural gas and oil reserves dramatically within the US, however the technique is very resource intensive. HVHF requires large volumes of water and sand per well, which is primarily transported by trucks in rural areas. Trucks are also used to transport waste away from HVHF well sites. This study focused on the emissions generated from the transportation of HVHF materials to remote well sites, dispersion, and subsequent health impacts. The Geospatial Intermodal Freight Transport (GIFT) model was used in this analysis within ArcGIS to identify roadways with high volume traffic and emissions. High traffic road segments were used as emissions sources to determine the atmospheric dispersion of particulate matter using AERMOD, an EPA model that calculates geographic dispersion and concentrations of pollutants. Output from AERMOD was overlaid with census data to determine which communities may be impacted by increased emissions from HVHF transport. The anticipated number of mortalities within the impacted communities was calculated, and mortality rates from these additional emissions were computed to be 1 in 10 million people for a simulated truck fleet meeting stricter 2007 emission standards, representing a best case scenario. Mortality rates due to increased truck emissions from average, in-use vehicles, which represent a mixed age truck fleet, are expected to be higher (1 death per 341,000 people annually).

  7. Uranium Mill Tailings Remedial Action Project (UMTRAP), Slick Rock, Colorado, Revision 1. Volume 1, Calculations, Final design for construction

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-09-01

    Volume one contains calculations for: embankment design--embankment material properties; Union Carbide site--bedrock contours; vicinity properties--origin of contamination; North Continent and Union Carbide sites contaminated materials--excavation quantities; and demolition debris--quantity estimate.

  8. A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral.

    Science.gov (United States)

    Aieta, Chiara; Ceotto, Michele

    2017-06-07

    This paper presents a quantum mechanical approximation to the calculation of thermal rate constants. The rate is derived from a suitable stationary phase approximation to the time integral of the thermal flux-flux correlation function. The goal is to obtain an expression that barely depends on the position of the flux operators, i.e., of the dividing surfaces, so that it can be applied also to complex systems by arbitrarily locating the dividing surfaces. The approach is tested on one and two dimensional systems where quantum effects are predominant over a wide range of temperatures. The results are quite accurate, i.e., within a few percent of the exact values for a reasonable range of dividing surface positions.

  9. Quantum instanton calculation of rate constant for CH4 + OH → CH3 + H2O reaction: torsional anharmonicity and kinetic isotope effect.

    Science.gov (United States)

    Wang, Wenji; Zhao, Yi

    2012-12-07

    Thermal rate constants for the title reaction are calculated by using the quantum instanton approximation within the full dimensional Cartesian coordinates. The results reveal that the quantum effect is remarkable for the reaction at both low and high temperatures, and the obtained rates are in good agreement with experimental measurements at high temperatures. Compared to the harmonic approximation, the torsional anharmonic effect of the internal rotation has a little influence on the rates at low temperatures, however, it enhances the rate by about 20% at 1000 K. In addition, the free energy barriers for the isotopic reactions and the temperature dependence of kinetic isotope effects are also investigated. Generally speaking, for the title reaction, the replacement of OH with OD will reduce the free energy barrier, while substituting D for H (connected to C) will increase the free energy barrier.

  10. Volume calculation of subsurface structures and traps in hydrocarbon exploration — a comparison between numerical integration and cell based models

    Directory of Open Access Journals (Sweden)

    Slavinić Petra

    2016-01-01

    Full Text Available The volume calculation of geological structures is one of the primary goals of interest when dealing with exploration or production of oil and gas in general. Most of those calculations are done using advanced software packages but still the mathematical workflow (equations has to be used and understood for the initial volume calculation process. In this paper a comparison is given between bulk volume calculations of geological structures using trapezoidal and Simpson’s rule and the ones obtained from cell-based models. Comparison in calculation is illustrated with four models; dome ‐ 1/2 of ball/sphere, elongated anticline, stratigraphic trap due to lateral facies change and faulted anticline trap. Results show that Simpson’s and trapezoidal rules give a very accurate volume calculation even with a few inputs(isopach areas ‐ ordinates. A test of cell based model volume calculation precision against grid resolution is presented for various cases. For high accuracy, less the 1% of an error from coarsening, a cell area has to be 0.0008% of the reservoir area

  11. Thermal rate constants for the O(3P) + HBr and O(3P) + DBr reactions: transition-state theory and quantum mechanical calculations.

    Science.gov (United States)

    de Oliveira-Filho, Antonio G S; Ornellas, Fernando R; Peterson, Kirk A; Mielke, Steven L

    2013-12-05

    The O((3)P) + HBr → OH + Br and O((3)P) + DBr → OD + Br reactions are studied on a recent high-quality ab initio-based potential energy surface. Thermal rate constants over the 200-1000 K temperature range, calculated using variational transition-state theory (VTST) with the small-curvature tunneling (SCT) correction and quantum mechanical methods with the J-shifting approximation (QM/JS) for zero total angular momentum (J = 0), are reported. These results are compared to the available experimental data, which lie in the ranges of 221-554 and 295-419 K for O + HBr and O + DBr, respectively. The rate constants, in cm(3) molecule(-1) s(-1) and at 298 K, for the O + HBr reaction are 3.66 × 10(-14) for VTST, 3.80 × 10(-14) for QM/JS, and 3.66 × 10(-14) for the average of eight experimental measurements.

  12. Electromagnetic corrections to pseudoscalar decay constants

    Energy Technology Data Exchange (ETDEWEB)

    Glaessle, Benjamin Simon

    2017-03-06

    First principles Lattice quantum chromodynamics (LQCD) calculations enable the determination of low energy hadronic amplitudes. Precision LQCD calculations with relative errors smaller than approximately 1% require the inclusion of electromagnetic effects. We demonstrate that including (quenched) quantum electrodynamics effects in the LQCD calculation effects the values obtained for pseudoscalar decay constants in the per mille range. The importance of systematic effects, including finite volume effects and the charge dependence of renormalization and improvement coefficients, is highlighted.

  13. A finite-volume numerical method to calculate fluid forces and rotordynamic coefficients in seals

    Science.gov (United States)

    Athavale, M. M.; Przekwas, A. J.; Hendricks, R. C.

    1992-01-01

    A numerical method to calculate rotordynamic coefficients of seals is presented. The flow in a seal is solved by using a finite-volume formulation of the full Navier-Stokes equations with appropriate turbulence models. The seal rotor is perturbed along a diameter such that the position of the rotor is a sinusoidal function of time. The resulting flow domain changes with time, and the time-dependent flow in the seal is solved using a space conserving moving grid formulation. The time-varying fluid pressure reaction forces are then linked with the rotor center displacement, velocity and acceleration to yield the rotordynamic coefficients. Results for an annular seal are presented, and compared with experimental data and other more simplified numerical methods.

  14. On the accuracy of calculation of the mean residence time of drug in the body and its volumes of distribution based on the assumption of central elimination.

    Science.gov (United States)

    Berezhkovskiy, Leonid M

    2016-01-01

    1. The steady state and terminal volumes of distribution, as well as the mean residence time of drug in the body (Vss, Vβ, and MRT) are the common pharmacokinetic parameters calculated using the drug plasma concentration-time profile (Cp(t)) following intravenous (iv bolus or constant rate infusion) drug administration. 2. These traditional calculations are valid for the linear pharmacokinetic system with central elimination (i.e. elimination rate being proportional to drug concentration in plasma). The assumption of central elimination is not valid in general, so that the accuracy of the traditional calculation of these parameters is uncertain. 3. The comparison of Vss, Vβ, and MRT calculated by the derived exact equations and by the commonly used ones was made considering a physiological model. It turned out that the difference between the exact and simplified calculations does not exceed 2%. 4. Thus the calculations of Vss, Vβ, and MRT, which are based on the assumption of central elimination, may be considered as quite accurate. Consequently it can be used as the standard for comparisons with kinetic and in silico models.

  15. Uncertainty in measurement: a review of monte carlo simulation using microsoft excel for the calculation of uncertainties through functional relationships, including uncertainties in empirically derived constants.

    Science.gov (United States)

    Farrance, Ian; Frenkel, Robert

    2014-02-01

    The Guide to the Expression of Uncertainty in Measurement (usually referred to as the GUM) provides the basic framework for evaluating uncertainty in measurement. The GUM however does not always provide clearly identifiable procedures suitable for medical laboratory applications, particularly when internal quality control (IQC) is used to derive most of the uncertainty estimates. The GUM modelling approach requires advanced mathematical skills for many of its procedures, but Monte Carlo simulation (MCS) can be used as an alternative for many medical laboratory applications. In particular, calculations for determining how uncertainties in the input quantities to a functional relationship propagate through to the output can be accomplished using a readily available spreadsheet such as Microsoft Excel. The MCS procedure uses algorithmically generated pseudo-random numbers which are then forced to follow a prescribed probability distribution. When IQC data provide the uncertainty estimates the normal (Gaussian) distribution is generally considered appropriate, but MCS is by no means restricted to this particular case. With input variations simulated by random numbers, the functional relationship then provides the corresponding variations in the output in a manner which also provides its probability distribution. The MCS procedure thus provides output uncertainty estimates without the need for the differential equations associated with GUM modelling. The aim of this article is to demonstrate the ease with which Microsoft Excel (or a similar spreadsheet) can be used to provide an uncertainty estimate for measurands derived through a functional relationship. In addition, we also consider the relatively common situation where an empirically derived formula includes one or more 'constants', each of which has an empirically derived numerical value. Such empirically derived 'constants' must also have associated uncertainties which propagate through the functional relationship

  16. Calculated rate constants of the chemical reactions involving the main byproducts SO2F, SOF2, SO2F2 of SF6 decomposition in power equipment

    Science.gov (United States)

    Fu, Yuwei; Rong, Mingzhe; Yang, Kang; Yang, Aijun; Wang, Xiaohua; Gao, Qingqing; Liu, Dingxin; Murphy, Anthony B.

    2016-04-01

    SF6 is widely used in electrical equipment as an insulating gas. In the presence of an electric arc, partial discharge (PD) or spark, SF6 dissociation products (such as SF2, SF3 and SF4) react with the unavoidable gas impurities (such as water vapor and oxygen), electrodes and surrounding solid insulation materials, forming several toxic and corrosive byproducts. The main stable decomposition products are SO2F, SO2F2 and SOF2, which have been confirmed experimentally to have a direct relationship with discharge faults, and are thus expected to be useful in the fault diagnosis of power equipment. Various studies have been performed of the main SF6 decomposition species and their concentrations under different types of faults. However, most of the experiments focused on the qualitative analysis of the relationship between the stable products and discharge faults. Although some theoretical research on the formation of main SF6 derivatives have been carried out using chemical kinetics models, the basic data (chemical reactions and their rate constants) adopted in the model are inaccurate and incomplete. The complex chemical reactions of SF6 with the impurities are ignored in most cases. The rate constants of some reactions obtained at ambient temperature or in a narrow temperature range are adopted in the models over a far greater range, for example up to 12 000 K, due to the difficulty in the experimental measurement and theoretical estimation of rate coefficients, particularly at high temperatures. Therefore, improved theoretical models require not only the consideration of additional SF6 decomposition reactions in the presence of impurities but also on improved values of rate constants. This paper is devoted to determining the rate constants of the chemical reactions relating to the main byproducts of SF6 decomposition in SF6 gas-insulated power equipment: SO2F, SOF2 and SO2F2. Quantum chemistry calculations with density functional theory, conventional

  17. Effects of ambient temperature and oxygen concentration on diesel spray combustion using a single-nozzle injector in a constant volume combustion chamber

    KAUST Repository

    Jing, Wei

    2013-09-02

    This work investigates the effects of ambient conditions on diesel spray combustion in an optically accessible, constant volume chamber using a single-nozzle fuel injector. The ambient O2 concentration was varied between five discrete values from 10% to 21% and three different ambient temperatures (800 K, 1000 K, and 1200 K). These conditions simulate different exhaust gas recirculation (EGR) levels and ambient temperatures in diesel engines. Both conventional diesel combustion and low temperature combustion (LTC) modes were observed under these conditions. A transient analysis and a quasi-steady state analysis are employed in this article. The transient analysis focuses on the flame development from beginning to the end, illustrating how the flame structure changes during this process; the quasi-steady state analysis focuses on the stable flame structure. The transient analysis was conducted using high-speed imaging of both OH* chemiluminescence and natural luminosity (NL). In addition, three different images were acquired using an ICCD camera, corresponding to OH* chemiluminescence, narrow-band flame emission at 430 nm (Band A) and at 470 nm (Band B), and were used to investigate the quasi-steady state combustion process. From the transient analysis, it was found that the NL signal becomes stronger and confined to narrow regions when the temperature and O2 concentration increase during the development of flame. The OH* intensity is much lower for the 10% ambient O2 and 800 K conditions compared to the higher temperatures and O2 levels. This implies the occurrence of LTC under these conditions. Results from the quasi-steady combustion stage indicate that high-temperature reactions effectively oxidize the soot in the downstream locations where only OH* signal is observed. In addition, an area was calculated for each spectral region, and results show that the area of Band A and Band B emissions in these images is larger than the area of OH* emissions at the lower O2

  18. Calculation of generalized spin stiffness constant of strongly correlated doped quantum antiferromagnet on two-dimensional lattice and it’s application to effective exchange constant for semi-itinerant systems

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharjee, Suraka, E-mail: surakabhatta@bose.res.in; Chaudhury, Ranjan, E-mail: ranjan@bose.res.in

    2016-11-01

    The generalized spin stiffness constant for a doped quantum antiferromagnet has been investigated both analytically and numerically as a function of doping concentration at zero temperature, based on the strongly correlated t-J model on two-dimensional square lattice. The nature of the theoretical dependence of the stiffness constant on doping shows a striking similarity with that of the effective exchange constant, obtained from the combination of other theoretical and experimental techniques in the low doping region. This correspondence once again establishes that spin stiffness can very well play the role of an effective exchange constant even in the strongly correlated semi-itinerant systems. Our theoretical plot of the stiffness constant against doping concentration in the whole doping region exhibits the various characteristic features like a possible crossover in the higher doping regions and persistence of short range ordering even for very high doping with the complete vanishing of spin stiffness occurring only close to 100% doping. Our results receive very good support from various other theoretical approaches and also brings out a few limitations of some of them. Our detailed analysis highlights the crucial importance of the study of spin stiffness for the proper understanding of magnetic correlations in a semi-itinerant magnetic system described by the strongly correlated t-J model. Moreover, our basic formalism can also be utilized for determination of the effective exchange constant and magnetic correlations for itinerant magnetic systems, in general in a novel way.

  19. Accurate quantum mechanical calculations of differential and integral cross sections and rate constant for the O+OH reaction using an ab initio potential energy surface.

    Science.gov (United States)

    Lin, Shi Ying; Guo, Hua; Honvault, Pascal; Xu, Chuanxiu; Xie, Daiqian

    2008-01-07

    The authors report accurate quantum mechanical studies of the O+OH reaction on the improved Xu-Xie-Zhang-Lin-Guo potential energy surface. The differential cross section was obtained at several energies near the reaction threshold using a time-independent method. The dominant forward and backward peaks in the angular distribution are consistent with a complex-forming mechanism, which is also confirmed by the extensive rotational excitation in the O2 product. However, the asymmetry of these peaks suggests a significant nonstatistical component. The initial state (upsilon i=0, j i=0) specified integral cross section, which was calculated up to 1.15 eV of collision energy using the Chebyshev wave packet method, shows no energy threshold and decreases with the increasing collision energy, consistent with the barrierless nature of the reaction. The resulting rate constant exhibits a negative temperature dependence for T>100 K and decays as the temperature is lowered, in qualitative agreement with available experimental data.

  20. Conformational study of L-methionine and L-cysteine derivatives through quantum chemical calculations and 3JHH coupling constant analyses.

    Science.gov (United States)

    Silva, Weslley G D P; Braga, Carolyne B; Rittner, Roberto

    2017-01-01

    The understanding of the conformational behavior of amino acids and their derivatives is a challenging task. Here, the conformational analysis of esterified and N-acetylated derivatives of L-methionine and L-cysteine using a combination of 1H NMR and electronic structure calculations is reported. The geometries and energies of the most stable conformers in isolated phase and taking into account the implicit solvent effects, according to the integral equation formalism polarizable continuum model (IEF-PCM), were obtained at the ωB97X-D/aug-cc-pVTZ level. The conformational preferences of the compounds in solution were also determined from experimental and theoretical 3JHH coupling constants analysis in different aprotic solvents. The results showed that the conformational stability of the esterified derivatives is not very sensitive to solvent effects, whereas the conformational equilibrium of the N-acetylated derivatives changes in the presence of solvent. According to the natural bond orbital (NBO), quantum theory of atoms in molecules (QTAIM) and noncovalent interactions (NCI) methodologies, the conformational preferences for the compounds are not dictated by intramolecular hydrogen bonding, but by a joint contribution of hyperconjugative and steric effects.

  1. Coupled perturbed HF/KS calculation of the dielectric constant of crystalline systems. The case of six members of the garnet family

    Science.gov (United States)

    Meyer, A.; Ferrero, M.; Valenzano, L.; Zicovich-Wilson, C. M.; Orlando, R.; Dovesi, R.

    2012-12-01

    The dielectric constant ɛ of pyrope (Mg3Al2(SiO4)3), grossular (Ca3Al2(SiO4)3), andradite (Ca3Fe2(SiO4)3), almandine (Fe3Al2(SiO4)3), spessartine (Mn3Al2(SiO4)3), and uvarovite (Ca3Cr2(SiO4)3) garnets has been calculated by using for the first time the CPHF/KS computational scheme recently implemented in the CRYSTAL code. Garnets are large unit cell (80 atoms in the primitive cell) highly symmetric (Ia3¯d space group) compounds of relevant importance in geology and mineralogy. An all electron Gaussian type Basis Set has been adopted for all atoms. For the four compound containing transition metal atoms the unrestricted formulation of the HF or KS equations has been used. The Basis Set effect has been explored, as well as the influence of the adopted functional, that ranges from LDA to HF through GGA (PBE) and hybrids PBE0 and B3LYP.

  2. An initial abstraction and constant loss model, and methods for estimating unit hydrographs, peak streamflows, and flood volumes for urban basins in Missouri

    Science.gov (United States)

    Huizinga, Richard J.

    2014-01-01

    Streamflow data, basin characteristics, and rainfall data from 39 streamflow-gaging stations for urban areas in and adjacent to Missouri were used by the U.S. Geological Survey in cooperation with the Metropolitan Sewer District of St. Louis to develop an initial abstraction and constant loss model (a time-distributed basin-loss model) and a gamma unit hydrograph (GUH) for urban areas in Missouri. Study-specific methods to determine peak streamflow and flood volume for a given rainfall event also were developed.

  3. Radiation Field Characterization for the AFRRI TRIGA Reactor. Volume I. Baseline Measurements and Evaluation of Calculational Data.

    Science.gov (United States)

    1981-06-01

    CHARACTERIZATION FOR THE AFRRI TRIGA REACTOR Volume I-Baseline Measurements and Evaluation rŘ of Calculational Data Science Applications, Incorporated...KEY WORDS (Cmehum an re. aide af necoew and Id..ad& by’ Week mbahe) Radiation Neutron-Spectral Mieasurements Samma-Ray Reactor AFRRI TRIGA 26...Characteristics . . . . . . . .. 10 2. Threshold Foil Activations for AFRRI TRIGA ..... .. 18 3. Calculated and Measured Neutron Flux Per Group Per Kilowatt

  4. Considerations on the calculation of volumes in two planning systems; Consideraciones sobre el calculo de volumenes en dos sistemas de planificacion

    Energy Technology Data Exchange (ETDEWEB)

    Gomez-Tenedor Alonso, S.; Rincon Perez, M.; Penedo Cobos, J. M.; Garcia Castejon, M. A.

    2011-07-01

    The discrepancies in the calculation of the same volume between different planning systems impact on dose-volume histograms and therefore clinical assessment of dosimetry for patients. The transfer, by a local network, tomographic study (CT) and contours of critical organs of patients, between our two planning systems allows us to evaluate the calculation of identical volumes.

  5. A stable algorithm for calculating phase equilibria with capillarity at specified moles, volume and temperature using a dynamic model

    KAUST Repository

    Kou, Jisheng

    2017-09-30

    Capillary pressure can significantly affect the phase properties and flow of liquid-gas fluids in porous media, and thus, the phase equilibrium calculation incorporating capillary pressure is crucial to simulate such problems accurately. Recently, the phase equilibrium calculation at specified moles, volume and temperature (NVT-flash) becomes an attractive issue. In this paper, capillarity is incorporated into the phase equilibrium calculation at specified moles, volume and temperature. A dynamical model for such problem is developed for the first time by using the laws of thermodynamics and Onsager\\'s reciprocal principle. This model consists of the evolutionary equations for moles and volume, and it can characterize the evolutionary process from a non-equilibrium state to an equilibrium state in the presence of capillarity effect at specified moles, volume and temperature. The phase equilibrium equations are naturally derived. To simulate the proposed dynamical model efficiently, we adopt the convex-concave splitting of the total Helmholtz energy, and propose a thermodynamically stable numerical algorithm, which is proved to preserve the second law of thermodynamics at the discrete level. Using the thermodynamical relations, we derive a phase stability condition with capillarity effect at specified moles, volume and temperature. Moreover, we propose a stable numerical algorithm for the phase stability testing, which can provide the feasible initial conditions. The performance of the proposed methods in predicting phase properties under capillarity effect is demonstrated on various cases of pure substance and mixture systems.

  6. Uranium Mill Tailings Remedial Action Project (UMTRAP), Slick Rock, Colorado, Revision 1, Volume 4. Calculations, Final design for construction

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-09-01

    Volume four contains calculations for: Borrow areas--site evaluation; temporary facilities--material quantities; embankment quantities--excavation and cover materials; Burro Canyon site excavation quantities--rippable and unrippable materials; site restoration--earthwork quantities and seeding; and bid schedule quantities and material balance.

  7. A comparison of flexural properties of aramid reinforced pultrusions having constant fiber volume and varied matrices, pretreatments, and postcures

    Science.gov (United States)

    Wilson, Maywood L.; Johnson, Gary S.; Macconochie, Ian O.

    1986-01-01

    Aramid reinforcement composite materials of equal fiber volume having varied polymer thermoset matrices have been pultruded and flexurally tested to failure. The objective was to improve flexural properties of aramid reinforced pultrusions. Pultrusions of both sized and unsized aramid fiber with four different resin systems were compared to determine the effects of sizing compounds and post-thermal treatments on the flexural strength as an indication of fiber wettability and fiber-to-resin interface bonding. Improvements in flexural strength as the result of pretreatments with sizing solutions used in this study were marginal. The most significant improvements in flexural properties were the results of postcuring. Overall improvements ranged from a low 39,647 Psi(273 Mpa) to a high of 80,390 Psi(554 Mpa), or 103 percent. The fact that post-thermal treatments improved the flexural properties of the four pultrusions indicates that a full cure did not occur in either resin system during the pultrusion process. The increased flexural strengths of the polyester and vinyl ester pultrusions were the most surprising. Based on data presented, the most promising resin system of the four examined (VE 8300, Aropol 7430, Epon 9302, and Epon 9310) for Kevlar reinforced pultrusion is Epon 9310 epoxy.

  8. Table 45. H2 16O (H16OH): Force constants of the Potential Energy Function (PEF) CVRQD calculated at its minimum (CVRQD: composite surface including core, valence, relativistic, quantum electrodynamics, and diagonal Born-Oppenheimer (adiabatic) correction surfaces)

    Science.gov (United States)

    Guelachvili, G.; Picqué, N.

    This document is part of Subvolume C 'Non-linear Triatomic Molecules', Part 1 'H2O (HOH)', Part α'H2 16O (H16OH)' of Volume 20 'Molecular Constants Mostly from Infrared Spectroscopy' of Landolt-Börnstein - Group II 'Molecules and Radicals'.

  9. 40 CFR 80.1407 - How are the Renewable Volume Obligations calculated?

    Science.gov (United States)

    2010-07-01

    ... biofuel for calendar year i, determined by EPA pursuant to § 80.1405, in percent. GVi = The non-renewable..., in gallons. DVi = The non-renewable diesel volume, determined in accordance with paragraphs (d), (e..., determined by EPA pursuant to § 80.1405, in percent. GVi = The non-renewable gasoline volume, determined in...

  10. 40 CFR 80.1107 - How is the Renewable Volume Obligation calculated?

    Science.gov (United States)

    2010-07-01

    ... non-renewable gasoline volume, determined in accordance with paragraphs (b), (c), and (d) of this... = Renewable fuel deficit carryover from the previous year, per § 80.1127(b), in gallons. (b) The non-renewable... 40 Protection of Environment 16 2010-07-01 2010-07-01 false How is the Renewable Volume Obligation...

  11. Integrated system for production of neutronics and photonics calculational constants. Volume 5, revision 1. CLYDE, a code for the production of calculational constants from nuclear data. [For CDC-7600 computer

    Energy Technology Data Exchange (ETDEWEB)

    Doyas, R.J.; Dye, R.E.; Howerton, R.J.; Perkins, S.T.

    1975-09-30

    In the past several years, the Lawrence Livermore Laboratory CLYDE code has been revised and modified extensively. Processing of photon production was incorporated, and the processing of higher-order S/sub n/ transfer matrices was speeded up. A Doppler broadening option was also added. On the other hand, the CLYDE routines that process evaporation models and cumulative probability distributions (I = 5,6) were deleted. The processing of Monte Carlo output was spun off into a separate code, CTART. 3 figures, 11 tables. (auth)

  12. An energy stable evolution method for simulating two-phase equilibria of multi-component fluids at constant moles, volume and temperature

    KAUST Repository

    Kou, Jisheng

    2016-02-25

    In this paper, we propose an energy-stable evolution method for the calculation of the phase equilibria under given volume, temperature, and moles (VT-flash). An evolution model for describing the dynamics of two-phase fluid system is based on Fick’s law of diffusion for multi-component fluids and the Peng-Robinson equation of state. The mobility is obtained from diffusion coefficients by relating the gradient of chemical potential to the gradient of molar density. The evolution equation for moles of each component is derived using the discretization of diffusion equations, while the volume evolution equation is constructed based on the mechanical mechanism and the Peng-Robinson equation of state. It is proven that the proposed evolution system can well model the VT-flash problem, and moreover, it possesses the property of total energy decay. By using the Euler time scheme to discretize this evolution system, we develop an energy stable algorithm with an adaptive choice strategy of time steps, which allows us to calculate the suitable time step size to guarantee the physical properties of moles and volumes, including positivity, maximum limits, and correct definition of the Helmhotz free energy function. The proposed evolution method is also proven to be energy-stable under the proposed time step choice. Numerical examples are tested to demonstrate efficiency and robustness of the proposed method.

  13. Application of the sodium dilution principle to calculate extracellular fluid volume changes in horses during dehydration and rehydration.

    Science.gov (United States)

    Fielding, C Langdon; Magdesian, K Gary; Carlson, Gary P; Rhodes, Diane M; Ruby, Rebecca E

    2008-11-01

    To apply the principle of sodium dilution to calculate the changes in the extracellular fluid (ECF) volume (ECFV) and intracellular fluid volume (ICFV) that occur during dehydration and rehydration in horses. 8 healthy horses of various breeds. Horses were dehydrated over 4 hours by withholding water and administering furosemide. Saline (0.9% NaCl) solution was administered IV during the next 2 hours (20 mL/kg/h; total 40 mL/kg). Horses were monitored for an additional hour following IV fluid administration. Initial ECFV was determined by use of multifrequency bioelectrical impedance analysis, and serum sodium concentration was used to calculate total ECF sodium content. Sodium and fluid volume losses were monitored and calculated throughout the study and used to estimate changes in ECFV and ICFV during fluid balance alterations. Changes during dehydration and rehydration primarily occurred in the ECFV. The sodium dilution principle estimated an overexpansion of the ECFV beyond the volume of fluid administered, indicating a small contraction of the ICFV in response to fluid administration. Serum and urinary electrolyte changes were recorded and were consistent with those of previous reports. The sodium dilution principle provided a simple method that can be used to estimate the changes in ECFV and ICFV that occur during fluid administration. Results suggested an overexpansion of the ECFV in response to IV saline solution administration. The sodium dilution principle requires further validation in healthy and clinically ill horses, which could provide clinical applications similar to those in other species.

  14. Calculation of Lung Cancer Volume of Target Based on Thorax Computed Tomography Images using Active Contour Segmentation Method for Treatment Planning System

    Science.gov (United States)

    Patra Yosandha, Fiet; Adi, Kusworo; Edi Widodo, Catur

    2017-06-01

    In this research, calculation process of the lung cancer volume of target based on computed tomography (CT) thorax images was done. Volume of the target calculation was done in purpose to treatment planning system in radiotherapy. The calculation of the target volume consists of gross tumor volume (GTV), clinical target volume (CTV), planning target volume (PTV) and organs at risk (OAR). The calculation of the target volume was done by adding the target area on each slices and then multiply the result with the slice thickness. Calculations of area using of digital image processing techniques with active contour segmentation method. This segmentation for contouring to obtain the target volume. The calculation of volume produced on each of the targets is 577.2 cm3 for GTV, 769.9 cm3 for CTV, 877.8 cm3 for PTV, 618.7 cm3 for OAR 1, 1,162 cm3 for OAR 2 right, and 1,597 cm3 for OAR 2 left. These values indicate that the image processing techniques developed can be implemented to calculate the lung cancer target volume based on CT thorax images. This research expected to help doctors and medical physicists in determining and contouring the target volume quickly and precisely.

  15. Calculation of the rockfall scar volume distribution using a Terrestrial Laser Scanner in the Montsec Area (Eastern Pyrenees, Spain)

    Science.gov (United States)

    Domènech, Guillem; Mavrouli, Olga; Corominas, Jordi; Abellán, Antonio

    2014-05-01

    Magnitude-frequency relations are a key issue when evaluating the rockfall hazard. It is a common practice to calculate them using databases of past events. However, in some cases, they are not available or complete. Alternatively, the analysis of the scar volume distribution on the wall face provides useful information on the slope's rockfall activity. The Montsec range, located in the Eastern Pyrenees, Spain, is a limestone cliff from upper cretaceous. In some parts, clear evidences of rockfall activities are present: Large recent rockfall scars are distinguished by their orange colour in comparison with grey non active surfaces on the slope face. To identify the scars and analyse their volume distribution, a methodology has been carried out (Santana et al. 2011) which is based on the elaboration of data from a high resolution Digital Elevation Model (DEM) obtained with Terrestrial Laser Scanner (TLS). This methodology requires a point cloud of the slope and it includes the following steps: a) identification of discontinuity sets b) generation of discontinuity surfaces c) calculation of areas of the exposed discontinuity surfaces and rockfall scar heights, and d) calculation of the rockfall scar volume distribution. Three discontinuity sets were identified on the point cloud. To generate the discontinuity surfaces, SEFL software was used. The input data for accepting that two neighbouring points of the point cloud belong to the same surface, was a minimum spacing of 0.4m. The resulting planes were visually checked. Assuming that the discontinuities of set 1 preserve the basal shape of the rockfall scars and the altitude is parallel to the discontinuities of set 2, the volume can be calculated as the product of the area of surfaces of set 1 with the length of the surfaces of set 2 using the afore mentioned SEFL software. Areas were found to follow a Lognormal distribution and lengths a Pearson6 one. The volume calculation was then made probabilistically by means

  16. Monte Carlo calculations of coincidence-summing corrections for volume sources in gamma-ray spectrometry with Ge detectors

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Torano, Eduardo [Laboratorio de Metrologia de Radiaciones Ionizantes, CIEMAT, Avda Complutense 22, 28040, Madrid (Spain)]. E-mail: E.garciatorano@ciemat.es; Pozuelo, Milagros [Laboratorio de Radiactividad Ambiental, DIAE, CIEMAT (Spain); Salvat, Francesc [Facultat de Fisica (ECM), Universitat de Barcelona, Diagonal 647, 08028, Barcelona (Spain)

    2005-06-01

    A Monte Carlo simulation approach to solve the problem of measuring volume sources in gamma-ray spectrometry is described. The simulation package PENELOPE, with a cylindrical geometry tool was used to model two measurement systems and to calculate the detection efficiency for volume sources of {gamma} emitters affected by coincidence-summing effects. {gamma}-Ray spectra and experimental detection efficiencies from multi-{gamma} emitting nuclides as {sup 60}Co, {sup 88}Y, {sup 134}Cs, {sup 152}Eu and {sup 166m}Ho are compared to the simulation results.

  17. A new formula for calculating standard liver volume for living donor liver transplantation without using body weight.

    Science.gov (United States)

    Kokudo, Takashi; Hasegawa, Kiyoshi; Uldry, Emilie; Matsuyama, Yutaka; Kaneko, Junichi; Akamatsu, Nobuhisa; Aoki, Taku; Sakamoto, Yoshihiro; Demartines, Nicolas; Sugawara, Yasuhiko; Kokudo, Norihiro; Halkic, Nermin

    2015-10-01

    The standard liver volume (SLV) is widely used in liver surgery, especially for living donor liver transplantation (LDLT). All the reported formulas for SLV use body surface area or body weight, which can be influenced strongly by the general condition of the patient. We analyzed the liver volumes of 180 Japanese donor candidates and 160 Swiss patients with normal livers to develop a new formula. The dataset was randomly divided into two subsets, the test and validation sample, stratified by race. The new formula was validated using 50 LDLT recipients. Without using body weight-related variables, age, thoracic width measured using computed tomography, and race independently predicted the total liver volume (TLV). A new formula: 203.3-(3.61×age)+(58.7×thoracic width)-(463.7×race [1=Asian, 0=Caucasian]), most accurately predicted the TLV in the validation dataset as compared with any other formulas. The graft volume for LDLT was correlated with the postoperative prothrombin time, and the graft volume/SLV ratio calculated using the new formula was significantly better correlated with the postoperative prothrombin time than the graft volume/SLV ratio calculated using the other formulas or the graft volume/body weight ratio. The new formula derived using the age, thoracic width and race predicted both the TLV in the healthy patient group and the SLV in LDLT recipients more accurately than any other previously reported formulas. Copyright © 2015 European Association for the Study of the Liver. Published by Elsevier B.V. All rights reserved.

  18. Project W-320, 241-C-106 sluicing: Piping calculations. Volume 8

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, J.W.

    1998-07-24

    This supporting document has been prepared to make the FDNW calculations for Project W-320 readily retrievable. The objective of this calculation is to perform the hydraulic analysis on the slurry line and the supernate line for W-320. This calculation will use the As-Built conditions of the slurry line and the supernate line. Booster Pump Curves vs System Curves shall be generated for the supernate system and the slurry system.

  19. 3D Pathology Volumetric Technique: A Method for Calculating Breast Tumour Volume from Whole-Mount Serial Section Images

    Directory of Open Access Journals (Sweden)

    G. M. Clarke

    2012-01-01

    Full Text Available Tumour size, most commonly measured by maximum linear extent, remains a strong predictor of survival in breast cancer. Tumour volume, proportional to the number of tumour cells, may be a more accurate surrogate for size. We describe a novel “3D pathology volumetric technique” for lumpectomies and compare it with 2D measurements. Volume renderings and total tumour volume are computed from digitized whole-mount serial sections using custom software tools. Results are presented for two lumpectomy specimens selected for tumour features which may challenge accurate measurement of tumour burden with conventional, sampling-based pathology: (1 an infiltrative pattern admixed with normal breast elements; (2 a localized invasive mass separated from the in situ component by benign tissue. Spatial relationships between key features (tumour foci, close or involved margins are clearly visualized in volume renderings. Invasive tumour burden can be underestimated using conventional pathology, compared to the volumetric technique (infiltrative pattern: 30% underestimation; localized mass: 3% underestimation for invasive tumour, 44% for in situ component. Tumour volume approximated from 2D measurements (i.e., maximum linear extent, assuming elliptical geometry, was seen to overestimate volume compared to the 3D volumetric calculation (by a factor of 7x for the infiltrative pattern; 1.5x for the localized invasive mass.

  20. Large-volume constant-concentration sampling technique coupling with surface-enhanced Raman spectroscopy for rapid on-site gas analysis.

    Science.gov (United States)

    Zhang, Zhuomin; Zhan, Yisen; Huang, Yichun; Li, Gongke

    2017-08-05

    In this work, a portable large-volume constant-concentration (LVCC) sampling technique coupling with surface-enhanced Raman spectroscopy (SERS) was developed for the rapid on-site gas analysis based on suitable derivatization methods. LVCC sampling technique mainly consisted of a specially designed sampling cell including the rigid sample container and flexible sampling bag, and an absorption-derivatization module with a portable pump and a gas flowmeter. LVCC sampling technique allowed large, alterable and well-controlled sampling volume, which kept the concentration of gas target in headspace phase constant during the entire sampling process and made the sampling result more representative. Moreover, absorption and derivatization of gas target during LVCC sampling process were efficiently merged in one step using bromine-thiourea and OPA-NH4+ strategy for ethylene and SO2 respectively, which made LVCC sampling technique conveniently adapted to consequent SERS analysis. Finally, a new LVCC sampling-SERS method was developed and successfully applied for rapid analysis of trace ethylene and SO2 from fruits. It was satisfied that trace ethylene and SO2 from real fruit samples could be actually and accurately quantified by this method. The minor concentration fluctuations of ethylene and SO2 during the entire LVCC sampling process were proved to be samples were achieved in range of 95.0-101% and 97.0-104% respectively. It is expected that portable LVCC sampling technique would pave the way for rapid on-site analysis of accurate concentrations of trace gas targets from real samples by SERS. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Project W-320, 241-C-106 sluicing HVAC calculations, Volume 4

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, J.W.

    1998-07-30

    This supporting document has been prepared to make the FDNW calculations for Project W-320, readily retrievable. The report contains the following design calculations: Cooling load in pump pit 241-AY-102; Pressure relief seal loop design; Process building piping stress analysis; Exhaust skid maximum allowable leakage criteria; and Recirculation heat, N509 duct requirements.

  2. Effect of Temperature on Acidity and Hydration Equilibrium Constants of Delphinidin-3-O- and Cyanidin-3-O-sambubioside Calculated from Uni- and Multiwavelength Spectroscopic Data.

    Science.gov (United States)

    Vidot, Kévin; Achir, Nawel; Mertz, Christian; Sinela, André; Rawat, Nadirah; Prades, Alexia; Dangles, Olivier; Fulcrand, Hélène; Dornier, Manuel

    2016-05-25

    Delphinidin-3-O-sambubioside and cyanidin-3-O-sambubioside are the main anthocyanins of Hibiscus sabdariffa calyces, traditionally used to make a bright red beverage by decoction in water. At natural pH, these anthocyanins are mainly in their flavylium form (red) in equilibrium with the quinonoid base (purple) and the hemiketal (colorless). For the first time, their acidity and hydration equilibrium constants were obtained from a pH-jump method followed by UV-vis spectroscopy as a function of temperature from 4 to 37 °C. Equilibrium constant determination was also performed by multivariate curve resolution (MCR). Acidity and hydration constants of cyanidin-3-O-sambubioside at 25 °C were 4.12 × 10(-5) and 7.74 × 10(-4), respectively, and were significantly higher for delphinidin-3-O-sambubioside (4.95 × 10(-5) and 1.21 × 10(-3), respectively). MCR enabled the obtaining of concentration and spectrum of each form but led to overestimated values for the equilibrium constants. However, both methods showed that formations of the quinonoid base and hemiketal were endothermic reactions. Equilibrium constants of anthocyanins in the hibiscus extract showed comparable values as for the isolated anthocyanins.

  3. Quasiclassical Trajectory Calculations of the Rate Constant of the OH + HBr → Br + H2O Reaction Using a Full-Dimensional Ab Initio Potential Energy Surface Over the Temperature Range 5 to 500 K.

    Science.gov (United States)

    de Oliveira-Filho, Antonio G S; Ornellas, Fernando R; Bowman, Joel M

    2014-02-20

    We report a permutationally invariant, ab initio potential energy surface (PES) for the OH + HBr → Br + H2O reaction. The PES is a fit to roughly 26 000 spin-free UCCSD(T)/cc-pVDZ-F12a energies and has no classical barrier to reaction. It is used in quasiclassical trajectory calculations with a focus on the thermal rate constant, k(T), over the temperature range 5 to 500 K. Comparisons with available experimental data over the temperature range 23 to 416 K are made using three approaches to treat the OH rotational and associated electronic partition function. All display an inverse temperature dependence of k(T) below roughly 160 K and a nearly constant temperature dependence above 160 K, in agreement with experiment. The calculated rate constant with no treatment of spin-orbit coupling is overall in the best agreement with experiment, being (probably fortuitously) within 20% of it.

  4. Fluorescence exclusion: A simple versatile technique to calculate cell volumes and local heights (Conference Presentation)

    Science.gov (United States)

    Thouvenin, Olivier; Fink, Mathias; Boccara, A. Claude

    2017-02-01

    Understanding volume regulation during mitosis is technically challenging. Indeed, a very sensitive non invasive imaging over time scales ranging from seconds to hours and over large fields is required. Therefore, Quantitative Phase Imaging (QPI) would be a perfect tool for such a project. However, because of asymmetric protein segregation during mitosis, an efficient separation of the refractive index and the height in the phase signal is required. Even though many strategies to make such a separation have been developed, they usually are difficult to implement, have poor sensitivity, or cannot be performed in living cells, or in a single shot. In this paper, we will discuss the use of a new technique called fluorescence exclusion to perform volume measurements. By coupling such technique with a simultaneous phase measurement, we were also able to recover the refractive index inside the cells. Fluorescence exclusion is a versatile and powerful technique that allows the volume measurement of many types of cells. A fluorescent dye, which cannot penetrate inside the cells, is mixed with the external medium in a confined environment. Therefore, the fluorescent signal depends on the inverse of the object's height. We could demonstrate both experimentally and theoretically that fluorescence exclusion can accurately measure cell volumes, even for cells much higher than the depth of focus of the objective. A local accurate height and RI measurement can also be obtained for smaller cells. We will also discuss the way to optimize the confinement of the observation chamber, either mechanically or optically.

  5. Lung volume calculated from electrical impedance tomography in ICU patients at different PEEP levels

    NARCIS (Netherlands)

    I.G. Bikker (Ido); S. Leonhardt (Steffen); J. Bakker (Jan); D.A.M.P.J. Gommers (Diederik)

    2009-01-01

    textabstractPurpose: To study and compare the relationship between end-expiratory lung volume (EELV) and changes in end-expiratory lung impedance (EELI) measured with electrical impedance tomography (EIT) at the basal part of the lung at different PEEP levels in a mixed ICU population. Methods:

  6. Project W-320, 241-C-106 sluicing HVAC calculations, Volume 1

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, J.W.

    1998-08-07

    This supporting document has been prepared to make the FDNW calculations for Project W-320, readily retrievable. The report contains the following calculations: Exhaust airflow sizing for Tank 241-C-106; Equipment sizing and selection recirculation fan; Sizing high efficiency mist eliminator; Sizing electric heating coil; Equipment sizing and selection of recirculation condenser; Chiller skid system sizing and selection; High efficiency metal filter shielding input and flushing frequency; and Exhaust skid stack sizing and fan sizing.

  7. Possibilités actuelles du calcul des constantes élastiques de polymères par des méthodes de simulation atomistique Current Possibilities of the Computation of Elastic Constants of Polymers Using Atomistic Simulations

    Directory of Open Access Journals (Sweden)

    Dal Maso F.

    2006-12-01

    Full Text Available Les propriétés élastiques des phases amorphe et cristalline pures de polymères semi-cristallins ne sont en général pas mesurables directement avec les moyens physiques habituels. Il est donc nécessaire de recourir à des méthodes de calcul numérique. Cet article décrit certaines de ces méthodes, fondées sur des modélisations atomistiques, ainsi qu'une évaluation des implémentations actuelles. Il est montré que la méthode proposée par Zehnder et al. (1996 fournit les meilleurs résultats, au prix d'un temps long de calcul, dû à la dynamique moléculaire. Néanmoins, aucune de ces méthodes n'est vraiment utilisable simplement au jour le jour, car elles requièrent des moyens importants de calcul. Elastic properties of pure crystalline and amorphous phases of a semicrystalline polymer are usually not directly measurable by usual physical means. It therefore is necessary to resort to numerical computing methods. This paper describes some of these methods, based on atomistic simulations, as well as an assessment of current implementations. It is shown that the method proposed by Zehnder et al. (1996 gives the best results, at the expense of long computing time, due to molecular dynamic simulation. Nevertheless none of these methods are really usable on a daily basis, since there are demanding important computing capabilities.

  8. Radiation heat transfer calculations using a control-angle, control-volume-based discrete ordinates method

    Energy Technology Data Exchange (ETDEWEB)

    Chai, J.C.; Lee, H.S.; Patankar, S.V. (Minnesota Univ., Minneapolis (United States) NASA, Lewis Research Center, Cleveland, OH (United States))

    1993-01-01

    A control-angle, control-volume-based discrete ordinates method (CA - CV DOM) is presented in this paper. A detailed formulation of the discretization equation is presented in two-dimensional Cartesian coordinate system. The procedure can be extended to curvilinear coordinate system with minor modifications. The step and modified-exponential schemes are used in this study. Present results converged to the grid independent solutions quickly and compared favorably against other published results for six test problems. 27 refs.

  9. Comparison of matching by body volume or gestational age for calculation of observed to expected total lung volume in fetuses with isolated congenital diaphragmatic hernia.

    Science.gov (United States)

    Nawapun, K; Sandaite, I; Dekoninck, P; Claus, F; Richter, J; De Catte, L; Deprest, J

    2014-12-01

    To determine the bias induced by matching fetuses according to gestational age (GA) or fetal body volume (FBV) when calculating the observed to expected total fetal lung volume (o/e TFLV) in cases of isolated congenital diaphragmatic hernia (CDH). This was a single-center, retrospective study on archived magnetic resonance (MR) images of fetuses with isolated CDH over a 10-year period. We retrieved the TFLV, GA and o/e TFLVGA , and delineated FBV to obtain TFLVFBV in each case. We evaluated the relationship between o/e TFLVFBV and o/e TFLVGA by Bland-Altman analysis. All outliers were manually identified, and their specific clinical features were retrieved. Records of a total of 377 MR examinations of 225 fetuses were identified and included in the analysis. The mean ( ± SD) time spent on FBV measurement was 16.12 ± 4.95 min. On reproducibility analysis of FBV measurement (n = 10), the intraobserver intraclass correlation coefficient (ICC) was 0.998 and the interobserver ICC was 0.999. FBV was highly correlated with GA (R(2)  = 0.899; P  90(th) centile (+14.7%). Discrepancies in matching by FBV and GA when calculating o/e TFLV are more likely in fetuses with an abnormal EFW or in fetuses carried by overweight women. The clinical relevance of using FBV rather than GA for calculation of the o/e TFLV might be limited, as there was no discrepancy between the two methods in fetuses with small lungs ( lung volume assessment. Copyright © 2014 ISUOG. Published by John Wiley & Sons Ltd.

  10. Project W-320, 241-C-106 sluicing: Piping calculations. Volume 4

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, J.W.

    1998-07-24

    This supporting document has been prepared to make the FDNW calculations for Project W-320 readily retrievable. The objective of this calculation is to perform the structural analysis of the Pipe Supports designed for Slurry and Supernate transfer pipe lines in order to meet the requirements of applicable ASME codes. The pipe support design loads are obtained from the piping stress calculations W320-27-I-4 and W320-27-I-5. These loads are the total summation of the gravity, pressure, thermal and seismic loads. Since standard typical designs are used for each type of pipe support such as Y-Stop, Guide and Anchors, each type of support is evaluated for the maximum loads to which this type of supports are subjected. These loads are obtained from the AutoPipe analysis and used to check the structural adequacy of these supports.

  11. Project W-320, 241-C-106 sluicing: Piping calculations. Volume 2

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, J.W.

    1998-07-25

    This supporting document has been prepared to make the FDNW calculations for Project W-320 readily retrievable. The objectives of this calculation are (1) To perform static and Safety Class 2 dynamic stress analysis of the Slurry and Supernate Process (inner) piping connecting Tanks 241-C-106 and 241-AY-102 in order to be in compliance with the Code requirements; (2) To assure the thermal expansion of the process pipe not be strained by the outer encasement pipe; and (3) To furnish process pipe support to the Civil Engineering group.

  12. Project W-320, 241-C-106 sluicing civil/structural calculations, Volume 7

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, J.W.

    1998-07-24

    The structural skid supporting the Process Building and equipment is designed based on the criteria, codes and standards, referenced in the calculation. The final members and the associated elements satisfy the design requirements of the structure. Revision 1 incorporates vendor data for the weight of the individual equipment components. The updated information does not affect the original conclusion of the calculation, since the overall effect is a reduction in the total weight of the equipment and a nominal relocation of the center of gravity for the skid assembly.

  13. Project W-320, 241-C-106 sluicing piping calculations, Volume 7

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, J.W.

    1998-07-29

    The object of this report is to calculate the hydraulic forces imposed at the sluicer nozzle. This is required by Project W-320 waste retrieval for tank 241-C-106. The method of analysis used is Bernoulli`s momentum equation for stead flow.

  14. Volume and surface photoemission from tungsten. I. Calculation of band structure and emission spectra

    DEFF Research Database (Denmark)

    Christensen, N. Egede; Feuerbacher, B.

    1974-01-01

    The electronic energy-band structure of tungsten has been calculated by means of the relativistic-augmented-plane-wave method. A series of mutually related potentials are constructed by varying the electronic configuration and the amount of Slater exchange included. The best band structure...

  15. Variation in Number of Doses, Bottle Volume, and Calculated Yearly Cost of Generic and Branded Latanoprost for Glaucoma.

    Science.gov (United States)

    Queen, Joanna H; Feldman, Robert M; Lee, David A

    2016-03-01

    To evaluate discrepancies in doses per bottle, bottle fill volume, and cost among branded and generic formulations of latanoprost. Comparative economic analysis. This study was conducted at the Ruiz Department of Ophthalmology and Visual Science at The University of Texas Health Science Center at Houston (UTHealth). Four regionally available latanoprost formulations were measured. Number of drops per bottle and actual bottle fill volume were measured for a calculated sample size (10 bottles). Annual cost (using average wholesale price), days use per bottle, drops per milliliter, and number of bottles used per year were calculated. Data were summarized using mean and standard deviation; 1-way analysis of variance and post hoc Tukey's studentized range test were used for comparing means among manufacturers. Pfizer's branded lantanoprost, Xalatan (New York, New York, USA), had the largest fill volume (P Levene 0.14). Annual cost and number of doses per bottle, factors important to patients, vary significantly depending on the manufacturer of latanoprost. Practitioners can better advise patients by being aware of these differences. Copyright © 2016 Elsevier Inc. All rights reserved.

  16. Project W-320, 241-C-106 sluicing electrical calculations, Volume 2

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, J.W.

    1998-08-07

    This supporting document has been prepared to make the FDNW calculations for Project W-320, readily retrievable. These calculations are required: To determine the power requirements needed to power electrical heat tracing segments contained within three manufactured insulated tubing assemblies; To verify thermal adequacy of tubing assembly selection by others; To size the heat tracing feeder and branch circuit conductors and conduits; To size protective circuit breaker and fuses; and To accomplish thermal design for two electrical heat tracing segments: One at C-106 tank riser 7 (CCTV) and one at the exhaust hatchway (condensate drain). Contents include: C-Farm electrical heat tracing; Cable ampacity, lighting, conduit fill and voltage drop; and Control circuit sizing and voltage drop analysis for the seismic shutdown system.

  17. Probabilistic Requirements (Partial) Verification Methods Best Practices Improvement. Variables Acceptance Sampling Calculators: Empirical Testing. Volume 2

    Science.gov (United States)

    Johnson, Kenneth L.; White, K. Preston, Jr.

    2012-01-01

    The NASA Engineering and Safety Center was requested to improve on the Best Practices document produced for the NESC assessment, Verification of Probabilistic Requirements for the Constellation Program, by giving a recommended procedure for using acceptance sampling by variables techniques as an alternative to the potentially resource-intensive acceptance sampling by attributes method given in the document. In this paper, the results of empirical tests intended to assess the accuracy of acceptance sampling plan calculators implemented for six variable distributions are presented.

  18. Weather data for simplified energy calculation methods. Volume IV. United States: WYEC data

    Energy Technology Data Exchange (ETDEWEB)

    Olsen, A.R.; Moreno, S.; Deringer, J.; Watson, C.R.

    1984-08-01

    The objective of this report is to provide a source of weather data for direct use with a number of simplified energy calculation methods available today. Complete weather data for a number of cities in the United States are provided for use in the following methods: degree hour, modified degree hour, bin, modified bin, and variable degree day. This report contains sets of weather data for 23 cities using Weather Year for Energy Calculations (WYEC) source weather data. Considerable overlap is present in cities (21) covered by both the TRY and WYEC data. The weather data at each city has been summarized in a number of ways to provide differing levels of detail necessary for alternative simplified energy calculation methods. Weather variables summarized include dry bulb and wet bulb temperature, percent relative humidity, humidity ratio, wind speed, percent possible sunshine, percent diffuse solar radiation, total solar radiation on horizontal and vertical surfaces, and solar heat gain through standard DSA glass. Monthly and annual summaries, in some cases by time of day, are available. These summaries are produced in a series of nine computer generated tables.

  19. Floating substructure flexibility of large-volume 10MW offshore wind turbine platforms in dynamic calculations

    Science.gov (United States)

    Borg, Michael; Melchior Hansen, Anders; Bredmose, Henrik

    2016-09-01

    Designing floating substructures for the next generation of 10MW and larger wind turbines has introduced new challenges in capturing relevant physical effects in dynamic simulation tools. In achieving technically and economically optimal floating substructures, structural flexibility may increase to the extent that it becomes relevant to include in addition to the standard rigid body substructure modes which are typically described through linear radiation-diffraction theory. This paper describes a method for the inclusion of substructural flexibility in aero-hydro-servo-elastic dynamic simulations for large-volume substructures, including wave-structure interactions, to form the basis of deriving sectional loads and stresses within the substructure. The method is applied to a case study to illustrate the implementation and relevance. It is found that the flexible mode is significantly excited in an extreme event, indicating an increase in predicted substructure internal loads.

  20. Calculation of ternary Si-Fe-Al phase equilibrium in vacuum distillation by molecular interaction volume model

    Directory of Open Access Journals (Sweden)

    Liu K.

    2014-01-01

    Full Text Available The vacuum distillation of aluminum from Si-Fe-Al ternary alloy with high content of Al is studied by a molecular interaction volume model (MIVM in this paper. The vapor-liquid phase equilibrium of the Si-Fe-Al system in vacuum distillation has been calculated using only the properties of pure components and the activity coefficients. A significant advantage of the model lies in its ability to predict the thermodynamic properties of liquid alloys using only binary infinite dilution activity coefficients. The thermodynamic activities and activity coefficients of components of the related Si-Fe, Si- Al and Fe-Al binary and the Si-Fe-Al ternary alloy systems are calculated based on the MIVM. The computational activity values are presented graphically, and evaluated with the reported experiment data in the literature, which shows that the prediction effect of the proposed model is of stability and reliability.

  1. Weather data for simplified energy calculation methods. Volume III. Western United States: TRY data

    Energy Technology Data Exchange (ETDEWEB)

    Olsen, A.R.; Moreno, S.; Deringer, J.; Watson, C.R.

    1984-08-01

    The objective is to provide a source of weather data for direct use with a number of simplified energy calculation methods available today. Complete weather data for a number of cities in the United States are provided for use in the following methods: degree hour, modified degree hour, bin, modified bin, and variable degree day. This report contains sets of weather data for 24 cities in the continental United States using Test Reference Year (TRY) source weather data. The weather data at each city has been summarized in a number of ways to provide differing levels of detail necessary for alternative simplified energy calculation methods. Weather variables summarized include dry bulb and wet bulb temperature, percent relative humidity, humidity ratio, wind speed, percent possible sunshine, percent diffuse solar radiation, total solar radiation on horizontal and vertical surfaces, and solar heat gain through standard DSA glass. Monthly and annual summaries, in some cases by time of day, are available. These summaries are produced in a series of nine computer generated tables.

  2. Generalization techniques to reduce the number of volume elements for terrain effect calculations in fully analytical gravitational modelling

    Science.gov (United States)

    Benedek, Judit; Papp, Gábor; Kalmár, János

    2017-10-01

    Beyond rectangular prism polyhedron, as a discrete volume element, can also be used to model the density distribution inside 3D geological structures. The calculation of the closed formulae given for the gravitational potential and its higher-order derivatives, however, needs twice more runtime than that of the rectangular prism computations. Although the more detailed the better principle is generally accepted it is basically true only for errorless data. As soon as errors are present any forward gravitational calculation from the model is only a possible realization of the true force field on the significance level determined by the errors. So if one really considers the reliability of input data used in the calculations then sometimes the "less" can be equivalent to the "more" in statistical sense. As a consequence the processing time of the related complex formulae can be significantly reduced by the optimization of the number of volume elements based on the accuracy estimates of the input data. New algorithms are proposed to minimize the number of model elements defined both in local and in global coordinate systems. Common gravity field modelling programs generate optimized models for every computation points (dynamic approach), whereas the static approach provides only one optimized model for all. Based on the static approach two different algorithms were developed. The grid-based algorithm starts with the maximum resolution polyhedral model defined by 3-3 points of each grid cell and generates a new polyhedral surface defined by points selected from the grid. The other algorithm is more general; it works also for irregularly distributed data (scattered points) connected by triangulation. Beyond the description of the optimization schemes some applications of these algorithms in regional and local gravity field modelling are presented too. The efficiency of the static approaches may provide even more than 90% reduction in computation time in favourable

  3. Evaluation of the gas stripping technique for calculation of Henry's law constants using the initial slope method for 1,2,4,5-tetrachlorobenzene, pentachlorobenzene, and hexachlorobenzene.

    Science.gov (United States)

    McPhedran, Kerry N; Seth, Rajesh; Drouillard, Ken G

    2013-06-01

    Henry's law constant (HLC) is an important factor used in environmental risk assessment and fate and transport models to describe mass transfer of chemical between water and air. HLCs and structure-property relationships were assessed for 1,2,4,5-tetrachlorobenzene (TeCB), pentachlorobenzene (PeCB), and hexachlorobenzene (HCB). HLCs were determined using the volatilization rate (kv) of sparged chemical at 25 °C. Despite the assumption that kv should be constant throughout the stripping duration, results indicated that kv decreased over time according to three separate slope regions. Results of ANCOVA indicate that kv is statistically different in the third slope region, which leads to the conclusion that use of the entire stripping data set would lead to biased HLCs. This decrease in kv may be attributed to desorption from sparger surfaces, which has not been considered widely in the literature. Statistical analysis was possible because of the robustness of the current experimental procedure which included numerous replications (15 total spargers) and extensive data points available to discern key slope changes. HLCs determined using the gas stripping technique were 57, 33, and 30 Pa m(3) mol(-1) for 1,2,4,5-TeCB, PeCB, and HCB, respectively. In comparison to literature values, current TeCB and HCB HLCs were within wide reference ranges spanning approximately an order of magnitude for each chemical. PeCB HLC of the current study was two times lower than the lowest reference data. Copyright © 2013 Elsevier Ltd. All rights reserved.

  4. Volume 1: Calculating potential to emit releases and doses for FEMP's and NOCs

    Energy Technology Data Exchange (ETDEWEB)

    HILL, J.S.

    1999-07-27

    The purpose of this document is to provide Hanford Site facilities a handbook for estimating potential emissions and the subsequent offsite doses. General guidelines and information are provided to assist personnel in estimating emissions for use with U.S. Department of Energy (DOE) facility effluent monitoring plans (FEMPs) and regulatory notices of construction (NOCs), per 40 Code of Federal Regulations (CFR) Part 61, Subpart H, and Washington Administrative Code (WAC) Chapter 246-247 requirements. This document replaces Unit Dose Calculation Methods and Summary of Facility Effluent Monitoring Plan Determinations (WHC-EP-0498). Meteorological data from 1983 through 1996, 13-year data set, was used to develop the unit dose factors provided by this document, with the exception of two meteorological stations. Meteorological stations 23 and 24, located at Gable Mountain and the 100-F Area, only have data from 1986 through 1996, 10-year data set. The scope of this document includes the following: Estimating emissions and resulting effective dose equivalents (EDE) to a facility's nearest offsite receptor (NOR) for use with NOCs under 40 CFR Part 61, Subpart H, requirements Estimating emissions and resulting EDEs to a facility's or emission unit's NOR for use with NOCs under the WAC Chapter 246-247 requirements Estimating emissions and resulting EDEs to a facility's or emission unit's NOR for use with FEMPs and FEMP determinations under DOE Orders 5400.1 and 5400.5 requirements.

  5. Extended calculations of energy levels, radiative properties, AJ, BJ hyperfine interaction constants, and Landé gJ-factors for oxygen-like Kr XXIX

    Science.gov (United States)

    Wang, K.; Jönsson, P.; Ekman, J.; Si, R.; Chen, Z. B.; Li, Y. G.; Chen, C. Y.; Yan, J.

    2017-06-01

    Using the multiconfiguration Dirac-Fock method and the second-order many-body perturbation theory method, highly accurate calculations are performed for the lowest 344 fine-structure levels arising from the 2s2 2p4 , 2s2 2p5 , 2p6 , 2s2 2p3 3 s , 2s2 2p3 3 p , 2s2 2p3 3 d , 2s2 2p4 3 s , 2s2 2p4 3 p , 2s2 2p4 3 d , 2p5 3 s , 2p5 3 p , 2p5 3 d , 2s2 2p3 4 s , 2s2 2p3 4 p , 2s2 2p3 4 d , 2s2 2p3 4 f , and 2s 2p4 4 s configurations in O-like Kr XXIX. Complete and consistent atomic data, including excitation energies, lifetimes, wavelengths, hyperfine structures, Landé gJ-factors, and E1, M1, E2, M2 transition rates, line strengths, and oscillator strengths among these 344 levels are obtained. Comparisons are made between our two different sets of results, as well as with the other available experimental and theoretical values. For O-like Kr only a few levels have been experimentally established. The accuracy of our calculated energies is however high enough to facilitate identifications of observed lines involving the n=3,4 levels. The calculated data are also useful for modeling and diagnosing fusion plasmas.

  6. Comparison of soot formation for diesel and jet-a in a constant volume combustion chamber using two-color pyrometry

    KAUST Repository

    Jing, Wei

    2014-04-01

    The measurement of the two-color line of sight soot and KL factor for NO.2 diesel and jet-A fuels was conducted in an optical constant volume combustion chamber by using a high speed camera under 1000 K ambient temperature and varied oxygen concentration conditions. The ambient conditions were set as follows: four oxygen cases including 10%, 15%, 18% and 21% at 1000 K ambient temperature. KL factor and soot temperature were determined based on the two-color pyrometry technique using two band-pass filters with wavelengths of 650 nm and 550 nm. The results show that low soot temperature is observed in the upstream inner flame along the centerline, which is surrounded by high soot temperature regions, and a high KL factor is found in the same region with a low soot temperature. The results under different times suggest that soot temperature is higher for high O2 conditions during the entire flame development; meanwhile, both integrated KL factor and soot area decrease with the increase of O2 concentration. The two fuels share a similar trend of soot temperature and KL factor, however, diesel flame has a higher soot temperature and a larger high soot temperature area compared to jet-A flame. On the other hand, diesel flame shows a lower soot level during the quasi-steady state with a higher total soot level at the end of the combustion under low O2 conditions. A lower O2 concentration range from 10% to 15% is expected to have the possibility to achieve a simultaneous reduction of soot and NOx in sooting flames under the 1000 K ambient temperature condition. Copyright © 2014 SAE International.

  7. Cálculo do volume na equação de van der Waals pelo método de cardano Volume calculation in van der Waals equation by the cardano method

    Directory of Open Access Journals (Sweden)

    Nelson H. T. Lemes

    2010-01-01

    Full Text Available Analytical solutions of a cubic equation with real coefficients are established using the Cardano method. The method is first applied to simple third order equation. Calculation of volume in the van der Waals equation of state is afterwards established. These results are exemplified to calculate the volumes below and above critical temperatures. Analytical and numerical values for the compressibility factor are presented as a function of the pressure. As a final example, coexistence volumes in the liquid-vapor equilibrium are calculated. The Cardano approach is very simple to apply, requiring only elementary operations, indicating an attractive method to be used in teaching elementary thermodynamics.

  8. MATHEMATICAL CONSTANTS.

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, H.P.; Potter, Elinor

    1971-03-01

    This collection of mathematical data consists of two tables of decimal constants arranged according to size rather than function, a third table of integers from 1 to 1000, giving some of their properties, and a fourth table listing some infinite series arranged according to increasing size of the coefficients of the terms. The decimal values of Tables I and II are given to 20 D.

  9. Comparison of distinctive models for calculating an interlobar emphysema heterogeneity index in patients prior to endoscopic lung volume reduction

    Directory of Open Access Journals (Sweden)

    Theilig D

    2017-06-01

    Full Text Available Dorothea Theilig,1 Felix Doellinger,1 Alexander Poellinger,1 Vera Schreiter,1 Konrad Neumann,2 Ralf-Harto Hubner31Department of Radiology, Charité Campus Virchow Klinikum, Charité, Universitätsmedizin Berlin, Berlin, Germany; 2Institute of Biometrics and Clinical Epidemiology, Charité Campus Benjamin Franklin, Charité, Universitätsmedizin Berlin, Berlin, Germany; 3Department of Pneumology, Charité Campus Virchow Klinikum, Charité, Universitätsmedizin Berlin, Berlin, GermanyBackground: The degree of interlobar emphysema heterogeneity is thought to play an important role in the outcome of endoscopic lung volume reduction (ELVR therapy of patients with advanced COPD. There are multiple ways one could possibly define interlobar emphysema heterogeneity, and there is no standardized definition.Purpose: The aim of this study was to derive a formula for calculating an interlobar emphysema heterogeneity index (HI when evaluating a patient for ELVR. Furthermore, an attempt was made to identify a threshold for relevant interlobar emphysema heterogeneity with regard to ELVR.Patients and methods: We retrospectively analyzed 50 patients who had undergone technically successful ELVR with placement of one-way valves at our institution and had received lung function tests and computed tomography scans before and after treatment. Predictive accuracy of the different methods for HI calculation was assessed with receiver-operating characteristic curve analysis, assuming a minimum difference in forced expiratory volume in 1 second of 100 mL to indicate a clinically important change.Results: The HI defined as emphysema score of the targeted lobe (TL minus emphysema score of the ipsilateral nontargeted lobe disregarding the middle lobe yielded the best predicative accuracy (AUC =0.73, P=0.008. The HI defined as emphysema score of the TL minus emphysema score of the lung without the TL showed a similarly good predictive accuracy (AUC =0.72, P=0.009. Subgroup

  10. A volume of intersection approach for on-the-fly system matrix calculation in 3D PET image reconstruction

    Science.gov (United States)

    Lougovski, A.; Hofheinz, F.; Maus, J.; Schramm, G.; Will, E.; van den Hoff, J.

    2014-02-01

    The aim of this study is the evaluation of on-the-fly volume of intersection computation for system’s geometry modelling in 3D PET image reconstruction. For this purpose we propose a simple geometrical model in which the cubic image voxels on the given Cartesian grid are approximated with spheres and the rectangular tubes of response (ToRs) are approximated with cylinders. The model was integrated into a fully 3D list-mode PET reconstruction for performance evaluation. In our model the volume of intersection between a voxel and the ToR is only a function of the impact parameter (the distance between voxel centre to ToR axis) but is independent of the relative orientation of voxel and ToR. This substantially reduces the computational complexity of the system matrix calculation. Based on phantom measurements it was determined that adjusting the diameters of the spherical voxel size and the ToR in such a way that the actual voxel and ToR volumes are conserved leads to the best compromise between high spatial resolution, low noise, and suppression of Gibbs artefacts in the reconstructed images. Phantom as well as clinical datasets from two different PET systems (Siemens ECAT HR+ and Philips Ingenuity-TF PET/MR) were processed using the developed and the respective vendor-provided (line of intersection related) reconstruction algorithms. A comparison of the reconstructed images demonstrated very good performance of the new approach. The evaluation showed the respective vendor-provided reconstruction algorithms to possess 34-41% lower resolution compared to the developed one while exhibiting comparable noise levels. Contrary to explicit point spread function modelling our model has a simple straight-forward implementation and it should be easy to integrate into existing reconstruction software, making it competitive to other existing resolution recovery techniques.

  11. Uncertainty in Measurement: A Review of Monte Carlo Simulation Using Microsoft Excel for the Calculation of Uncertainties Through Functional Relationships, Including Uncertainties in Empirically Derived Constants

    Science.gov (United States)

    Farrance, Ian; Frenkel, Robert

    2014-01-01

    The Guide to the Expression of Uncertainty in Measurement (usually referred to as the GUM) provides the basic framework for evaluating uncertainty in measurement. The GUM however does not always provide clearly identifiable procedures suitable for medical laboratory applications, particularly when internal quality control (IQC) is used to derive most of the uncertainty estimates. The GUM modelling approach requires advanced mathematical skills for many of its procedures, but Monte Carlo simulation (MCS) can be used as an alternative for many medical laboratory applications. In particular, calculations for determining how uncertainties in the input quantities to a functional relationship propagate through to the output can be accomplished using a readily available spreadsheet such as Microsoft Excel. The MCS procedure uses algorithmically generated pseudo-random numbers which are then forced to follow a prescribed probability distribution. When IQC data provide the uncertainty estimates the normal (Gaussian) distribution is generally considered appropriate, but MCS is by no means restricted to this particular case. With input variations simulated by random numbers, the functional relationship then provides the corresponding variations in the output in a manner which also provides its probability distribution. The MCS procedure thus provides output uncertainty estimates without the need for the differential equations associated with GUM modelling. The aim of this article is to demonstrate the ease with which Microsoft Excel (or a similar spreadsheet) can be used to provide an uncertainty estimate for measurands derived through a functional relationship. In addition, we also consider the relatively common situation where an empirically derived formula includes one or more ‘constants’, each of which has an empirically derived numerical value. Such empirically derived ‘constants’ must also have associated uncertainties which propagate through the functional

  12. Reproducibility of the Helium-3 Constant-Volume Gas Thermometry and New Data Down to 1.9 K at NMIJ/AIST

    Science.gov (United States)

    Nakano, Tohru; Shimazaki, Takeshi; Tamura, Osamu

    2017-07-01

    This study confirms reproducibility of the International Temperature Scale of 1990 (ITS-90) realized by interpolation using the constant-volume gas thermometer (CVGT) of National Metrology Institute of Japan (NMIJ)/AIST with 3He as the working gas from 3 K to 24.5561 K by comparing the newly obtained results and those of earlier reports, indicating that the CVGT has retained its capability after renovation undertaken since strong earthquakes struck Japan. The thermodynamic temperature T is also obtained using the single-isotherm fit to four working gas densities (127 mol\\cdot m^{-3}, 145 mol\\cdot m^{-3}, 171 mol\\cdot m^{-3} and 278 mol\\cdot m^{-3}) down to 1.9 K, using the triple point temperature of Ne as a reference temperature. In this study, only the second virial coefficient is taken into account for the single-isotherm fit. Differences between T and the ITS-90 temperature, T-T_{90}, reported in earlier works down to 3 K were confirmed in this study. At the temperatures below 3 K down to 2.5 K, T-T_{90} is much smaller than the standard combined uncertainty of thermodynamic temperature measurement. However, T- T_{90} seems to increase with decreasing temperature below 2.5 K down to 1.9 K, although still within the standard combined uncertainty of thermodynamic temperature measurement. In this study, T is obtained also from the CVGT with a single gas density of 278 mol\\cdot m^{-3} using the triple-point temperature of Ne as a reference temperature by making correction for the deviation from the ideal gas using theoretical values of the second and third virial coefficients down to 2.6 K, which is the lowest temperature of the theoretical values of the third virial coefficient. T values obtained using this method agree well with those obtained from the single-isotherm fit. We also found that the second virial coefficient obtained by the single-isotherm fit to experimental results agrees well with that obtained by the single-isotherm fit to the theoretically

  13. Calculation of left ventricular volumes and ejection fraction from dynamic cardiac-gated 15O-water PET/CT: 5D-PET

    Directory of Open Access Journals (Sweden)

    Jonny Nordström

    2017-11-01

    Full Text Available Abstract Background Quantitative measurement of myocardial blood flow (MBF is of increasing interest in the clinical assessment of patients with suspected coronary artery disease (CAD. 15O-water positron emission tomography (PET is considered the gold standard for non-invasive MBF measurements. However, calculation of left ventricular (LV volumes and ejection fraction (EF is not possible from standard 15O-water uptake images. The purpose of the present work was to investigate the possibility of calculating LV volumes and LVEF from cardiac-gated parametric blood volume (V B 15O-water images and from first pass (FP images. Sixteen patients with mitral or aortic regurgitation underwent an eight-gate dynamic cardiac-gated 15O-water PET/CT scan and cardiac MRI. V B and FP images were generated for each gate. Calculations of end-systolic volume (ESV, end-diastolic volume (EDV, stroke volume (SV and LVEF were performed with automatic segmentation of V B and FP images, using commercially available software. LV volumes and LVEF were calculated with surface-, count-, and volume-based methods, and the results were compared with gold standard MRI. Results Using V B images, high correlations between PET and MRI ESV (r = 0.89, p  0.86, p < 0.001. Conclusion Calculation of LV volumes and LVEF from dynamic 15O-water PET is feasible and shows good correlation with MRI. However, the analysis method is laborious, and future work is needed for more automation to make the method more easily applicable in a clinical setting.

  14. Transition state theory thermal rate constants and RRKM-based branching ratios for the N((2)D) + CH(4) reaction based on multi-state and multi-reference ab initio calculations of interest for the Titan's chemistry.

    Science.gov (United States)

    Ouk, Chanda-Malis; Zvereva-Loëte, Natalia; Scribano, Yohann; Bussery-Honvault, Béatrice

    2012-10-30

    Multireference single and double configuration interaction (MRCI) calculations including Davidson (+Q) or Pople (+P) corrections have been conducted in this work for the reactants, products, and extrema of the doublet ground state potential energy surface involved in the N((2)D) + CH(4) reaction. Such highly correlated ab initio calculations are then compared with previous PMP4, CCSD(T), W1, and DFT/B3LYP studies. Large relative differences are observed in particular for the transition state in the entrance channel resolving the disagreement between previous ab initio calculations. We confirm the existence of a small but positive potential barrier (3.86 ± 0.84 kJ mol(-1) (MR-AQCC) and 3.89 kJ mol(-1) (MRCI+P)) in the entrance channel of the title reaction. The correlation is seen to change significantly the energetic position of the two minima and five saddle points of this system together with the dissociation channels but not their relative order. The influence of the electronic correlation into the energetic of the system is clearly demonstrated by the thermal rate constant evaluation and it temperature dependance by means of the transition state theory. Indeed, only MRCI values are able to reproduce the experimental rate constant of the title reaction and its behavior with temperature. Similarly, product branching ratios, evaluated by means of unimolecular RRKM theory, confirm the NH production of Umemoto et al., whereas previous works based on less accurate ab initio calculations failed. We confirm the previous findings that the N((2)D) + CH(4) reaction proceeds via an insertion-dissociation mechanism and that the dominant product channels are CH(2)NH + H and CH(3) + NH. Copyright © 2012 Wiley Periodicals, Inc.

  15. A first-principles approach to finite temperature elastic constants

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Y; Wang, J J; Zhang, H; Manga, V R; Shang, S L; Chen, L-Q; Liu, Z-K [Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States)

    2010-06-09

    A first-principles approach to calculating the elastic stiffness coefficients at finite temperatures was proposed. It is based on the assumption that the temperature dependence of elastic stiffness coefficients mainly results from volume change as a function of temperature; it combines the first-principles calculations of elastic constants at 0 K and the first-principles phonon theory of thermal expansion. Its applications to elastic constants of Al, Cu, Ni, Mo, Ta, NiAl, and Ni{sub 3}Al from 0 K up to their respective melting points show excellent agreement between the predicted values and existing experimental measurements.

  16. Algorithm for structure constants

    CERN Document Server

    Paiva, F M

    2011-01-01

    In a $n$-dimensional Lie algebra, random numerical values are assigned by computer to $n(n-1)$ especially selected structure constants. An algorithm is then created, which calculates without ambiguity the remaining constants, obeying the Jacobi conditions. Differently from others, this algorithm is suitable even for poor personal computer. ------------- En $n$-dimensia algebro de Lie, hazardaj numeraj valoroj estas asignitaj per komputilo al $n(n-1)$ speciale elektitaj konstantoj de strukturo. Tiam algoritmo estas kreita, kalkulante senambigue la ceterajn konstantojn, obeante kondicxojn de Jacobi. Malsimile al aliaj algoritmoj, tiu cxi tauxgas ecx por malpotenca komputilo.

  17. Radiographic constant exposure technique

    DEFF Research Database (Denmark)

    Domanus, Joseph Czeslaw

    1985-01-01

    The constant exposure technique has been applied to assess various industrial radiographic systems. Different X-ray films and radiographic papers of two producers were compared. Special attention was given to fast film and paper used with fluorometallic screens. Radiographic image quality was tes...... was tested by the use of ISO wire IQI's and ASTM penetrameters used on Al and Fe test plates. Relative speed and reduction of kilovoltage obtained with the constant exposure technique were calculated. The advantages of fast radiographic systems are pointed out...

  18. Comparison of Quantitative Analysis of Image Logs for Shale Volume and Net to Gross Calculation of a Thinly Laminated Reservoir between VNG-NERGE and LAGIA-EGYPT

    Directory of Open Access Journals (Sweden)

    Ahmed Z. Nooh

    2017-09-01

    The gamma ray log data resolution is considerably lower than the FMI log to reflect accurate lithology changes in thinly bedded reservoirs. It has been found afterthought some calibrations and corrections on the FMI resistivity log, the new processed log is used for clay volume and net to gross calculation of the reservoir, indicating the potential of this log for analysis of thin beds. A comparison between VNG-NERGE, NORTH SEA WELL, NERWING and LAGIA-8, LAGIA, EGYPT indicates the calculation for shale volume at different intervals using FMI tools.

  19. Nuclear criticality safety experiments, calculations, and analyses - 1958 to 1982. Volume 2. Summaries. Complilation of papers from the Transactions of the American Nuclear Society

    Energy Technology Data Exchange (ETDEWEB)

    Koponen, B.L.; Hampel, V.E.

    1982-10-21

    This compilation contains 688 complete summaries of papers on nuclear criticality safety as presented at meetings of the American Nuclear Society (ANS). The selected papers contain criticality parameters for fissile materials derived from experiments and calculations, as well as criticality safety analyses for fissile material processing, transport, and storage. The compilation was developed as a component of the Nuclear Criticality Information System (NCIS) now under development at the Lawrence Livermore National Laboratory. The compilation is presented in two volumes: Volume 1 contains a directory to the ANS Transaction volume and page number where each summary was originally published, the author concordance, and the subject concordance derived from the keyphrases in titles. Volume 2 contains-in chronological order-the full-text summaries, reproduced here by permission of the American Nuclear Society from their Transactions, volumes 1-41.

  20. Calculating constants of the rates of the reactions of excitation, ionization, and atomic exchange: A model of a shock oscillator with a change of the Hamiltonian of the system

    Science.gov (United States)

    Tsyganov, D. L.

    2017-11-01

    A new model for calculating the rates of reactions of excitation, ionization, and atomic exchange is proposed. Diatomic molecule AB is an unstructured particle M upon the exchange of elastic-vibrational (VT) energy, i.e., a model of a shock forceful oscillator with a change in Hamiltonian (SFOH). The SFOH model is based on the quantum theory of strong perturbations. The SFOH model allows generalization in simulating the rates of the reactions of excitation, ionization, and atomic exchange in the vibrational-vibrational (VV) energy exchange of diatomic molecules, and the exchange of VV- and VT-energy of polyatomic molecules. The rate constants of the excitation of metastables A 3Σ u +, B 3Π g , W 3Δ u , B'3Σ u -, a'3Σ u -, and the ionization of a nitrogen molecules from ground state X2Σ g + upon a collision with a heavy structureless particle (a nitrogen molecule), are found as examples.

  1. Clinical application of calculated split renal volume using computed tomography-based renal volumetry after partial nephrectomy: Correlation with technetium-99m dimercaptosuccinic acid renal scan data.

    Science.gov (United States)

    Lee, Chan Ho; Park, Young Joo; Ku, Ja Yoon; Ha, Hong Koo

    2017-06-01

    To evaluate the clinical application of computed tomography-based measurement of renal cortical volume and split renal volume as a single tool to assess the anatomy and renal function in patients with renal tumors before and after partial nephrectomy, and to compare the findings with technetium-99m dimercaptosuccinic acid renal scan. The data of 51 patients with a unilateral renal tumor managed by partial nephrectomy were retrospectively analyzed. The renal cortical volume of tumor-bearing and contralateral kidneys was measured using ImageJ software. Split estimated glomerular filtration rate and split renal volume calculated using this renal cortical volume were compared with the split renal function measured with technetium-99m dimercaptosuccinic acid renal scan. A strong correlation between split renal function and split renal volume of the tumor-bearing kidney was observed before and after surgery (r = 0.89, P < 0.001 and r = 0.94, P < 0.001). The preoperative and postoperative split estimated glomerular filtration rate of the operated kidney showed a moderate correlation with split renal function (r = 0.39, P = 0.004 and r = 0.49, P < 0.001). The correlation between reductions in split renal function and split renal volume of the operated kidney (r = 0.87, P < 0.001) was stronger than that between split renal function and percent reduction in split estimated glomerular filtration rate (r = 0.64, P < 0.001). The split renal volume calculated using computed tomography-based renal volumetry had a strong correlation with the split renal function measured using technetium-99m dimercaptosuccinic acid renal scan. Computed tomography-based split renal volume measurement before and after partial nephrectomy can be used as a single modality for anatomical and functional assessment of the tumor-bearing kidney. © 2017 The Japanese Urological Association.

  2. Preoperative volume calculation of the hepatic venous draining areas with multi-detector row CT in adult living donor liver transplantation: impact on surgical procedure

    Energy Technology Data Exchange (ETDEWEB)

    Frericks, Bernd B.J. [Hanover Medical School, Departments of Radiology and Surgery, Hannover (Germany); University of Berlin, Department of Radiology, Berlin (Germany); Charite - University Medicine Berlin, Department of Radiology and Nuclear Medicine, Berlin (Germany); Kirchhoff, Timm D.; Shin, Hoen-Oh; Stamm, Georg; Merkesdal, Sonja; Abe, Takehiko; Galanski, Michael [Hanover Medical School, Departments of Radiology and Surgery, Hannover (Germany); Hanover Medical School, Department of Diagnostic Radiology, Hannover (Germany); Schenk, Andrea; Peitgen, Heinz-Otto [Hanover Medical School, Departments of Radiology and Surgery, Hannover (Germany); MeVis - Center for Medical Diagnostic Systems and Visualization, Bremen (Germany); Klempnauer, Juergen [Hanover Medical School, Departments of Radiology and Surgery, Hannover (Germany); Hanover Medical School, Department of Visceral- and Transplantation Surgery, Hannover (Germany); Nashan, Bjoern [Hanover Medical School, Departments of Radiology and Surgery, Hannover (Germany); Hanover Medical School, Department of Visceral- and Transplantation Surgery, Hannover (Germany); Dalhousie University, Multi Organ Transplant Program, Halifax, Nova Scotia (Canada)

    2006-12-15

    The purpose was to assess the volumes of the different hepatic territories and especially the drainage of the right paramedian sector in adult living donor liver transplantation (ALDLT). CT was performed in 40 potential donors of whom 28 underwent partial living donation. Data sets of all potential donors were postprocessed using dedicated software for segmentation, volumetric analysis and visualization of liver territories. During an initial period, volumes and shapes of liver parts were calculated based on the individual portal venous perfusion areas. After partial hepatic congestion occurring in three grafts, drainage territories with special regard to MHV tributaries from the right paramedian sector, and the IRHV were calculated additionally. Results were visualized three-dimensionally and compared to the intraoperative findings. Calculated graft volumes based on hepatic venous drainage and graft weights correlated significantly (r=0.86,P<0.001). Mean virtual graft volume was 930 ml and drained as follows: RHV: 680 ml, IRHV: 170 ml (n=11); segment 5 MHV tributaries: 100 ml (n=16); segment 8 MHV tributaries: 110 ml (n=20). When present, the mean aberrant venous drainage fraction of the right liver lobe was 28%. The evaluated protocol allowed a reliable calculation of the hepatic venous draining areas and led to a change in the hepatic venous reconstruction strategy at our institution. (orig.)

  3. GIS (Geographic Information Systems) based calculation on hydrocarbon generated volume: Amazon Basin example; O uso de SIG no calculo de hidrocarbonetos gerados: exemplo da Bacia do Amazonas

    Energy Technology Data Exchange (ETDEWEB)

    Pedrinha, Saulo; Simoes, Leonardo; Goncalves, Felix T.T.; Carneiro, Jason T.G. [Petroleum Geoscience Technology Ltda. (PGT), Rio de Janeiro, RJ (Brazil)

    2008-07-01

    The calculation of the volume of hydrocarbons generated from a particular source rock a sedimentary basin provides numerical data that help to better describe the petroleum system, and evaluate its potential. Among the various methodologies developed for calculating the volume of oil there is a proposal by Schmoker (1994), which has the advantage to take into account the occurrence of the source rock area in the basin, and the spatial variations in the main geological parameters. Using the tools of a GIS, through the manipulation of georeferred maps, it is possible to calculate the volume of oil generated in a way that would be virtually impossible by using punctual data, only. Even the discretiation maps in minors areas allows, via attribute table in the GIS, the application of a Monte Carlo simulation, which allows to incorporate all the uncertainties related to the input data in the calculation, obtaining distributions of volumes associated with various parts of the final map being integrated throughout the basin. Isopac and maturation maps (Gonzaga et al., 2000), along with TOC data from Barreirinha formation, Amazon Basin, have been scanned and georeferred and, once in the GIS database, were treated in order to spatially distribute the geological properties of the source rock. Then, such maps were handled in accordance with Schmoker (1994) method, leading to a map of mass and distribution of oil generated in the basin at the regional scale. (author)

  4. A novel mathematical model to predict the severity of postoperative functional reduction before partial nephrectomy: the importance of calculating resected and ischemic volume.

    Science.gov (United States)

    Shin, Tae Young; Komninos, Christos; Kim, Dong Wook; So, Keum Sook; Bang, Ki Seok; Jeong, Heon-Jae; Han, Woong Kyu; Hong, Sung Jun; Jung, Byung Ha; Lim, Sey Kiat; Lee, Sang Kon; Lee, Won Ki; Rha, Koon Ho

    2015-02-01

    Preoperatively predicting postoperative kidney function is an essential step to achieve improved renal function and prevent chronic kidney disease. We introduce a novel formula especially to calculate resected and ischemic volume before partial nephrectomy. We examined whether resected and ischemic volume would have value for predicting postoperative renal function. We performed a retrospective cohort study in 210 patients who underwent robotic partial nephrectomy between September 2006 and October 2013 at a tertiary cancer care center. Based on abdominopelvic computerized tomography and magnetic resonance imaging we calculated resected and ischemic volume by the novel mathematical formula using integral calculus. We comparatively analyzed resected and ischemic volume, and current nephrometry systems to determine the degree of association and predictability regarding the severity of the postoperative functional reduction. On multivariable analysis resected and ischemic volume showed a superior association with the absolute change in estimated glomerular filtration rate/percent change in estimated glomerular filtration rate (B = 6.5, p = 0.005/B = 6.35, p = 0.009). The ROC AUC revealed accurate predictability of resected and ischemic volume on the stratified event of an absolute change in estimated glomerular filtration rate/event of percent change in estimated glomerular filtration rate compared to 3 representative nephrometry systems. The calibration plot of this model was excellent (close to the 45-degree line) within the whole range of predicted probabilities. We report a method of preoperatively calculating resected and ischemic volume with a novel formula. This method has superior correlation with the absolute and percent change in estimated glomerular filtration rate compared to current nephrometry systems. The predictive model achieved a strong correlation for the absolute and percent change in estimated glomerular filtration rate. Copyright © 2015 American

  5. High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomic hydrogen.

    Science.gov (United States)

    Meana-Pañeda, Rubén; Truhlar, Donald G; Fernández-Ramos, Antonio

    2011-03-07

    We report a detailed theoretical study of the hydrogen abstraction reaction from methanol by atomic hydrogen. The study includes the analysis of thermal rate constants, branching ratios, and kinetic isotope effects. Specifically, we have performed high-level computations at the MC3BB level together with direct dynamics calculations by canonical variational transition state theory (CVT) with the microcanonically optimized multidimensional tunneling (μOMT) transmission coefficient (CVT/μOMT) to study both the CH(3)OH+H→CH(2)OH+H(2) (R1) reaction and the CH(3)OH+H→CH(3)O+H(2) (R2) reaction. The CVT/μOMT calculations show that reaction R1 dominates in the whole range 298≤T (K)≤2500 and that anharmonic effects on the torsional mode about the C-O bond are important, mainly at high temperatures. The activation energy for the total reaction sum of R1 and R2 reactions changes substantially with temperature and, therefore, the use of straight-line Arrhenius plots is not valid. We recommend the use of new expressions for the total R1 + R2 reaction and for the R1 and R2 individual reactions. © 2011 American Institute of Physics.

  6. Main effects and interactions of cerebral hemispheres, gender, and age in the calculation of volumes and asymmetries of selected structures of episodic memory

    Science.gov (United States)

    Ramirez-Carmona, Rocio; Garcia-Lazaro, Haydee Guadalupe; Dominguez-Corrales, Brenda; Aguilar-Castañeda, Erika; Roldan-Valadez, Ernesto

    2016-01-01

    Summary The aim of this study was to clarify the influence of anatomical (cerebral hemisphere) and demographic (age and gender) variables on the gray matter (GM) volumes and volumetric asymmetry indices (VAIs) of selected structures involved in episodic memory. A cross-sectional study was performed in 47 healthy volunteers. Neuropsychological evaluation revealed similar IQs across the sample. Using SPM-based software, brain segmentation, labeling and volume measurements of the hippocampus, amygdala, middle temporal gyrus and parahippocampal gyrus were performed in each cerebral hemisphere. A two-way between-groups multivariate analysis of covariance (MANCOVA) was applied to GM volumes and VAIs. The main effects of gender and cerebral hemisphere on GM volumes were significant (p < .001), while there was no significant interaction effect between gender and cerebral hemisphere. VAI measurements showed a non-significant effect of gender, but a significant influence of age (p = .015). The linear model of interactions and main effects explained 33% of the variance influencing the GM volume quantification. While cerebral hemisphere and gender were found to affect the volumes of brain structures involved in episodic memory, the calculation of VAIs was affected only by age. A comprehensive understanding of the main effects and interaction effects of cerebral hemisphere, gender and age on the volumes and asymmetries of structures related to episodic memory might help neurologists, psychiatrists, geriatricians and other neuroscientists in the study of degenerative brain diseases. PMID:28072386

  7. Main effects and interactions of cerebral hemispheres, gender, and age in the calculation of volumes and asymmetries of selected structures of episodic memory.

    Science.gov (United States)

    Ramirez-Carmona, Rocio; Garcia-Lazaro, Haydee Guadalupe; Dominguez-Corrales, Brenda; Aguilar-Castañeda, Erika; Roldan-Valadez, Ernesto

    The aim of this study was to clarify the influence of anatomical (cerebral hemisphere) and demographic (age and gender) variables on the gray matter (GM) volumes and volumetric asymmetry indices (VAIs) of selected structures involved in episodic memory. A cross-sectional study was performed in 47 healthy volunteers. Neuropsychological evaluation revealed similar IQs across the sample. Using SPM-based software, brain segmentation, labeling and volume measurements of the hippocampus, amygdala, middle temporal gyrus and parahippocampal gyrus were performed in each cerebral hemisphere. A two-way between-groups multivariate analysis of covariance (MANCOVA) was applied to GM volumes and VAIs. The main effects of gender and cerebral hemisphere on GM volumes were significant (p gender and cerebral hemisphere. VAI measurements showed a nonsignificant effect of gender, but a significant influence of age (p = .015). The linear model of interactions and main effects explained 33% of the variance influencing the GM volume quantification. While cerebral hemisphere and gender were found to affect the volumes of brain structures involved in episodic memory, the calculation of VAIs was affected only by age. A comprehensive understanding of the main effects and interaction effects of cerebral hemisphere, gender and age on the volumes and asymmetries of structures related to episodic memory might help neurologists, psychiatrists, geriatricians and other neuroscientists in the study of degenerative brain diseases.

  8. Cerebral blood volume calculated by dynamic susceptibility contrast-enhanced perfusion MR imaging: preliminary correlation study with glioblastoma genetic profiles.

    Directory of Open Access Journals (Sweden)

    Inseon Ryoo

    Full Text Available To evaluate the usefulness of dynamic susceptibility contrast (DSC enhanced perfusion MR imaging in predicting major genetic alterations in glioblastomas.Twenty-five patients (M:F = 13∶12, mean age: 52.1±15.2 years with pathologically proven glioblastoma who underwent DSC MR imaging before surgery were included. On DSC MR imaging, the normalized relative tumor blood volume (nTBV of the enhancing solid portion of each tumor was calculated by using dedicated software (Nordic TumorEX, NordicNeuroLab, Bergen, Norway that enabled semi-automatic segmentation for each tumor. Five major glioblastoma genetic alterations (epidermal growth factor receptor (EGFR, phosphatase and tensin homologue (PTEN, Ki-67, O6-methylguanine-DNA methyltransferase (MGMT and p53 were confirmed by immunohistochemistry and analyzed for correlation with the nTBV of each tumor. Statistical analysis was performed using the unpaired Student t test, ROC (receiver operating characteristic curve analysis and Pearson correlation analysis.The nTBVs of the MGMT methylation-negative group (mean 9.5±7.5 were significantly higher than those of the MGMT methylation-positive group (mean 5.4±1.8 (p = .046. In the analysis of EGFR expression-positive group, the nTBVs of the subgroup with loss of PTEN gene expression (mean: 10.3±8.1 were also significantly higher than those of the subgroup without loss of PTEN gene expression (mean: 5.6±2.3 (p = .046. Ki-67 labeling index indicated significant positive correlation with the nTBV of the tumor (p = .01.We found that glioblastomas with aggressive genetic alterations tended to have a high nTBV in the present study. Thus, we believe that DSC-enhanced perfusion MR imaging could be helpful in predicting genetic alterations that are crucial in predicting the prognosis of and selecting tailored treatment for glioblastoma patients.

  9. Human dental age estimation by calculation of pulp-tooth volume ratios yielded on clinically acquired cone beam computed tomography images of monoradicular teeth.

    Science.gov (United States)

    Star, Hazha; Thevissen, Patrick; Jacobs, Reinhilde; Fieuws, Steffen; Solheim, Tore; Willems, Guy

    2011-01-01

    Secondary dentine is responsible for a decrease in the volume of the dental pulp cavity with aging. The aim of this study is to evaluate a human dental age estimation method based on the ratio between the volume of the pulp and the volume of its corresponding tooth, calculated on clinically taken cone beam computed tomography (CBCT) images from monoradicular teeth. On the 3D images of 111 clinically obtained CBCT images (Scanora(®) 3D dental cone beam unit) of 57 female and 54 male patients ranging in age between 10 and 65 years, the pulp-tooth volume ratio of 64 incisors, 32 canines, and 15 premolars was calculated with Simplant(®) Pro software. A linear regression model was fit with age as dependent variable and ratio as predictor, allowing for interactions of specific gender or tooth type. The obtained pulp-tooth volume ratios were the strongest related to age on incisors. © 2010 American Academy of Forensic Sciences.

  10. Influence of the choice of parameters of the TAC in the calculation of volumes for different planners; Influencia de la eleccion de los parametros del TAC en el calculo de volumenes para distintos planificadores

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez Mazon, J.; Raba Diez, J. L.; Vazquez Rodriguez, J. A.; Pacheco Baldor, M. T.; Mendiguren Santiago, M. A.

    2011-07-01

    In the Protocol for the control treatment planning systems with ionizing radiation of the proposed SEFM tests to verify proper operation of the calculation in the evaluation of DVH (Dose Volume Histogram). The calculation of the volume that makes a planner may have important implications because it can trigger an overestimation of the dose or otherwise. We present a comparison of the calculation of volumes estimated with 4 different planners.

  11. Calculation of hydraulic conductivities and capillary rise in peat soils from bulk density and solid matter volume

    NARCIS (Netherlands)

    Bloemen, G.W.

    1981-01-01

    Recently it was demonstrated how unsaturated hydraulic conductivities of soils can be calculated from granular composition and organic matter content (BLOEMEN, 1980a). This type of calculations has to be restricted to mineral soils because the capillary properties of organic soils will not be

  12. Simultaneous Speciation, Structure, and Equilibrium Constant Determination in the Ni2+-EDTA-CN-Ternary System via High-Resolution Laboratory X-ray Absorption Fine Structure Spectroscopy and Theoretical Calculations.

    Science.gov (United States)

    Bajnóczi, Éva G; Németh, Zoltán; Vankó, György

    2017-11-20

    Even quite simple chemical systems can involve many components and chemical states, and sometimes it can be very difficult to differentiate them by their hardly separable physical-chemical properties. The Ni II -EDTA-CN - (EDTA = ethylenediaminetetraacetic acid) ternary system is a good example for this problem where, in spite of its fairly simple components and numerous investigations, several molecular combinations can exist, all of them not having been identified unambiguously yet. In order to achieve a detailed understanding of the reaction steps and chemical equilibria, methods are required in which the structural transitions in the different reaction steps can be followed via element-selective complex spectral feature sets. With the help of our recently developed von Hámos type high-resolution laboratory X-ray absorption spectrometer, both the structural variations and stability constants of the forming complexes were determined from the same measurement series, proving that X-ray absorption spectroscopy can be considered as a multifaced, table-top tool in coordination chemistry. Furthermore, with the help of theoretical calculations, independent structural evidence was also given for the formation of the [NiEDTA(CN)] 3- mixed complex.

  13. Path integral calculation of thermal rate constants within the quantum instanton approximation: application to the H + CH4 --> H2 + CH3 hydrogen abstraction reaction in full Cartesian space.

    Science.gov (United States)

    Zhao, Yi; Yamamoto, Takeshi; Miller, William H

    2004-02-15

    The quantum instanton approximation for thermal rate constants of chemical reactions [Miller, Zhao, Ceotto, and Yang, J. Chem. Phys. 119, 1329 (2003)], which is modeled after the earlier semiclassical instanton approach, is applied to the hydrogen abstraction reaction from methane by a hydrogen atom, H + CH4 --> H2 + CH3, using a modified and recalibrated version of the Jordan-Gilbert potential surface. The quantum instanton rate is evaluated using path integral Monte Carlo approaches based on the recently proposed implementation schemes [Yamamoto and Miller, J. Chem. Phys. 120, 3086 (2004)]. The calculations were carried out using the Cartesian coordinates of all the atoms (thus involving 18 degrees of freedom), thereby taking explicit account of rotational effects of the whole system and also allowing the equivalent treatment of the four methane hydrogens. To achieve such a treatment, we present extended forms of the path integral estimators for relevant quantities that may be used for general N-atom systems with any generalized reaction coordinates. The quantum instanton rates thus obtained for the temperature range T = 200-2000 K show good agreement with available experimental data, which gives support to the accuracy of the underlying potential surface used. Copyright 2004 American Institute of Physics

  14. An analytic solution for calculating the beam intensity profiles useful to irradiate target volumes with bi-concave outlines

    Energy Technology Data Exchange (ETDEWEB)

    De Neve, W.; Derycke, S.; De Wagter, C. [Ghent Rijksuniversiteit (Belgium). Kliniek voor Radiotherapie en Kerngeneeskunde

    1995-12-01

    A heuristic planing procedure allowing to obtain a 3-dimensional conformal dose distribution in radiotherapy for target volumes with a bi-concave or multi-concave shape has been developed. The described method is tested on a phantom simulating a pelvic target, described by Brahme.

  15. A Monte-Carlo code for neutron efficiency calculations for large volume Gd-loaded liquid scintillation detectors

    Energy Technology Data Exchange (ETDEWEB)

    Trzcinski, A.; Zwieglinski, B. [Soltan Inst. for Nuclear Studies, Warsaw (Poland); Lynen, U. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany); Pochodzalla, J. [Max-Planck-Institut fuer Kernphysik, Heidelberg (Germany)

    1998-10-01

    This paper reports on a Monte-Carlo program, MSX, developed to evaluate the performance of large-volume, Gd-loaded liquid scintillation detectors used in neutron multiplicity measurements. The results of simulations are presented for the detector intended to count neutrons emitted by the excited target residue in coincidence with the charged products of the projectile fragmentation following relativistic heavy-ion collisions. The latter products could be detected with the ALADIN magnetic spectrometer at GSI-Darmstadt. (orig.) 61 refs.

  16. The influence of hepatic transport on the distribution volumes and mean residence time of drug in the body and the accuracy of estimating these parameters by the traditional pharmacokinetic calculations.

    Science.gov (United States)

    Berezhkovskiy, Leonid M

    2011-11-01

    The influence of hepatic uptake and efflux, which includes passive diffusion and transporter-mediated component, on drug distribution volumes [steady-state volume of distribution (V(ss)) and terminal volume of distribution (V(β))], mean residence time (MRT), clearance, and terminal half-life is considered using a simplified physiologically based pharmacokinetic model. To account for hepatic uptake, liver is treated as two-compartmental unit with drug transfer from extracellular water into hepatocytes. The exactly calculated distribution volumes and MRT are compared with that obtained by the traditional equations based on the assumption of central elimination. It was found that V(ss) may increase more than 10-fold and V(β) more than 100-fold due to the contribution of transporter-mediated uptake. The terminal half-life may be substantially shortened (more than 100-fold) due to transporters. It may also decrease significantly due to the increase of intrinsic hepatic clearance (CL(int)), whereas hepatic clearance has already reached saturation (and stays close to the possible maximum value). It is shown that in case of transporter-mediated uptake of compound into hepatocytes, in the absence of efflux and passive diffusion (unidirectional uptake), hepatic clearance is independent of CL(int) and is determined by hepatic blood flow and uptake rate constant. The effects of transporter-mediated uptake are mostly pronounced for hydrophilic acidic compounds and moderately lipophilic neutral compounds. For basic compounds and lipophilic neutral compounds the change of distribution volumes due to transporters is rather unlikely. It was found that the traditional equations provide very accurate values of V(ss), V(β), and MRT in the absence of transporter action even for very low rates of passive diffusion. On the other hand, the traditional equations fail to provide the correct values of these parameters when the increase of distribution volumes due to transporters takes

  17. The Issue of Calculating the Final Temperature of the Products of Rapid Exothermic Chemical Reactions with Significant Energy Release in a Closed Volume

    Science.gov (United States)

    Lazarev, V.; Geidmanis, D.

    2016-02-01

    The theoretical problem solved in this article is the calculation of thermodynamic parameters such as final temperature, distribution of the liquid and dry saturated vapour phases of the substance that are considered to be in thermodynamic equilibrium, and pressure of the system of several reaction products after adding to the system a certain amount of heat or the thermal effect released during rapid exothermic reaction in a closed volume that occurs so fast that it can be considered to be adiabatic, and when the volume of liquid reagents is several orders of magnitude less than the volume of the reactor. The general multi-substance problem is reduced to a theoretical problem for one substance of calculation thermodynamic parameters of system after adding a certain amount of heat that gives theoretically rigorous isochoric calculation. In this article, we substantiate our view that isochoric pass of calculation is more robust compared to seemingly more natural isobaric pass of calculation, if the later involves quite not trivial calculation of the adiabatic compression of a two-phase system (liquid - dry saturated vapour) that can pass itself into another kind of state (liquid - wet saturated vapour), which requires, apparently, more complex descriptions compared with isochoric calculation because the specific heat capacity of wet saturated vapour can be negative. The solved theoretical problem relates to a practical problem that has been a driver for our research as part of a design of the reactor of the titanium reduction from magnesium and titanium tetrachloride supplied into atmosphere of the reactor at high temperatures when both reagents are in gaseous state. The reaction is known to be exothermic with a high thermal effect, and estimate of the final temperature and pressure of the products of reaction, for instance, designing the reactor allows eliminating the possibility of the reaction products to penetrate backwards into supply tracts of the reagents

  18. Réalisation et caractérisation de dispositifs de mesure associés à la détermination de la constante de von Klitzing à partir d’un condensateur calculable étalon dit de Thompson-Lampard

    OpenAIRE

    Sindjui, Ralph

    2016-01-01

    The comparison of electrical quantities expressed in units of the International System of Units (SI) and the same quantities generated from quantum effects is a direct way of determining physical constants. The determination of the von Klitzing constant (quantum of resistance) from a calculable capacitor is a part of this process. The last determination of this constant was conducted at LNE in 2000 with an uncertainty of 5.10-8. To achieve a target uncertainty of 1.10-8, the LNE decided to bu...

  19. Neutronics Benchmarks for the Utilization of Mixed-Oxide Fuel: Joint US/Russian Progress Report for Fiscal 1997. Volume 3 - Calculations Performed in the Russian Federation

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-06-01

    This volume of the progress report provides documentation of reactor physics and criticality safety studies conducted in the Russian Federation during fiscal year 1997 and sponsored by the Fissile Materials Disposition Program of the US Department of Energy. Descriptions of computational and experimental benchmarks for the verification and validation of computer programs for neutron physics analyses are included. All benchmarks include either plutonium, uranium, or mixed uranium and plutonium fuels. Calculated physics parameters are reported for all of the contaminated benchmarks that the United States and Russia mutually agreed in November 1996 were applicable to mixed-oxide fuel cycles for light-water reactors.

  20. Stresses and elastic constants of crystalline sodium, from molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Schiferl, S.K.

    1985-02-01

    The stresses and the elastic constants of bcc sodium are calculated by molecular dynamics (MD) for temperatures to T = 340K. The total adiabatic potential of a system of sodium atoms is represented by pseudopotential model. The resulting expression has two terms: a large, strictly volume-dependent potential, plus a sum over ion pairs of a small, volume-dependent two-body potential. The stresses and the elastic constants are given as strain derivatives of the Helmholtz free energy. The resulting expressions involve canonical ensemble averages (and fluctuation averages) of the position and volume derivatives of the potential. An ensemble correction relates the results to MD equilibrium averages. Evaluation of the potential and its derivatives requires the calculation of integrals with infinite upper limits of integration, and integrand singularities. Methods for calculating these integrals and estimating the effects of integration errors are developed. A method is given for choosing initial conditions that relax quickly to a desired equilibrium state. Statistical methods developed earlier for MD data are extended to evaluate uncertainties in fluctuation averages, and to test for symmetry. 45 refs., 10 figs., 4 tabs.

  1. GRAPHICAL DETERMINATION OF DISSOCIATION CONSTANT ...

    African Journals Online (AJOL)

    DR. AMINU

    3: Plot of pH versus Log [HA]/[A-] for pKa of Valine. CONCLUSION. The acid dissociation constant of non polar amino acids determined graphically for the first time from the available literature were found to be similar with corresponding calculated values reported in the literature. Therefore the graphical approach is ...

  2. On proper linearization, construction and analysis of the Boyle-van't Hoff plots and correct calculation of the osmotically inactive volume.

    Science.gov (United States)

    Katkov, Igor I

    2011-06-01

    The Boyle-van't Hoff (BVH) law of physics has been widely used in cryobiology for calculation of the key osmotic parameters of cells and optimization of cryo-protocols. The proper use of linearization of the Boyle-vant'Hoff relationship for the osmotically inactive volume (v(b)) has been discussed in a rigorous way in (Katkov, Cryobiology, 2008, 57:142-149). Nevertheless, scientists in the field have been continuing to use inappropriate methods of linearization (and curve fitting) of the BVH data, plotting the BVH line and calculation of v(b). Here, we discuss the sources of incorrect linearization of the BVH relationship using concrete examples of recent publications, analyze the properties of the correct BVH line (which is unique for a given v(b)), provide appropriate statistical formulas for calculation of v(b) from the experimental data, and propose simplistic instructions (standard operation procedure, SOP) for proper normalization of the data, appropriate linearization and construction of the BVH plots, and correct calculation of v(b). The possible sources of non-linear behavior or poor fit of the data to the proper BVH line such as active water and/or solute transports, which can result in large discrepancy between the hyperosmotic and hypoosmotic parts of the BVH plot, are also discussed. Copyright © 2011 Elsevier Inc. All rights reserved.

  3. Comparative evaluation of hemodynamic and respiratory parameters during mechanical ventilation with two tidal volumes calculated by demi-span based height and measured height in normal lungs

    Directory of Open Access Journals (Sweden)

    L Mousavi Seresht

    2014-01-01

    Full Text Available Background : Appropriate determination of tidal volume (VT is important for preventing ventilation induced lung injury. We compared hemodynamic and respiratory parameters in two conditions of receiving VTs calculated by using body weight (BW, which was estimated by measured height (HBW or demi-span based body weight (DBW. Materials and Methods : This controlled-trial was conducted in St. Alzahra Hospital in 2009 on American Society of Anesthesiologists (ASA I and II, 18-65-years-old patients. Standing height and weight were measured and then height was calculated using demi-span method. BW and VT were calculated with acute respiratory distress syndrome-net formula. Patients were randomized and then crossed to receive ventilation with both calculated VTs for 20 min. Hemodynamic and respiratory parameters were analyzed with SPSS version 20.0 using univariate and multivariate analyses. Results : Forty nine patients were studied. Demi-span based body weight and thus VT (DTV were lower than Height based body weight and VT (HTV (P = 0.028, in male patients (P = 0.005. Difference was observed in peak airway pressure (PAP and airway resistance (AR changes with higher PAP and AR at 20 min after receiving HTV compared with DTV. Conclusions : Estimated VT based on measured height is higher than that based on demi-span and this difference exists only in females, and this higher VT results higher airway pressures during mechanical ventilation.

  4. Constraints on geothermal reservoir volume change calculations from InSAR surface displacements and injection and production data

    Science.gov (United States)

    Kaven, J. Ole; Barbour, Andrew J.; Ali, Tabrez

    2017-04-01

    Continual production of geothermal energy at times leads to significant surface displacement that can be observed in high spatial resolution using InSAR imagery. The surface displacement can be analyzed to resolve volume change within the reservoir revealing the often-complicated patterns of reservoir deformation. Simple point source models of reservoir deformation in a homogeneous elastic or poro-elastic medium can be superimposed to provide spatially varying, kinematic representations of reservoir deformation. In many cases, injection and production data are known in insufficient detail; but, when these are available, the same Green functions can be used to constrain the reservoir deformation. Here we outline how the injection and production data can be used to constrain bounds on the solution by posing the inversion as a quadratic programming with inequality constraints and regularization rather than a conventional least squares solution with regularization. We apply this method to InSAR-derived surface displacements at the Coso and Salton Sea Geothermal Fields in California, using publically available injection and production data. At both geothermal fields the available surface deformation in conjunction with the injection and production data permit robust solutions for the spatially varying reservoir deformation. The reservoir deformation pattern resulting from the constrained quadratic programming solution is more heterogeneous when compared to a conventional least squares solution. The increased heterogeneity is consistent with the known structural controls on heat and fluid transport in each geothermal reservoir.

  5. Comparison of the rate constants for energy transfer in the light-harvesting protein, C-phycocyanin, calculated from Foerster`s theory and experimentally measured by time-resolved fluorescence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Debreczeny, Martin Paul [Univ. of California, Berkeley, CA (United States)

    1994-05-01

    We have measured and assigned rate constants for energy transfer between chromophores in the light-harvesting protein C-phycocyanin (PC), in the monomeric and trimeric aggregation states, isolated from Synechococcus sp. PCC 7002. In order to compare the measured rate constants with those predicted by Fdrster`s theory of inductive resonance in the weak coupling limit, we have experimentally resolved several properties of the three chromophore types ({beta}{sub 155} {alpha}{sub 84}, {beta}{sub 84}) found in PC monomers, including absorption and fluorescence spectra, extinction coefficients, fluorescence quantum yields, and fluorescence lifetimes. The cpcB/C155S mutant, whose PC is missing the {beta}{sub 155} chromophore, was, useful in effecting the resolution of the chromophore properties and in assigning the experimentally observed rate constants for energy transfer to specific pathways.

  6. CALCULATION OF EFFICIENCY OF PROCESS OF FRACTIONATION OF LOOSE MIX IN THE WORKING VOLUME OF A PNEUMATIC SEPARATOR

    Directory of Open Access Journals (Sweden)

    E. V. Semenov

    2015-01-01

    Full Text Available Summary. The process of separation bulk mixtures in the air stream is widespread in production associated with the cleaning of grain from impurity. In doing so, in order to effectively use the force of gravity appropriate cleaning grain in vertical air stream. Quantitative analysis of the separation process considering based on the model of the motion of an isolated particles in the stream. We used law of conservation of impulse in the form of the second law of Newton. Movement of particles in the air stream develops in conditions of large of number Reynolds. Therefore, the resistance force particles chosen by quadratic depending on its relative speed. Based on the quantitative analysis of the equations of motion of a particle moving on a specific trajectory, determine the critical diameter of the particles. As a process control setting chosen by the speed of the airflow. Based on the dispersion factor mixture of granular calculated coefficient of lightening. A specific example of equipment based on geometrical and physical-mechanical parameters of the process graphically presents the results of a qualitative and meaningful analysis on trajectories and velocities of the particles, the critical diameter of particle, coefficient of lightening.

  7. Some zero-sum constants with weights

    Indian Academy of Sciences (India)

    Home; Journals; Proceedings – Mathematical Sciences; Volume 118; Issue 2. Some Zero-Sum Constants with Weights. S D Adhikari ... Motivated by some recent developments around the notion of Davenport constant with weights, we study them in some basic cases. We also define a new combinatorial invariant related to ...

  8. Critical survey of stability constants of EDTA complexes critical evaluation of equilibrium constants in solution stability constants of metal complexes

    CERN Document Server

    Anderegg, G

    2013-01-01

    Critical Survey of Stability Constants of EDTA Complexes focuses on the computations, values, and characteristics of stability constants. The book emphasizes that for a critical discussion of experimentally determined stability constants, it is important to consider the precision of the values that manifests the self-consistency of the constant, taking into consideration the random errors. The publication reviews the stability constants of metal complexes. The numerical calculations affirm the reactions and transformations of metal ions when exposed to varying conditions. The text also present

  9. Cosmological constant, fine structure constant and beyond

    Energy Technology Data Exchange (ETDEWEB)

    Wei, Hao; Zou, Xiao-Bo; Li, Hong-Yu; Xue, Dong-Ze [Beijing Institute of Technology, School of Physics, Beijing (China)

    2017-01-15

    In the present work, we consider the cosmological constant model Λ ∝ α{sup -6}, which is well motivated from three independent approaches. As is well known, the hint of varying fine structure constant α was found in 1998. If Λ ∝ α{sup -6} is right, it means that the cosmological constant Λ should also be varying. Here, we try to develop a suitable framework to model this varying cosmological constant Λ ∝ α{sup -6}, in which we view it from an interacting vacuum energy perspective. Then we consider the observational constraints on these models by using the 293 Δα/α data from the absorption systems in the spectra of distant quasars. We find that the model parameters can be tightly constrained to the very narrow ranges of O(10{sup -5}) typically. On the other hand, we can also view the varying cosmological constant model Λ ∝ α{sup -6} from another perspective, namely it can be equivalent to a model containing ''dark energy'' and ''warm dark matter'', but there is no interaction between them. We find that this is also fully consistent with the observational constraints on warm dark matter. (orig.)

  10. Ion exchange equilibrium constants

    CERN Document Server

    Marcus, Y

    2013-01-01

    Ion Exchange Equilibrium Constants focuses on the test-compilation of equilibrium constants for ion exchange reactions. The book first underscores the scope of the compilation, equilibrium constants, symbols used, and arrangement of the table. The manuscript then presents the table of equilibrium constants, including polystyrene sulfonate cation exchanger, polyacrylate cation exchanger, polymethacrylate cation exchanger, polysterene phosphate cation exchanger, and zirconium phosphate cation exchanger. The text highlights zirconium oxide anion exchanger, zeolite type 13Y cation exchanger, and

  11. Radioiodine therapy in Graves' disease based on tissue-absorbed dose calculations: effect of pre-treatment thyroid volume on clinical outcome

    Energy Technology Data Exchange (ETDEWEB)

    Reinhardt, Michael J.; Joe, Alexius Y.; Mallek, Dirk von; Ezziddin, Samer; Palmedo, Holger [Department of Nuclear Medicine, University Hospital of Bonn, Sigmund-Freud-Strasse 25, 53127 Bonn (Germany); Brink, Ingo [Department of Nuclear Medicine, University Hospital of Freiburg (Germany); Krause, Thomas M. [Department of Nuclear Medicine, Inselspital Bern (Switzerland)

    2002-09-01

    This study was performed with three aims. The first was to analyse the effectiveness of radioiodine therapy in Graves' disease patients with and without goitres under conditions of mild iodine deficiency using several tissue-absorbed doses. The second aim was to detect further parameters which might be predictive for treatment outcome. Finally, we wished to determine the deviation of the therapeutically achieved dose from that intended. Activities of 185-2,220 MBq radioiodine were calculated by means of Marinelli's formula to deliver doses of 150, 200 or 300 Gy to the thyroids of 224 patients with Graves' disease and goitres up to 130 ml in volume. Control of hyperthyroidism, change in thyroid volume and thyrotropin-receptor antibodies were evaluated 15{+-}9 months after treatment for each dose. The results were further evaluated with respect to pre-treatment parameters which might be predictive for therapy outcome. Thyroidal radioiodine uptake was measured every day during therapy to determine the therapeutically achieved target dose and its coefficient of variation. There was a significant dose dependency in therapeutic outcome: frequency of hypothyroidism increased from 27.4% after 150 Gy to 67.7% after 300 Gy, while the frequency of persistent hyperthyroidism decreased from 27.4% after 150 Gy to 8.1% after 300 Gy. Patients who became hypothyroid had a maximum thyroid volume of 42 ml and received a target dose of 256{+-}80 Gy. The coefficient of variation for the achieved target dose ranged between 27.7% for 150 Gy and 17.8% for 300 Gy. When analysing further factors which might influence therapeutic outcome, only pre-treatment thyroid volume showed a significant relationship to the result of treatment. It is concluded that a target dose of 250 Gy is essential to achieve hypothyroidism within 1 year after radioiodine therapy in Graves' disease patients with goitres up to 40 ml in volume. Patients with larger goitres might need higher doses

  12. Use of kilovoltage X-ray volume imaging in patient dose calculation for head-and-neck and partial brain radiation therapy.

    Science.gov (United States)

    Hu, Weigang; Ye, Jinsong; Wang, Jiazhou; Ma, Xuejun; Zhang, Zhen

    2010-04-19

    To evaluate the accuracy of using kilovoltage x-ray cone-beam computed tomography (kV-CBCT) imaging for in vivo dose calculations. A Region-of-Interest (ROI) CT number mapping method was developed to generate the cone-beam CT number vs. relative electron density calibration curve for 3D dose calculations. The stability of the results was validated for three consecutive months. The method was evaluated on three brain tumors and three head-and-neck tumor cases. For each patient, kV-CBCT images were acquired on the first treatment day and two-week intervals on the Elekta XVI system. The delivered dose distributions were calculated by applying the patients' treatment plans to the kV-CBCT images. The resulting dose distributions and dose volume histograms (DVHs) of the tumor and critical structures were compared to the original treatment plan. The kV-CBCT electron density calibration was stable within 1.5% over a three-month period. The DVH and dose distribution comparison based on the planning CT and the initial kV-CBCT showed good agreements for majority of cases. The doses calculated from the planning CT and kV-CBCT were compared on planes perpendicular to the beam axes and passing through the isocenter. Using gamma analysis with a criterion of 2 mm/2% and a threshold of 10%, more than 99.5% of the points on the iso-planes exhibited gamma head-and-neck and brain tumor patients. Dose variations as monitored using kV-CBCT imaging suggest that some patients can benefit from adaptive treatment plan re-optimization.

  13. Calculation of the Electric Field and of the Parameters Of Controlled Self Compensating Power Lines 110 kV Line Using the Finite Volume Method

    Directory of Open Access Journals (Sweden)

    Patsyuk V.

    2015-12-01

    Full Text Available The paper studies the problem of calculating the electric field of the 110kV electric lines of CSCPL (Controlled Self Compensating Power Lines type. The potential of electrical conductors is determined by a system of equations for voltages taking into account there phase shift at every moment of time. set of values of the voltages in the system, taking into account the phase shift of the voltage vectors in time. We dispose the possibilities that ensure to calculate the linear values of capacity and inductance of the line knowing the electric field characteristics for a given geometry. The electric line with the horizontal placement of wires is studied. The repartition of the electric field for the limited domain of a square with sides of 100x100 m, the edges of which have zero values of potential is determined. To obtain a numerical solution of Dirichlet formulated problem we will consider the domain as a set of small triangles. As the approximate solution of the formulated problem, we will consider the piecewise-defined function , which must be continuous in the domain and of linear nature on each triangle . To calculate the electric fields when changing the phase shifting angle for voltages of conductors displaced close to each other in the 0-1800 frequency band and of different values of discretization time on the period of fundamental wave of voltage, the method of finite volumes has been used. The results of numerical calculation of the character of repartition of the potential in the field of the line for different values of time and of a phase shift of the vectors of applied voltages to the conductors of close phases for the 110 kV line of CSCPL type have been showed.

  14. Precision Cryptographic Calculation of the Observed Values of the Cosmological Constants {\\Omega}{\\Lambda} and {\\Omega}m as a Manifestation of the Higgs State in the Extension Field

    CERN Document Server

    Rhodes, Charles

    2010-01-01

    The Higgs concept can be assigned a precise quantitative cosmic identity with a physically anchored cryptographic analysis. Specifically demonstrated is the direct correspondence of the supersymmetric solution pair (BHh1 and BHh2) of the Higgs Congruence in the extension field to the observed magnitudes of the cosmological constants and . These results are in perfect agreement with the maximally preferred magnitudes of these quantities as experimentally determined (0.712 < {\\Omega}{\\Lambda}< 0.758 and 0.242 < {\\Omega}m< 0.308) by the concordance of measured ranges. The corresponding theoretical values found also satisfy exactly the condition for perfect flatness, an outcome that is legislated by the concept of supersymmetry in . Since previous work has established that the fine-structure constant {\\alpha} can be uniquely computed in the corresponding physically defined prime field , in sharp accord with the best high-precision measurement (~370 ppt) of {\\alpha}, the computation of and with the ide...

  15. High-Accuracy Quartic Force Field Calculations for the Spectroscopic Constants and Vibrational Frequencies of 1(exp 1)A' l-C3H(-): A Possible Link to Lines Observed in the Horsehead Nebula PDR

    Science.gov (United States)

    Fortenberry, Ryan C.; Huang, Xinchuan; Crawford, T. Daniel; Lee, Timothy J.

    2013-01-01

    It has been shown that rotational lines observed in the Horsehead nebula photon-dominated-region (PDR) are probably not caused by l-C3H+, as was originally suggested. In the search for viable alternative candidate carriers, quartic force fields are employed here to provide highly accurate rotational constants, as well as fundamental vibrational frequencies, for another candidate carrier: 1 (sup 1)A' C3H(-). The ab initio computed spectroscopic constants provided in this work are, compared to those necessary to define the observed lines, as accurate as the computed spectroscopic constants for many of the known interstellar anions. Additionally, the computed D-eff for C3H(-) is three times closer to the D deduced from the observed Horsehead nebula lines relative to l-C3H(+). As a result, 1 (sup 1)A' C3H(-). is a more viable candidate for these observed rotational transitions and would be the seventh confirmed interstellar anion detected within the past decade and the first C(sub n)H(-) molecular anion with an odd n.

  16. Impact of preoperative calculation of nephron volume loss on future of partial nephrectomy techniques; planning a strategic roadmap for improving functional preservation and securing oncological safety.

    Science.gov (United States)

    Rha, Koon H; Abdel Raheem, Ali; Park, Sung Y; Kim, Kwang H; Kim, Hyung J; Koo, Kyo C; Choi, Young D; Jung, Byung H; Lee, Sang K; Lee, Won K; Krishnan, Jayram; Shin, Tae Y; Cho, Jin-Seon

    2017-11-01

    To assess the correlation of the resected and ischaemic volume (RAIV), which is a preoperatively calculated volume of nephron loss, with the amount of postoperative renal function (PRF) decline after minimally invasive partial nephrectomy (PN) in a multi-institutional dataset. We identified 348 patients from March 2005 to December 2013 at six institutions. Data on all cases of laparoscopic (n = 85) and robot-assisted PN (n = 263) performed were retrospectively gathered. Univariable and multivariable linear regression analyses were used to identify the associations between various time points of PRF and the RAIV, as a continuous variable. The mean (sd) RAIV was 24.2 (29.2) cm3 . The mean preoperative estimated glomerular filtration rate (eGFR) and the eGFRs at postoperative day 1, 6 and 36 months after PN were 91.0 and 76.8, 80.2 and 87.7 mL/min/1.73 m2 , respectively. In multivariable linear regression analysis, the amount of decline in PRF at follow-up was significantly correlated with the RAIV (β 0.261, 0.165, 0.260 at postoperative day 1, 6 and 36 months after PN, respectively). This study has the limitation of its retrospective nature. Preoperatively calculated RAIV significantly correlates with the amount of decline in PRF during long-term follow-up. The RAIV could lead our research to the level of prediction of the amount of PRF decline after PN and thus would be appropriate for assessing the technical advantages of emerging techniques. © 2017 The Authors BJU International © 2017 BJU International Published by John Wiley & Sons Ltd.

  17. Cosmological Constant, Fine Structure Constant and Beyond

    CERN Document Server

    Wei, Hao; Li, Hong-Yu; Xue, Dong-Ze

    2016-01-01

    In this work, we consider the cosmological constant model $\\Lambda\\propto\\alpha^{-6}$, which is well motivated from three independent approaches. As is well known, the evidence of varying fine structure constant $\\alpha$ was found in 1998. If $\\Lambda\\propto\\alpha^{-6}$ is right, it means that the cosmological constant $\\Lambda$ should be also varying. In this work, we try to develop a suitable framework to model this varying cosmological constant $\\Lambda\\propto\\alpha^{-6}$, in which we view it from an interacting vacuum energy perspective. We propose two types of models to describe the evolutions of $\\Lambda$ and $\\alpha$. Then, we consider the observational constraints on these models, by using the 293 $\\Delta\\alpha/\\alpha$ data from the absorption systems in the spectra of distant quasars, and the data of type Ia supernovae (SNIa), cosmic microwave background (CMB), baryon acoustic oscillation (BAO). We find that the model parameters can be tightly constrained to the narrow ranges of ${\\cal O}(10^{-5})$ t...

  18. PACER -- A fast running computer code for the calculation of short-term containment/confinement loads following coolant boundary failure. Volume 2: User information

    Energy Technology Data Exchange (ETDEWEB)

    Sienicki, J.J. [Argonne National Lab., IL (United States). Reactor Engineering Div.

    1997-06-01

    A fast running and simple computer code has been developed to calculate pressure loadings inside light water reactor containments/confinements under loss-of-coolant accident conditions. PACER was originally developed to calculate containment/confinement pressure and temperature time histories for loss-of-coolant accidents in Soviet-designed VVER reactors and is relevant to the activities of the US International Nuclear Safety Center. The code employs a multicompartment representation of the containment volume and is focused upon application to early time containment phenomena during and immediately following blowdown. PACER has been developed for FORTRAN 77 and earlier versions of FORTRAN. The code has been successfully compiled and executed on SUN SPARC and Hewlett-Packard HP-735 workstations provided that appropriate compiler options are specified. The code incorporates both capabilities built around a hardwired default generic VVER-440 Model V230 design as well as fairly general user-defined input. However, array dimensions are hardwired and must be changed by modifying the source code if the number of compartments/cells differs from the default number of nine. Detailed input instructions are provided as well as a description of outputs. Input files and selected output are presented for two sample problems run on both HP-735 and SUN SPARC workstations.

  19. High-accuracy Quartic Force Field Calculations for the Spectroscopic Constants and Vibrational Frequencies of 11 A' l-C3H-: A Possible Link to Lines Observed in the Horsehead Nebula Photodissociation Region

    Science.gov (United States)

    Fortenberry, Ryan C.; Huang, Xinchuan; Crawford, T. Daniel; Lee, Timothy J.

    2013-07-01

    It has been shown that rotational lines observed in the Horsehead nebula photodissociation region (PDR) are probably not caused by l-C3H+, as was originally suggested. In the search for viable alternative candidate carriers, quartic force fields are employed here to provide highly accurate rotational constants, as well as fundamental vibrational frequencies, for another candidate carrier: 1 1 A' C3H-. The ab initio computed spectroscopic constants provided in this work are, compared to those necessary to define the observed lines, as accurate as the computed spectroscopic constants for many of the known interstellar anions. Additionally, the computed D eff for C3H- is three times closer to the D deduced from the observed Horsehead nebula lines relative to l-C3H+. As a result, 1 1 A' C3H- is a more viable candidate for these observed rotational transitions. It has been previously proposed that at least C6H- may be present in the Horsehead nebular PDR formed by way of radiative attachment through its dipole-bound excited state. C3H- could form in a similar way through its dipole-bound state, but its valence excited state increases the number of relaxation pathways possible to reach the ground electronic state. In turn, the rate of formation for C3H- could be greater than the rate of its destruction. C3H- would be the seventh confirmed interstellar anion detected within the past decade and the first C n H- molecular anion with an odd n.

  20. Projectile Motion with Quadratic Damping in a Constant ...

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 19; Issue 5. Projectile Motion with Quadratic Damping in a Constant Gravitational Field. Chandra Das Dhiranjan Roy. General Article Volume 19 Issue 5 May 2014 pp 446-465 ...

  1. SU-F-J-217: Accurate Dose Volume Parameters Calculation for Revealing Rectum Dose-Toxicity Effect Using Deformable Registration in Cervical Cancer Brachytherapy: A Pilot Study

    Energy Technology Data Exchange (ETDEWEB)

    Zhen, X; Chen, H; Liao, Y; Zhou, L [Southern Medical University, Guangzhou, Guangdong (China); Hrycushko, B; Albuquerque, K; Gu, X [UT Southwestern Medical Center, Dallas, TX (United States)

    2016-06-15

    Purpose: To study the feasibility of employing deformable registration methods for accurate rectum dose volume parameters calculation and their potentials in revealing rectum dose-toxicity between complication and non-complication cervical cancer patients with brachytherapy treatment. Method and Materials: Data from 60 patients treated with BT including planning images, treatment plans, and follow-up clinical exam were retrospectively collected. Among them, 12 patients complained about hematochezia were further examined with colonoscopy and scored as Grade 1–3 complication (CP). Meanwhile, another 12 non-complication (NCP) patients were selected as a reference group. To seek for potential gains in rectum toxicity prediction when fractional anatomical deformations are account for, the rectum dose volume parameters D0.1/1/2cc of the selected patients were retrospectively computed by three different approaches: the simple “worstcase scenario” (WS) addition method, an intensity-based deformable image registration (DIR) algorithm-Demons, and a more accurate, recent developed local topology preserved non-rigid point matching algorithm (TOP). Statistical significance of the differences between rectum doses of the CP group and the NCP group were tested by a two-tailed t-test and results were considered to be statistically significant if p < 0.05. Results: For the D0.1cc, no statistical differences are found between the CP and NCP group in all three methods. For the D1cc, dose difference is not detected by the WS method, however, statistical differences between the two groups are observed by both Demons and TOP, and more evident in TOP. For the D2cc, the CP and NCP cases are statistically significance of the difference for all three methods but more pronounced with TOP. Conclusion: In this study, we calculated the rectum D0.1/1/2cc by simple WS addition and two DIR methods and seek for gains in rectum toxicity prediction. The results favor the claim that accurate dose

  2. On Aryabhata's Planetary Constants

    OpenAIRE

    Kak, Subhash

    2001-01-01

    This paper examines the theory of a Babylonian origin of Aryabhata's planetary constants. It shows that Aryabhata's basic constant is closer to the Indian counterpart than to the Babylonian one. Sketching connections between Aryabhata's framework and earlier Indic astronomical ideas on yugas and cyclic calendar systems, it is argued that Aryabhata's system is an outgrowth of an earlier Indic tradition.

  3. Generalized Pickands constants

    NARCIS (Netherlands)

    K.G. Debicki

    2001-01-01

    textabstractPickands constants play an important role in the exact asymptotic of extreme values for Gaussian stochastic processes. By the {it generalized Pickands constant ${cal H_{eta$ we mean the limit begin{eqnarray* {cal H_{eta= lim_{T to inftyfrac{ {cal H_{eta(T){T, end{eqnarray* where ${cal

  4. A method for calculating the gas volume proportions and inhalation temperature of inert gas mixtures allowing reaching normothermic or hypothermic target body temperature in the awake rat

    Directory of Open Access Journals (Sweden)

    Jacques H Abraini

    2017-01-01

    Full Text Available The noble gases xenon (Xe and helium (He are known to possess neuroprotective properties. Xe is considered the golden standard neuroprotective gas. However, Xe has a higher molecular weight and lower thermal conductivity and specific heat than those of nitrogen, the main diluent of oxygen (O2 in air, conditions that could impair or at least reduce the intrinsic neuroprotective properties of Xe by increasing the critical care patient's respiratory workload and body temperature. In contrast, He has a lower molecular weight and higher thermal conductivity and specific heat than those of nitrogen, but is unfortunately far less potent than Xe at providing neuroprotection. Therefore, combining Xe with He could allow obtaining, depending on the gas inhalation temperature and composition, gas mixtures with neutral or hypothermic properties, the latter being advantageous in term of neuroprotection. However, calculating the thermal properties of a mixture, whatever the substances – gases, metals, rubbers, etc. – is not trivial. To answer this question, we provide a graphical method to assess the volume proportions of Xe, He and O2 that a gas mixture should contain, and the inhalation temperature to which it should be administered to allow a clinician to maintain the patient at a target body temperature.

  5. Comparative changes in plasma protein concentration, hematocrit and plasma volume during exercise, bedrest and + Gz acceleration.

    Science.gov (United States)

    Van Beaumont, W.; Greenleaf, J. E.

    1972-01-01

    Discussion of experiments which indicate that under conditions of a constant red cell volume the proportional changes in hematocrit and plasma volume during exercise are never equal. On the basis of direct measurements and calculated changes of plasma volume it is concluded that during maximal exercise there is a small loss of protein from the plasma. It is clear that changes in content of blood constituents can only be evaluated correctly after determination of changes in plasma volume.

  6. Rate Constant for the Reaction CH3 + CH3 Yields C2H6 at T = 155 K and Model Calculation of the CH3 Abundance in the Atmospheres of Saturn and Neptune

    Science.gov (United States)

    Cody, Regina J.; Romani, Paul N.; Nesbitt, Fred L.; Iannone, Mark A.; Tardy, Dwight C.; Stief, Louis J.

    2003-01-01

    The column abundances of CH3 observed by the Infrared Space Observatory (ISO) satellite on Saturn and Neptune were lower than predicted by atmospheric photochemical models, especially for Saturn. It has been suggested that the models underestimated the loss of CH3 due to poor knowledge of the rate constant k of the CH3 + CH3 self-reaction at the low temperatures and pressures of these atmospheres. Motivated by this suggestion, we undertook a combined experimental and photochemical modeling study of the CH3 + CH3 reaction and its role in determining planetary CH3 abundances. In a discharge flow-mass spectrometer system, k was measured at T = 155 K and three pressures of He. The results in units of cu cm/molecule/s are k(0.6 Torr) = 6.82 x 10(exp -11), k(1.0 Torr) = 6.98 x 10(exp -11), and k(1.5 Torr) = 6.91 x 10(exp -11). Analytical expressions for k were derived that (1) are consistent with the present laboratory data at T = 155 K, our previous data at T = 202 K and 298 K, and those of other studies in He at T = 296-298 K and (2) have some theoretical basis to provide justification for extrapolation. The derived analytical expressions were then used in atmospheric photochemical models for both Saturn and Neptune. These model results reduced the disparity with observations of Saturn, but not with observations of Neptune. However, the disparity for Neptune is much smaller. The solution to the remaining excess CH3 prediction in the models relative to the ISO observations lies, to a large extent, elsewhere in the CH3 photochemistry or transport, not in the CH3 + CH3 rate.

  7. Deconstructing the Cosmological Constant

    CERN Document Server

    Jejjala, V; Minic, D; Jejjala, Vishnu; Leigh, Robert G.; Minic, Djordje

    2003-01-01

    Deconstruction provides a novel way of dealing with the notoriously difficult ultraviolet problems of four-dimensional gravity. This approach also naturally leads to a new perspective on the holographic principle, tying it to the fundamental requirements of unitarity and diffeomorphism invariance, as well as to a new viewpoint on the cosmological constant problem. The numerical smallness of the cosmological constant is implied by a unique combination of holography and supersymmetry, opening a new window into the fundamental physics of the vacuum.

  8. Beyond the Hubble Constant

    Science.gov (United States)

    1995-08-01

    about the distances to galaxies and thereby about the expansion rate of the Universe. A simple way to determine the distance to a remote galaxy is by measuring its redshift, calculate its velocity from the redshift and divide this by the Hubble constant, H0. For instance, the measured redshift of the parent galaxy of SN 1995K (0.478) yields a velocity of 116,000 km/sec, somewhat more than one-third of the speed of light (300,000 km/sec). From the universal expansion rate, described by the Hubble constant (H0 = 20 km/sec per million lightyears as found by some studies), this velocity would indicate a distance to the supernova and its parent galaxy of about 5,800 million lightyears. The explosion of the supernova would thus have taken place 5,800 million years ago, i.e. about 1,000 million years before the solar system was formed. However, such a simple calculation works only for relatively ``nearby'' objects, perhaps out to some hundred million lightyears. When we look much further into space, we also look far back in time and it is not excluded that the universal expansion rate, i.e. the Hubble constant, may have been different at earlier epochs. This means that unless we know the change of the Hubble constant with time, we cannot determine reliable distances of distant galaxies from their measured redshifts and velocities. At the same time, knowledge about such change or lack of the same will provide unique information about the time elapsed since the Universe began to expand (the ``Big Bang''), that is, the age of the Universe and also its ultimate fate. The Deceleration Parameter q0 Cosmologists are therefore eager to determine not only the current expansion rate (i.e., the Hubble constant, H0) but also its possible change with time (known as the deceleration parameter, q0). Although a highly accurate value of H0 has still not become available, increasing attention is now given to the observational determination of the second parameter, cf. also the Appendix at the

  9. Elastic constants of calcite

    Science.gov (United States)

    Peselnick, L.; Robie, R.A.

    1962-01-01

    The recent measurements of the elastic constants of calcite by Reddy and Subrahmanyam (1960) disagree with the values obtained independently by Voigt (1910) and Bhimasenachar (1945). The present authors, using an ultrasonic pulse technique at 3 Mc and 25??C, determined the elastic constants of calcite using the exact equations governing the wave velocities in the single crystal. The results are C11=13.7, C33=8.11, C44=3.50, C12=4.82, C13=5.68, and C14=-2.00, in units of 1011 dyncm2. Independent checks of several of the elastic constants were made employing other directions and polarizations of the wave velocities. With the exception of C13, these values substantially agree with the data of Voigt and Bhimasenachar. ?? 1962 The American Institute of Physics.

  10. The Fine Structure Constant

    Indian Academy of Sciences (India)

    IAS Admin

    electromagnetic force between subatomic charged parti- cles, and essentially determines how an atom holds to- gether its electrons. It is however not obvious why this constant has this ..... about α in 1948: “The theoretical interpretation of its numerical value is one of the most important unsolved problems of atomic physics.”

  11. Integrated system for production of neutronics and photonics calculational constants. Volume 15, Part D, Rev. 1. The LLL Evaluated Nuclear Data Library (ENDL): descriptions of individual evaluations for Z = 0--98

    Energy Technology Data Exchange (ETDEWEB)

    Howerton, R.J.; MacGregor, M.H.

    1978-05-17

    Descriptions of evaluated nuclear data sets for 86 isotopes in the range Z = 0 to 98 are presented. The evaluation procedures that were used are discussed. At the beginning of the discussion for each individual isotope, a computer-generated listing is given which summarizes the main properties of the data sets that are contained in the evaluation.

  12. The Hubble Constant.

    Science.gov (United States)

    Jackson, Neal

    2015-01-01

    I review the current state of determinations of the Hubble constant, which gives the length scale of the Universe by relating the expansion velocity of objects to their distance. There are two broad categories of measurements. The first uses individual astrophysical objects which have some property that allows their intrinsic luminosity or size to be determined, or allows the determination of their distance by geometric means. The second category comprises the use of all-sky cosmic microwave background, or correlations between large samples of galaxies, to determine information about the geometry of the Universe and hence the Hubble constant, typically in a combination with other cosmological parameters. Many, but not all, object-based measurements give H0 values of around 72-74 km s(-1) Mpc(-1), with typical errors of 2-3 km s(-1) Mpc(-1). This is in mild discrepancy with CMB-based measurements, in particular those from the Planck satellite, which give values of 67-68 km s(-1) Mpc(-1) and typical errors of 1-2 km s(-1) Mpc(-1). The size of the remaining systematics indicate that accuracy rather than precision is the remaining problem in a good determination of the Hubble constant. Whether a discrepancy exists, and whether new physics is needed to resolve it, depends on details of the systematics of the object-based methods, and also on the assumptions about other cosmological parameters and which datasets are combined in the case of the all-sky methods.

  13. Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide

    DEFF Research Database (Denmark)

    Kjær, Hanna; Nielsen, Monia R.; Pagola, Gabriel I.

    2012-01-01

    In this paper we present the so far most extended investigation of the calculation of the coupling constant polarizability of a molecule. The components of the coupling constant polarizability are derivatives of the NMR indirect nuclear spin-spin coupling constant with respect to an external elec...

  14. Volumetric analysis of lung nodules in computed tomography (CT): comparison of two different segmentation algorithm softwares and two different reconstruction filters on automated volume calculation.

    Science.gov (United States)

    Christe, Andreas; Brönnimann, Alain; Vock, Peter

    2014-02-01

    A precise detection of volume change allows for better estimating the biological behavior of the lung nodules. Postprocessing tools with automated detection, segmentation, and volumetric analysis of lung nodules may expedite radiological processes and give additional confidence to the radiologists. To compare two different postprocessing software algorithms (LMS Lung, Median Technologies; LungCARE®, Siemens) in CT volumetric measurement and to analyze the effect of soft (B30) and hard reconstruction filter (B70) on automated volume measurement. Between January 2010 and April 2010, 45 patients with a total of 113 pulmonary nodules were included. The CT exam was performed on a 64-row multidetector CT scanner (Somatom Sensation, Siemens, Erlangen, Germany) with the following parameters: collimation, 24x1.2 mm; pitch, 1.15; voltage, 120 kVp; reference tube current-time, 100 mAs. Automated volumetric measurement of each lung nodule was performed with the two different postprocessing algorithms based on two reconstruction filters (B30 and B70). The average relative volume measurement difference (VME%) and the limits of agreement between two methods were used for comparison. At soft reconstruction filters the LMS system produced mean nodule volumes that were 34.1% (P LMS and 1.6% for LungCARE®, respectively (both with P LMS measured greater volumes with both filters, 13.6% for soft and 3.8% for hard filters, respectively (P  0.05). There is a substantial inter-software (LMS/LungCARE®) as well as intra-software variability (B30/B70) in lung nodule volume measurement; therefore, it is mandatory to use the same equipment with the same reconstruction filter for the follow-up of lung nodule volume.

  15. The Hubble Constant

    Directory of Open Access Journals (Sweden)

    Neal Jackson

    2015-09-01

    Full Text Available I review the current state of determinations of the Hubble constant, which gives the length scale of the Universe by relating the expansion velocity of objects to their distance. There are two broad categories of measurements. The first uses individual astrophysical objects which have some property that allows their intrinsic luminosity or size to be determined, or allows the determination of their distance by geometric means. The second category comprises the use of all-sky cosmic microwave background, or correlations between large samples of galaxies, to determine information about the geometry of the Universe and hence the Hubble constant, typically in a combination with other cosmological parameters. Many, but not all, object-based measurements give H_0 values of around 72–74 km s^–1 Mpc^–1, with typical errors of 2–3 km s^–1 Mpc^–1. This is in mild discrepancy with CMB-based measurements, in particular those from the Planck satellite, which give values of 67–68 km s^–1 Mpc^–1 and typical errors of 1–2 km s^–1 Mpc^–1. The size of the remaining systematics indicate that accuracy rather than precision is the remaining problem in a good determination of the Hubble constant. Whether a discrepancy exists, and whether new physics is needed to resolve it, depends on details of the systematics of the object-based methods, and also on the assumptions about other cosmological parameters and which datasets are combined in the case of the all-sky methods.

  16. Spaces of constant curvature

    CERN Document Server

    Wolf, Joseph A

    2010-01-01

    This book is the sixth edition of the classic Spaces of Constant Curvature, first published in 1967, with the previous (fifth) edition published in 1984. It illustrates the high degree of interplay between group theory and geometry. The reader will benefit from the very concise treatments of riemannian and pseudo-riemannian manifolds and their curvatures, of the representation theory of finite groups, and of indications of recent progress in discrete subgroups of Lie groups. Part I is a brief introduction to differentiable manifolds, covering spaces, and riemannian and pseudo-riemannian geomet

  17. Note: Determination of torsional spring constant of atomic force microscopy cantilevers: Combining normal spring constant and classical beam theory

    DEFF Research Database (Denmark)

    Álvarez-Asencio, R.; Thormann, Esben; Rutland, M.W.

    2013-01-01

    A technique has been developed for the calculation of torsional spring constants for AFM cantilevers based on the combination of the normal spring constant and plate/beam theory. It is easy to apply and allow the determination of torsional constants for stiff cantilevers where the thermal power...

  18. Calculation of absorbed doses in sphere volumes around the Mammosite using the Monte Carlo simulation code MCNPX; Calculo de dosis absorbida en volumenes esfericos alrededor del Mammosite utilizando el codigo de simulacion Monte Carlo MCNPX

    Energy Technology Data Exchange (ETDEWEB)

    Rojas C, E. L. [ININ, Carretera Mexico-Toluca s/n, Ocoyoacac 52750, Estado de Mexico (Mexico)

    2008-07-01

    The objective of this study is to investigate the changes observed in the absorbed doses in mammary gland tissue when irradiated with a equipment of high dose rate known as Mammosite and introducing material resources contrary to the tissue that constitutes the mammary gland. The modeling study is performed with the code MCNPX, 2005 version, the equipment and the mammary gland and calculating the absorbed doses in tissue when introduced small volumes of air or calcium in the system. (Author)

  19. Cálculo do volume de sangue necessário para a correção da anemia fetal em gestantes isoimunizadas Blood volume calculation required for the correction of fetal anemia in pregnant women with alloimmunization

    Directory of Open Access Journals (Sweden)

    Mônica Deolindo Santiago

    2008-04-01

    Full Text Available OBJETIVO: obter uma equação capaz de estimar o volume de concentrado de hemácias a ser infundido para correção da anemia em fetos de gestantes portadoras de isoimunização pelo fator Rh, baseado em parâmetros alcançados durante a cordocentese prévia à transfusão intra-uterina. MÉTODOS: em estudo transversal, foram analisadas 89 transfusões intra-uterinas para correção de anemia em 48 fetos acompanhados no Centro de Medicina Fetal do Hospital das Clínicas da Universidade Federal de Minas Gerais. A idade gestacional mediana, no momento da cordocentese, foi de 29 semanas e a média de procedimentos por feto foi de 2,1. A hemoglobina fetal foi dosada antes e após a cordocentese, sendo verificado o volume de concentrado de hemácias transfundido. Para determinação de uma fórmula para estimar o volume sanguíneo necessário para correção da anemia fetal, tomou-se como base o volume necessário para elevar em 1 g% a hemoglobina fetal (diferença entre a concentração de hemoglobina final e a inicial, dividida pelo volume transfundido e o volume de quanto seria necessário para se atingir 14 g%, em análise de regressão múltipla. RESULTADOS: a concentração da hemoglobina pré-transfusional variou entre 2,3 e 15,7 g%. A prevalência de anemia fetal (HbPURPOSE: to obtain an equation to estimate the volume of red blood cells concentrate to be infused to correct anemia in fetuses of pregnant women with Rh factor isoimmunization, based in parameters obtained along the cordocentesis previous to intrauterine transfusion. METHODS: a transversal study analyzing 89 intrauterine transfusions to correct anemia in 48 fetuses followed-up in the Centro de Medicina Fetal do Hospital das Clínicas da Universidade de Minas Gerais. The median gestational age at the cordocentesis was 29 weeks and the average number of procedures was 2.1. Fetal hemoglobin was assayed before and after cordocentesis, leading to the volume of transfused red blood

  20. Quantum Theory without Planck's Constant

    OpenAIRE

    Ralston, John P.

    2012-01-01

    Planck's constant was introduced as a fundamental scale in the early history of quantum mechanics. We find a modern approach where Planck's constant is absent: it is unobservable except as a constant of human convention. Despite long reference to experiment, review shows that Planck's constant cannot be obtained from the data of Ryberg, Davisson and Germer, Compton, or that used by Planck himself. In the new approach Planck's constant is tied to macroscopic conventions of Newtonian origin, wh...

  1. When constants are important

    Energy Technology Data Exchange (ETDEWEB)

    Beiu, V.

    1997-04-01

    In this paper the authors discuss several complexity aspects pertaining to neural networks, commonly known as the curse of dimensionality. The focus will be on: (1) size complexity and depth-size tradeoffs; (2) complexity of learning; and (3) precision and limited interconnectivity. Results have been obtained for each of these problems when dealt with separately, but few things are known as to the links among them. They start by presenting known results and try to establish connections between them. These show that they are facing very difficult problems--exponential growth in either space (i.e. precision and size) and/or time (i.e., learning and depth)--when resorting to neural networks for solving general problems. The paper will present a solution for lowering some constants, by playing on the depth-size tradeoff.

  2. The Hubble Constant

    Directory of Open Access Journals (Sweden)

    Jackson Neal

    2007-09-01

    Full Text Available I review the current state of determinations of the Hubble constant, which gives the length scale of the Universe by relating the expansion velocity of objects to their distance. In the last 20 years, much progress has been made and estimates now range between 60 and 75 km s^-1 Mpc^-1, with most now between 70 and 75 km s^-1 Mpc^-1, a huge improvement over the factor-of-2 uncertainty which used to prevail. Further improvements which gave a generally agreed margin of error of a few percent rather than the current 10% would be vital input to much other interesting cosmology. There are several programmes which are likely to lead us to this point in the next 10 years.

  3. Conjugate Acid-Base Pairs, Free Energy, and the Equilibrium Constant

    Science.gov (United States)

    Beach, Darrell H.

    1969-01-01

    Describes a method of calculating the equilibrium constant from free energy data. Values of the equilibrium constants of six Bronsted-Lowry reactions calculated by the author's method and by a conventional textbook method are compared. (LC)

  4. FOREWORD: International determination of the Avogadro constant International determination of the Avogadro constant

    Science.gov (United States)

    Massa, Enrico; Nicolaus, Arnold

    2011-04-01

    This issue of Metrologia collects papers about the results of an international research project aimed at the determination of the Avogadro constant, NA, by counting the atoms in a silicon crystal highly enriched with the isotope 28Si. Fifty years ago, Egidi [1] thought about realizing an atomic mass standard. In 1965, Bonse and Hart [2] operated the first x-ray interferometer, thus paving the way to the achievement of Egidi's dream, and soon Deslattes et al [3] completed the first counting of the atoms in a natural silicon crystal. The present project, outlined by Zosi [4] in 1983, began in 2004 by combining the experiences and capabilities of the BIPM, INRIM, IRMM, NIST, NPL, NMIA, NMIJ and PTB. The start signal, ratified by a memorandum of understanding, was a contract for the production of a silicon crystal highly enriched with 28Si. The enrichment process was undertaken by the Central Design Bureau of Machine Building in St Petersburg. Subsequently, a polycrystal was grown in the Institute of Chemistry of High-Purity Substances of the Russian Academy of Sciences in Nizhny Novgorod and a 28Si boule was grown and purified by the Leibniz-Institut für Kristallzüchtung in Berlin. Isotope enrichment made it possible to apply isotope dilution mass spectroscopy, to determine the Avogadro constant with unprecedented accuracy, and to fulfil Egidi's dream. To convey Egidi's 'fantasy' into practice, two 28Si kilogram prototypes shaped as quasi-perfect spheres were manufactured by the Australian Centre for Precision Optics; their isotopic composition, molar mass, mass, volume, density and lattice parameter were accurately determined and their surfaces were chemically and physically characterized at the atomic scale. The paper by Andreas et al reviews the work carried out; it collates all the findings and illustrates how Avogadro's constant was obtained. Impurity concentration and gradients in the enriched crystal were measured by infrared spectroscopy and taken into

  5. Incorporating surface indicators of reservoir permeability into reservoir volume calculations: Application to the Colli Albani caldera and the Central Italy Geothermal Province

    Science.gov (United States)

    Giordano, Guido; De Benedetti, Arnaldo Angelo; Bonamico, Andrea; Ramazzotti, Paolo; Mattei, Massimo

    2014-01-01

    The Quaternary Roman Volcanic Province extends for over 200 km along the Tyrrhenian margin of the Italian peninsula and is composed of several caldera complexes with significant associated geothermal potential. In spite of the massive programs of explorations conducted by the then state-owned ENEL and AGIP companies between the 1970s and 1990s, and the identification of several high enthalpy fields, this resource remains so far unexploited, although it occurs right below the densely populated metropolitan area of Roma capital city. The main reason for this failure is that deep geothermal reservoirs are associated with fractured rocks, the secondary permeability of which has been difficult to predict making the identification of the most productive volumes of the reservoirs and the localisation of productive wells uncertain. As a consequence, almost half of the many exploration deep bore-holes drilled in the area reached a dry target. This work reviews available data and re-assesses the geothermal potential of caldera-related systems in Central Italy, by analysing in detail the case of the Colli Albani caldera system, the closest to Roma capital city. A GIS based approach identifies the most promising reservoir volumes for geothermal exploitation and uses an improved volume method approach for the evaluation of geothermal potential. The approach is based on a three dimensional matrix of georeferenced spatial data; the A axis accounts for the modelling of the depth of the top of the reservoirs based on geophysical and direct data; the B axis accounts for the thermal modelling of the crust (i.e. T with depth) based on measured thermal gradients. Both A and B data are necessary but not sufficient to identify rock volumes actually permeated by geothermal fluids in fractured reservoirs. We discuss the implementation of a C axis that evaluates all surface data indicating permeability in the reservoir and actual geothermal fluid circulation. We consider datasets on: i

  6. Thermodynamic properties derived from the free volume model of liquids

    Science.gov (United States)

    Miller, R. I.

    1974-01-01

    An equation of state and expressions for the isothermal compressibility, thermal expansion coefficient, heat capacity, and entropy of liquids have been derived from the free volume model partition function suggested by Turnbull. The simple definition of the free volume is used, and it is assumed that the specific volume is directly related to the cube of the intermolecular separation by a proportionality factor which is found to be a function of temperature and pressure as well as specific volume. When values of the proportionality factor are calculated from experimental data for real liquids, it is found to be approximately constant over ranges of temperature and pressure which correspond to the dense liquid phase. This result provides a single-parameter method for calculating dense liquid thermodynamic properties and is consistent with the fact that the free volume model is designed to describe liquids near the solidification point.

  7. Path-dependent variational effects and multidimensional tunneling in multi-path variational transition state theory: rate constants calculated for the reactions of HO2 with tert-butanol by including all 46 paths for abstraction at C and all six paths for abstraction at O.

    Science.gov (United States)

    Bao, Junwei Lucas; Sripa, Pattrawan; Truhlar, Donald G

    2016-01-14

    Multi-path variational transition state theory (MP-VTST) provides a conformationally complete framework for calculating gas-phase rate constants. For reactions in which the transition state has distinguishable torsional minima (which include most reactions), there are multiple possible reaction paths. In principle MP-VTST includes the contributions from all the reaction paths, and it should explicitly treat the variational and tunneling effects of each path, but in practice one may need to truncate the number of paths included in MP-VTST calculations in order to achieve a balance between computational cost and accuracy. In this work, we present calculations including all paths for two prototype combustion reactions, namely the two hydrogen abstraction reactions from tert-butanol by HO2 radical. For both reactions we included all the reaction paths. Since abstraction at C has 46 paths, it provided a good opportunity to carry out a case study in which we investigated the errors introduced by truncating the number of paths. For the reaction studied, we found that the variational and multidimensional tunneling transmission coefficients are very different for different reaction paths, which provides new evidence that MP-VTST is necessary for treating path-dependent variational effects and multidimensional tunneling. We found that tunneling transmission coefficients can be much larger for higher-energy paths than for lower-energy ones. Interestingly, the simple hypothesis that higher barriers are narrower does not explain this finding in the present case; we found instead that the effect is due to higher-energy barriers having the possibility of tunneling at energies farther below the barrier top. We also show that a previously applied criterion for judging convergence with respect to the number of paths may not be reliable at low temperature.

  8. Impact of the Implementation of ESA 2010 on Volume Measurement

    Directory of Open Access Journals (Sweden)

    Petr Musil

    2016-06-01

    Full Text Available Volume indices are connected with statistical deflation that means recalculation of macro-aggregates to constant prices. Price calculations have to follow changes in definition or delineation of macro-aggregates. New standards of National Accounts (SNA 2008, ESA 2010 respectively bring many changes that should be taken into account in volume measures. The aim of this paper is to present new methods of deflation that respekt updated definitions and principles. Concept of foreign trade has been changed significantly as globalization is going faster and faster. Re-export and merchanting have become more important especially in small open economies such as the Czech Republic. This phenomenon should be reflected in constant prices calculations. Changes in methodology have also affected volume indices.

  9. Determination of the optimal statistical uncertainty to perform electron-beam Monte Carlo absorbed dose estimation in the target volume; Determination de l'incertitude statistique optimale pour realiser un calcul de dose dans le volume cible en utilisant la methode de Monte Carlo

    Energy Technology Data Exchange (ETDEWEB)

    Isambert, A.; Lefkopoulos, D. [Institut Gustave-Roussy, Medical Physics Dept., 94 - Villejuif (France); Brualla, L. [NCTeam, Strahlenklinik, Universitatsklinikum Essen (Germany); Benkebil, M. [DOSIsoft, 94 - Cachan (France)

    2010-04-15

    Purpose of study Monte Carlo based treatment planning system are known to be more accurate than analytical methods for performing absorbed dose estimation, particularly in and near heterogeneities. However, the required computation time can still be an issue. The present study focused on the determination of the optimum statistical uncertainty in order to minimise computation time while keeping the reliability of the absorbed dose estimation in treatments planned with electron-beams. Materials and methods Three radiotherapy plans (medulloblastoma, breast and gynaecological) were used to investigate the influence of the statistical uncertainty of the absorbed dose on the target volume dose-volume histograms (spinal cord, intra-mammary nodes and pelvic lymph nodes, respectively). Results The study of the dose-volume histograms showed that for statistical uncertainty levels (1 S.D.) above 2 to 3%, the standard deviation of the mean dose in the target volume calculated from the dose-volume histograms increases by at least 6%, reflecting the gradual flattening of the dose-volume histograms. Conclusions This work suggests that, in clinical context, Monte Carlo based absorbed dose estimations should be performed with a maximum statistical uncertainty of 2 to 3%. (authors)

  10. Neutronics Benchmarks for the Utilization of Mixed-Oxide Fuel: Joint U.S./Russian Progress Report for Fiscal Year 1997 Volume 2-Calculations Performed in the United States

    Energy Technology Data Exchange (ETDEWEB)

    Primm III, RT

    2002-05-29

    This volume of the progress report provides documentation of reactor physics and criticality safety studies conducted in the US during fiscal year 1997 and sponsored by the Fissile Materials Disposition Program of the US Department of Energy. Descriptions of computational and experimental benchmarks for the verification and validation of computer programs for neutron physics analyses are included. All benchmarks include either plutonium, uranium, or mixed uranium and plutonium fuels. Calculated physics parameters are reported for all of the computational benchmarks and for those experimental benchmarks that the US and Russia mutually agreed in November 1996 were applicable to mixed-oxide fuel cycles for light-water reactors.

  11. Development of a computer code for calculating the steady super/hypersonic inviscid flow around real configurations. Volume 1: Computational technique

    Science.gov (United States)

    Marconi, F.; Salas, M.; Yaeger, L.

    1976-01-01

    A numerical procedure has been developed to compute the inviscid super/hypersonic flow field about complex vehicle geometries accurately and efficiently. A second order accurate finite difference scheme is used to integrate the three dimensional Euler equations in regions of continuous flow, while all shock waves are computed as discontinuities via the Rankine Hugoniot jump conditions. Conformal mappings are used to develop a computational grid. The effects of blunt nose entropy layers are computed in detail. Real gas effects for equilibrium air are included using curve fits of Mollier charts. Typical calculated results for shuttle orbiter, hypersonic transport, and supersonic aircraft configurations are included to demonstrate the usefulness of this tool.

  12. Using an internal standard method to determine Henry's law constants.

    Science.gov (United States)

    Ji, Chang; Evans, Emily M

    2007-02-01

    An internal standard method is developed for the measurement of thermodynamic Henry's law constants (H). In this method, a mixture of the analytes and an internal standard is prepared and used to make a standard solution (organic solvent) and a dilute aqueous solution. Both the standard solution and the headspace samples above the aqueous solution at partitioning equilibrium in closed containers are subject to gas chromatographic (GC) analysis. Subsequently, the values of H for the analytes can be calculated from the known H of the internal standard and the GC peak-area ratios. Only approximate values of the concentrations of the compounds, the GC injection volumes, and the vapor-phase to liquid-phase volume ratios in the closed containers are needed in this approach. The method works particularly well for compounds that are highly soluble in water or that have low vapor pressures. Experimentally determined values of H are reported for some low-molecular-weight aldehydes, ketones, and nitriles, and their temperature dependencies are examined. The results also are compared with literature values. The applicability of this new approach is limited to compounds that have dimensionless H on the order of 10(-3) or less.

  13. DosedPet application for Nuclear Medicine: Calculation of the volume of medication needed for PET/CT patient; Aplicativo DosedPet para uso em Medicina Nuclear: calculo do volume de medicamento necessario para paciente de PET/CT

    Energy Technology Data Exchange (ETDEWEB)

    Nascimento, Pedro Augusto do; Rodrigues, Araken dos S. Werneck, E-mail: pedroan88@gmail.com [Universidade de Brasilia (UnB), DF (Brazil). Programa de Pos Graduacao em Ciencias e Tecnologias em Saude

    2016-07-01

    This paper presents the application (APP) DosePet that calculates the amount of medicament for PET / CT in patients according to the predetermined radiation dose. The software has been designed using the web MIT App Inventor2 tool for Android platform. The application allows the workers to simulate the amount of radiation still existing in the facilities after the applications, increasing security and reducing exposures, and enable greater efficiency in the use of the radiopharmaceutical. (author)

  14. The relative volume growth of minimal submanifolds

    DEFF Research Database (Denmark)

    Markvorsen, Steen; Palmer, V.

    2002-01-01

    The volume growth of certain well-defined subsets of minimal submanifolds in riemannian spaces are compared with the volume growth of balls and spheres ill space forms of constant curvature.......The volume growth of certain well-defined subsets of minimal submanifolds in riemannian spaces are compared with the volume growth of balls and spheres ill space forms of constant curvature....

  15. Development of a computer code for calculating the steady super/hypersonic inviscid flow around real configurations. Volume 2: Code description

    Science.gov (United States)

    Marconi, F.; Yaeger, L.

    1976-01-01

    A numerical procedure was developed to compute the inviscid super/hypersonic flow field about complex vehicle geometries accurately and efficiently. A second-order accurate finite difference scheme is used to integrate the three-dimensional Euler equations in regions of continuous flow, while all shock waves are computed as discontinuities via the Rankine-Hugoniot jump conditions. Conformal mappings are used to develop a computational grid. The effects of blunt nose entropy layers are computed in detail. Real gas effects for equilibrium air are included using curve fits of Mollier charts. Typical calculated results for shuttle orbiter, hypersonic transport, and supersonic aircraft configurations are included to demonstrate the usefulness of this tool.

  16. Declination Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Declination is calculated using the current International Geomagnetic Reference Field (IGRF) model. Declination is calculated using the current World Magnetic Model...

  17. A Priori Probability Distribution of the Cosmological Constant

    OpenAIRE

    Weinberg, Steven

    2000-01-01

    In calculations of the probability distribution for the cosmological constant, it has been previously assumed that the a priori probability distribution is essentially constant in the very narrow range that is anthropically allowed. This assumption has recently been challenged. Here we identify large classes of theories in which this assumption is justified.

  18. Measuring the gravitational constant in a university laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Stepanov, Nikolai S; Shisharin, Alexandr V [N.I. Lobachevskii Nizhnii Novgorod State University, Nizhnii Novgorod (Russian Federation)

    2002-05-31

    A setup for measuring gravitational constant in a university laboratory is described. The setup includes a torsion pendulum which swings under the action of gravitational attraction from test masses whose positions are made to change periodically in phase with pendulum oscillations by a special device. The gravity constant is calculated from the amplitude of steady-state oscillations. The experimental and calculation procedure is described and measurement errors are estimated. (methodological notes)

  19. Determination of the Equilibrium Constants of a Weak Acid: An Experiment for Analytical or Physical Chemistry

    Science.gov (United States)

    Bonham, Russell A.

    1998-05-01

    A simple experiment, utilizing readily available equipment and chemicals, is described. It allows students to explore the concepts of chemical equilibria, nonideal behavior of aqueous solutions, least squares with adjustment of nonlinear model parameters, and errors. The relationship between the pH of a solution of known initial concentration and volume of a weak acid as it is titrated by known volumes of a monohydroxy strong base is developed rigorously assuming ideal behavior. A distinctive feature of this work is a method that avoids dealing with the problems presented by equations with multiple roots. The volume of base added is calculated in terms of a known value of the pH and the equilibrium constants. The algebraic effort involved is nearly the same as the alternative of deriving a master equation for solving for the hydrogen ion concentration or activity and results in a more efficient computational algorithm. This approach offers two advantages over the use of computer software to solve directly for the hydrogen ion concentration. First, it avoids a potentially lengthy iterative procedure encountered when the polynomial exceeds third order in the hydrogen ion concentration; and second, it provides a means of obtaining results with a hand calculator that can prove useful in checking computer code. The approach is limited to weak solutions to avoid dealing with molalities and to insure that the Debye-Hückel limiting law is applicable. The nonlinear least squares algorithm Nonlinear Fit, found in the computational mathematics library Mathematica, is utilized to fit the measured volume of added base to the calculated value as a function of the measured pH subject to variation of all the equilibrium constants as parameters (including Kw). The experiment emphasizes both data collection and data analysis aspects of the problem. Data for the titration of phosphorous acid, H3PO3, by NaOH are used to illustrate the approach. Fits of the data without corrections

  20. Critical experiments analysis by ABBN-90 constant system

    Energy Technology Data Exchange (ETDEWEB)

    Tsiboulia, A.; Nikolaev, M.N.; Golubev, V. [Institute of Physics and Power Engineering, Obninsk (Russian Federation)] [and others

    1997-06-01

    The ABBN-90 is a new version of the well-known Russian group-constant system ABBN. Included constants were calculated based on files of evaluated nuclear data from the BROND-2, ENDF/B-VI, and JENDL-3 libraries. The ABBN-90 is intended for the calculation of different types of nuclear reactors and radiation shielding. Calculations of criticality safety and reactivity accidents are also provided by using this constant set. Validation of the ABBN-90 set was made by using a computerized bank of evaluated critical experiments. This bank includes the results of experiments conducted in Russia and abroad of compact spherical assemblies with different reflectors, fast critical assemblies, and fuel/water-solution criticalities. This report presents the results of the calculational analysis of the whole collection of critical experiments. All calculations were produced with the ABBN-90 group-constant system. Revealed discrepancies between experimental and calculational results and their possible reasons are discussed. The codes and archives INDECS system is also described. This system includes three computerized banks: LEMEX, which consists of evaluated experiments and their calculational results; LSENS, which consists of sensitivity coefficients; and LUND, which consists of group-constant covariance matrices. The INDECS system permits us to estimate the accuracy of neutronics calculations. A discussion of the reliability of such estimations is finally presented. 16 figs.

  1. The specific gamma-ray constant and exposure rate constant of 182Ta.

    Science.gov (United States)

    Glasgow, G P; Dillman, L T

    1982-01-01

    Reported values of the specific gamma-ray constant gamma for 182Ta range from the original value of 6.1 to 7.692 R cm2h-1mCi-1, recommended in NCRP Report No. 41. The original calculation of gamma was based on inadequate nuclear spectroscopy and decay scheme data. The higher value of gamma occurs because of a computational error in the relative intensity of the 1.2575-MeV gamma ray. Using nuclear spectroscopy data from the most recent Evaluated Nuclear Data File (ENSDF), gamma is calculated to be 6.71 +/- 0.06 R cm2h-1mCi-1 and the exposure rate constant gamma gamma is 6.87 +/- 0.06 R cm2h-1mCi-1. These new calculations are presented and previously reported values of gamma and gamma gamma are reviewed.

  2. Spectrophotometric determination of association constant

    DEFF Research Database (Denmark)

    2016-01-01

    Least-squares 'Systematic Trial-and-Error Procedure' (STEP) for spectrophotometric evaluation of association constant (equilibrium constant) K and molar absorption coefficient E for a 1:1 molecular complex, A + B = C, with error analysis according to Conrow et al. (1964). An analysis of the Charge...

  3. Combustion characteristics of stratified mixture. 1st Report. Measurement of mixture distribution in a constant-volume combustion chamber using laser-induced NO2 fluorescence; Sojo kongoki no nensho tokusei ni kansuru kenkyu. 1. Laser reiki NO2 keikoho ni yoru teiyo nenshokinai kongoki bunpu no keisoku

    Energy Technology Data Exchange (ETDEWEB)

    Fujimoto, M.; Nishida, K.; Hiroyasu, H. [Hiroshima University, Hiroshima (Japan). Faculty of Engineering; Tabata, M. [Mazda Motor Corp., Hiroshima (Japan)

    1996-06-25

    Laser-induced fluorescence from nitrogen dioxide (NO2) as gas fuel tracer was applied to determine mixture stratification in a pancake-type constant-volume combustion chamber using propane and hydrogen fuels. The second-harmonic output of a pulsed Nd: YAG laser was used as a light source for fluorescence excitation. The fluorescence images were corrected by a gated image-intensified CCD camera. The quantitative analysis of fuel concentration was made possible by the application of linearity between fluorescence intensity and NO2 concentration at a low trace level. The stratified mixture (center-rich or center-lean) was concentrically formed in the central region of the chamber by a jet flow from a tangentially oriented port. The concentration difference in the radial direction of the chamber decreased with time from the start of injection. The rate of decrease was faster for hydrogen than for propane. After 300 ms from start of injection, however, the time histories of the concentration difference were nearly constant for both fuels regardless of overall concentration. 10 refs., 16 figs., 1 tab.

  4. Dielectric properties of polyimide/SiO{sub 2} hollow spheres composite films with ultralow dielectric constant

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Zhou, E-mail: hongzhou@hrbust.edu.cn [School of Materials Science and Engineering, Harbin University of Science and Technology, Harbin 150040 (China); Key Laboratory of Engineering Dielectrics and its Application Ministry of Education, Harbin University of Science and Technology, Harbin 150040 (China); Dongyang, Wei; Yong, Fan; Hao, Chen; Yusen, Yang; Jiaojiao, Yu; Liguo, Jin [School of Materials Science and Engineering, Harbin University of Science and Technology, Harbin 150040 (China)

    2016-01-15

    Highlights: • Polyimide/silica hollow spheres films with ultralow dielectric constant were obtained. • Smaller nanoscale silica hollow spheres were uniformly distributed in the polymer matrix. • Air volume content in the hybrid composite films was calculated. - Abstract: In this study, polyimide (PI)/SiO{sub 2} hollow spheres (SHS) composite films were prepared by incorporating different contents of 20–50 nm sized SHS into PI derived from pyromellitic dianhydride (PMDA) and 4,4′-oxydianiline (ODA). The dielectric constant of the PI films was reduced from 3.41 to 2.09 for a hybrid film containing 10 wt.% SHS. When the content of SHS was >10 wt.%, the dielectric constant increased due to the aggregation of the SHS. The ultralow dielectric constant could be attributed to the presence of air voids within the structure of SHS itself as well as the air between the PI matrix and the SHS. Furthermore, the air content in the PI/SHS composite films was calculated by Bruggeman's Effective Medium Theory. The PI/SHS composite films with ultralow dielectric constant and low dielectric loss can be considered as good candidate for advanced dielectric materials.

  5. Experimental determination of the effective strong coupling constant

    Energy Technology Data Exchange (ETDEWEB)

    Alexandre Deur; Volker Burkert; Jian-Ping Chen; Wolfgang Korsch

    2007-07-01

    We extract an effective strong coupling constant from low Q{sup 2} data on the Bjorken sum. Using sum rules, we establish its Q{sup 2}-behavior over the complete Q{sup 2}-range. The result is compared to effective coupling constants extracted from different processes and to calculations based on Schwinger-Dyson equations, hadron spectroscopy or lattice QCD. Although the connection between the experimentally extracted effective coupling constant and the calculations is not clear, the results agree surprisingly well.

  6. Thermodynamic binding constants for gallium transferrin

    Energy Technology Data Exchange (ETDEWEB)

    Harris, W.R.; Pecoraro, V.L.

    1983-01-18

    Gallium-67 is widely used as an imaging agent for tumors and inflammatory abscesses. It is well stablished that Ga/sup 3 +/ travels through the circulatory system bound to the serum iron transport protein transferrin and that this protein binding is an essential step in tumor localization. However, there have been conflicting reports on the magnitude of the gallium-transferrin binding constants. Therefore, thermodynamic binding constants for gallium complexation at the two specific metal binding sites of human serum transferrin at pH 7.4 and 5 mM NaHCO/sub 3/ have been determined by UV difference spectroscopy. The conditional constants calculated for 27 mM NaHCO/sub 3/ are log K/sub 1/* = 20.3 and log K/sub 2/* = 19.3. These results are discussed in relation to the thermodynamics of transferrin binding of Fe/sup 3 +/ and to previous reports on gallium binding. The strength of transferrin complexation is also compared to that of a series of low molecular weight ligands by using calculated pM values (pM = -log (Ga(H/sub 2/O)/sub 6/)) to express the effective binding strength at pH 7.4.

  7. Distribution of adhesion rate constant in the coal sample

    Directory of Open Access Journals (Sweden)

    Marian Brožek

    2005-11-01

    Full Text Available Flotation is the process of enrichment which consists in differentiating the useful component (volume property in the separation products. Flotation leads to the differentiation of the volume property by means of applying the differentiation of surface properties. Since there is a correlation between these properties, the authors determined the distribution of adhesion rate constant in relation with the content of the useful component and applying the dispersive model of a particle. The content of the useful component is directly connected with the volume physical property, represented by particle density. The paper present distribution functions of density and adhesion rate constant in the sample. Also the relation between adhesion rate constant and ash content for narrow density fractions has been revealed.

  8. Pion decay constants in dense skyrmion matter

    Directory of Open Access Journals (Sweden)

    Lee H.-J.

    2010-10-01

    Full Text Available According to the QCD, the hadronic matter can have various phases with matter density and temperature. In general, when there is phase transition in a matter, it is known that a symmetry in the matter changes. In case of the hadronic matter, the chiral symmetry in the matter is expected to be restored when the matter density (or temperature increases. The actual order parameter with respect to the chiral symmetry in the hadronic matter is known as the quark condensate from the QCD, but the pion decay constant, corresponding to the radius of the chiral circle, plays the role of the order parameter in an effective field theoretical approach to the QCD. In this paper, by using the skyrmion model which is an effective theory to the QCD, we construct the skyrmion matter as a model of the hadronic matter (nuclear matter and calculate the pion decay constant in the matter. Because of presence of the matter, the pion decay constant is split into the two components, the temporal component and the spatial component. We discuss the phase transition in the skyrmion matter and behavior of the two components of the decay constant for massless pion with density of the skyrmion matter.

  9. Computing the Gromov hyperbolicity constant of a discrete metric space

    KAUST Repository

    Ismail, Anas

    2012-07-01

    Although it was invented by Mikhail Gromov, in 1987, to describe some family of groups[1], the notion of Gromov hyperbolicity has many applications and interpretations in different fields. It has applications in Biology, Networking, Graph Theory, and many other areas of research. The Gromov hyperbolicity constant of several families of graphs and geometric spaces has been determined. However, so far, the only known algorithm for calculating the Gromov hyperbolicity constant δ of a discrete metric space is the brute force algorithm with running time O (n4) using the four-point condition. In this thesis, we first introduce an approximation algorithm which calculates a O (log n)-approximation of the hyperbolicity constant δ, based on a layering approach, in time O(n2), where n is the number of points in the metric space. We also calculate the fixed base point hyperbolicity constant δr for a fixed point r using a (max, min)−matrix multiplication algorithm by Duan in time O(n2.688)[2]. We use this result to present a 2-approximation algorithm for calculating the hyper-bolicity constant in time O(n2.688). We also provide an exact algorithm to compute the hyperbolicity constant δ in time O(n3.688) for a discrete metric space. We then present some partial results we obtained for designing some approximation algorithms to compute the hyperbolicity constant δ.

  10. The Handling of Constant Volumes of Various Concentrations of ...

    African Journals Online (AJOL)

    This paper reports on the effects of varying the concentration of sea water dosed at a rate of 10% of body mass on the handling of fluid and solutes by jackass penguins (Spheniscus demersus). The salt gland only secreted when the seawater dosed was hypertonic to the plasma and caused a rise in plasma osmotic ...

  11. THE HANDLING OF CONSTANT VOLUMES OF VARIOUS CONCEN

    African Journals Online (AJOL)

    This paper reports on the effects of varying the concentration of seawater dosed at a rate of 10% of body mass on the hand ling of fluid and solutes by jackass penguins (Spheniscus demersus). The salt gland only secreted when the seawater dosed was hypertonic to the plasma and caused a rise in plasma osmotic ...

  12. High Duty Cycle, Extended Operation Constant Volume Combustion Engine Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The Science Mission Directorate is chartered with answering fundamental questions requiring the view from and into space. Its future direction will be moving away...

  13. THE HANDLING OF CONSTANT VOLUMES OF VARIOUS CONCEN

    African Journals Online (AJOL)

    veins of the flipper where samples were taken. The mean ± S D of the data obtained are presented in Table 3. Dosing with seawater at concentrations considerably exceeding plasma concentrations, ego 40% SW and above, increased the concentration of all plasma components although a large variation and low numbers ...

  14. Constant Volume Combustion Engine for Planetary Ascent Vehicles Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The Mars Sample Return mission is being planned to return samples of Martian rock, regolith, and atmosphere to Earth for scientific analysis. The Martian sample size...

  15. Varying Constants, Gravitation and Cosmology.

    Science.gov (United States)

    Uzan, Jean-Philippe

    2011-01-01

    Fundamental constants are a cornerstone of our physical laws. Any constant varying in space and/or time would reflect the existence of an almost massless field that couples to matter. This will induce a violation of the universality of free fall. Thus, it is of utmost importance for our understanding of gravity and of the domain of validity of general relativity to test for their constancy. We detail the relations between the constants, the tests of the local position invariance and of the universality of free fall. We then review the main experimental and observational constraints that have been obtained from atomic clocks, the Oklo phenomenon, solar system observations, meteorite dating, quasar absorption spectra, stellar physics, pulsar timing, the cosmic microwave background and big bang nucleosynthesis. At each step we describe the basics of each system, its dependence with respect to the constants, the known systematic effects and the most recent constraints that have been obtained. We then describe the main theoretical frameworks in which the low-energy constants may actually be varying and we focus on the unification mechanisms and the relations between the variation of different constants. To finish, we discuss the more speculative possibility of understanding their numerical values and the apparent fine-tuning that they confront us with.

  16. Varying Constants, Gravitation and Cosmology

    Directory of Open Access Journals (Sweden)

    Jean-Philippe Uzan

    2011-03-01

    Full Text Available Fundamental constants are a cornerstone of our physical laws. Any constant varying in space and/or time would reflect the existence of an almost massless field that couples to matter. This will induce a violation of the universality of free fall. Thus, it is of utmost importance for our understanding of gravity and of the domain of validity of general relativity to test for their constancy. We detail the relations between the constants, the tests of the local position invariance and of the universality of free fall. We then review the main experimental and observational constraints that have been obtained from atomic clocks, the Oklo phenomenon, solar system observations, meteorite dating, quasar absorption spectra, stellar physics, pulsar timing, the cosmic microwave background and big bang nucleosynthesis. At each step we describe the basics of each system, its dependence with respect to the constants, the known systematic effects and the most recent constraints that have been obtained. We then describe the main theoretical frameworks in which the low-energy constants may actually be varying and we focus on the unification mechanisms and the relations between the variation of different constants. To finish, we discuss the more speculative possibility of understanding their numerical values and the apparent fine-tuning that they confront us with.

  17. Vacuum Polarisation Tensors in Constant Electromagnetic Fields Part III

    CERN Document Server

    Gies, Holger; Gies, Holger; Schubert, Christian

    2001-01-01

    The string-inspired technique is used for a first calculation of the one-loop axialvector vacuum polarisation in a general constant electromagnetic field. A compact result is reached for the difference between this tensor and the corresponding vector vacuum polarisation. This result is confirmed by a Feynman diagram calculation. Its physical relevance is briefly discussed.

  18. MEMS Calculator

    Science.gov (United States)

    SRD 166 MEMS Calculator (Web, free access)   This MEMS Calculator determines the following thin film properties from data taken with an optical interferometer or comparable instrument: a) residual strain from fixed-fixed beams, b) strain gradient from cantilevers, c) step heights or thicknesses from step-height test structures, and d) in-plane lengths or deflections. Then, residual stress and stress gradient calculations can be made after an optical vibrometer or comparable instrument is used to obtain Young's modulus from resonating cantilevers or fixed-fixed beams. In addition, wafer bond strength is determined from micro-chevron test structures using a material test machine.

  19. Learning Read-constant Polynomials of Constant Degree modulo Composites

    DEFF Research Database (Denmark)

    Chattopadhyay, Arkadev; Gavaldá, Richard; Hansen, Kristoffer Arnsfelt

    2011-01-01

    Boolean functions that have constant degree polynomial representation over a fixed finite ring form a natural and strict subclass of the complexity class \\textACC0ACC0. They are also precisely the functions computable efficiently by programs over fixed and finite nilpotent groups. This class...... is not known to be learnable in any reasonable learning model. In this paper, we provide a deterministic polynomial time algorithm for learning Boolean functions represented by polynomials of constant degree over arbitrary finite rings from membership queries, with the additional constraint that each variable...... in the target polynomial appears in a constant number of monomials. Our algorithm extends to superconstant but low degree polynomials and still runs in quasipolynomial time....

  20. Effective cosmological constant induced by stochastic fluctuations of Newton's constant

    Directory of Open Access Journals (Sweden)

    Marco de Cesare

    2016-09-01

    Full Text Available We consider implications of the microscopic dynamics of spacetime for the evolution of cosmological models. We argue that quantum geometry effects may lead to stochastic fluctuations of the gravitational constant, which is thus considered as a macroscopic effective dynamical quantity. Consistency with Riemannian geometry entails the presence of a time-dependent dark energy term in the modified field equations, which can be expressed in terms of the dynamical gravitational constant. We suggest that the late-time accelerated expansion of the Universe may be ascribed to quantum fluctuations in the geometry of spacetime rather than the vacuum energy from the matter sector.

  1. Elastic constants and Debye temperature of wz-AlN and wz-GaN ...

    Indian Academy of Sciences (India)

    First-principles calculations were performed to study the elastic stiffness constants ( C i j ) and Debye temperature ( D ) of wurzite (wz) AlN and GaN binary semiconductors at high pressure. The lattice constants were calculated from the optimized structure of these materials. The band gaps were calculated at point using ...

  2. Methodology for extracting local constants from petroleum cracking flows

    Science.gov (United States)

    Chang, Shen-Lin; Lottes, Steven A.; Zhou, Chenn Q.

    2000-01-01

    A methodology provides for the extraction of local chemical kinetic model constants for use in a reacting flow computational fluid dynamics (CFD) computer code with chemical kinetic computations to optimize the operating conditions or design of the system, including retrofit design improvements to existing systems. The coupled CFD and kinetic computer code are used in combination with data obtained from a matrix of experimental tests to extract the kinetic constants. Local fluid dynamic effects are implicitly included in the extracted local kinetic constants for each particular application system to which the methodology is applied. The extracted local kinetic model constants work well over a fairly broad range of operating conditions for specific and complex reaction sets in specific and complex reactor systems. While disclosed in terms of use in a Fluid Catalytic Cracking (FCC) riser, the inventive methodology has application in virtually any reaction set to extract constants for any particular application and reaction set formulation. The methodology includes the step of: (1) selecting the test data sets for various conditions; (2) establishing the general trend of the parametric effect on the measured product yields; (3) calculating product yields for the selected test conditions using coupled computational fluid dynamics and chemical kinetics; (4) adjusting the local kinetic constants to match calculated product yields with experimental data; and (5) validating the determined set of local kinetic constants by comparing the calculated results with experimental data from additional test runs at different operating conditions.

  3. Specific gamma-ray constant and exposure rate constant of 192Ir.

    Science.gov (United States)

    Glasgow, G P; Dillman, L T

    1979-01-01

    Calculated values of the 192Ir specific gamma-ray constant, Gamma range from the low value of 3.948 R cm2h-1mCi-1 recommended in NCRP No. 41 to a high of 4.89 R cm2h-1mCi-1. Measured values of Gamma range only from 4.85 to 5.0 Rcm2h-1mCi-1. Discrepancies in reported calculated values exist because the isotope decay scheme and other nuclear spectroscopy data pertinent to these calculations were not well known. Using the 28 gamma rays and relative intensities from the most recent Evaluated Nuclear Structure Data File (ENSDF), Gamma is calculated to be 4.62 +/- 0.05 Rcm2h-1mCi-1 and the exposure rate constant Gamma delta is 4.69 +/- 0.05 Rcm2h-1mCi-1. These new calculations are presented and previously reported values of Gamma and Gamma delta are reviewed.

  4. Systematics of constant roll inflation

    Science.gov (United States)

    Anguelova, Lilia; Suranyi, Peter; Wijewardhana, L. C. R.

    2018-02-01

    We study constant roll inflation systematically. This is a regime, in which the slow roll approximation can be violated. It has long been thought that this approximation is necessary for agreement with observations. However, recently it was understood that there can be inflationary models with a constant, and not necessarily small, rate of roll that are both stable and compatible with the observational constraint ns ≈ 1. We investigate systematically the condition for such a constant-roll regime. In the process, we find a whole new class of inflationary models, in addition to the known solutions. We show that the new models are stable under scalar perturbations. Finally, we find a part of their parameter space, in which they produce a nearly scale-invariant scalar power spectrum, as needed for observational viability.

  5. From the Rydberg constant to the fundamental constants metrology; De la constante de Rydberg a la metrologie des constantes fondamentales

    Energy Technology Data Exchange (ETDEWEB)

    Nez, F

    2005-06-15

    This document reviews the theoretical and experimental achievements of the author since the beginning of his scientific career. This document is dedicated to the spectroscopy of hydrogen, deuterium and helium atoms. The first part is divided into 6 sub-sections: 1) the principles of hydrogen spectroscopy, 2) the measurement of the 2S-nS/nD transitions, 3) other optical frequency measurements, 4) our contribution to the determination of the Rydberg constant, 5) our current experiment on the 1S-3S transition, 6) the spectroscopy of the muonic hydrogen. Our experiments have improved the accuracy of the Rydberg Constant by a factor 25 in 15 years and we have achieved the first absolute optical frequency measurement of a transition in hydrogen. The second part is dedicated to the measurement of the fine structure constant and the last part deals with helium spectroscopy and the search for optical references in the near infrared range. (A.C.)

  6. Mirror QCD and Cosmological Constant

    Directory of Open Access Journals (Sweden)

    Roman Pasechnik

    2017-05-01

    Full Text Available An analog of Quantum Chromo Dynamics (QCD sector known as mirror QCD (mQCD can affect the cosmological evolution due to a non-trivial contribution to the Cosmological Constant analogous to that induced by the ground state in non-perturbative QCD. In this work, we explore a plausible hypothesis for trace anomalies cancellation between the usual QCD and mQCD. Such an anomaly cancellation between the two gauge theories, if it exists in Nature, would lead to a suppression or even elimination of their contributions to the Cosmological Constant. The trace anomaly compensation condition and the form of the non-perturbative mQCD coupling constant in the infrared limit have been proposed by analysing a partial non-perturbative solution of the Einstein–Yang-Mills equations of motion.

  7. The Henry's constant of monochloramine.

    Science.gov (United States)

    Garcia, Miguel A; Anderson, Michael A

    2018-02-01

    Monochloramine is a secondary disinfectant used in drinking water and is also formed in chlorinated wastewater. While known to hydrolyze over time and react with dissolved organic matter, its partitioning between the aqueous and gas phase has not been extensively studied. Preliminary experiments demonstrated that monochloramine concentrations in solutions open to the atmosphere or actively aerated decreased more rapidly than in sealed solutions, indicating significant losses to the atmosphere. For example, a monochloramine solution open to the atmosphere yielded a loss rate constant of 0.08 d-1, a value twice that for sealed samples without headspace (0.04 d-1) where loss occurs exclusively as a result of hydrolysis. A solution aerated at 10 mL s-1 had a loss rate constant nearly 10× greater than that for hydrolysis alone (0.35 d-1). To better understand partitioning of monochloramine to the gas phase and potential for volatilization, the dimensionless Henry's law constants of monochloramine (KH) were determined using an equilibrium headspace technique at five different temperatures (11, 16, 21, 27, and 32 °C). The resulting values ranged from 8 × 10-3 to 4 × 10-2, indicating a semi-volatile compound, and were found to be consistent with quantitative structure activity relationship predictions. At 20 °C, monochloramine exhibits a dimensionless Henry's constant of about 1.7 × 10-2 which is 35 times greater than ammonia but comparable to the Henry's constant of inorganic semi-volatile compounds such sulfur dioxide. The Henry's constant values for monochloramine suggests that volatilization could be a relevant loss process in open systems such as rivers receiving chlorinated wastewater effluent, swimming pools and cooling towers. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. A five-dimensional model of varying fine structure constant

    Indian Academy of Sciences (India)

    dimensional model of varying fine structure constant. J P Mbelek. Cosmology Volume 62 Issue 3 March 2004 pp 741-743. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/pram/062/03/0741-0743 ...

  9. Crystal structure and elastic constants of Dharwar cotton fibre using ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 30; Issue 5. Crystal structure and elastic constants of Dharwar cotton fibre using WAXS data. O M Samir R ... Using this data and employing linked atom least squares (LALS) method, we report here the molecular and crystal structure of these cotton fibres. Employing ...

  10. Constant Proportion Debt Obligations (CPDOs)

    DEFF Research Database (Denmark)

    Cont, Rama; Jessen, Cathrine

    2012-01-01

    Constant Proportion Debt Obligations (CPDOs) are structured credit derivatives that generate high coupon payments by dynamically leveraging a position in an underlying portfolio of investment-grade index default swaps. CPDO coupons and principal notes received high initial credit ratings from...

  11. GRAPHICAL DETERMINATION OF DISSOCIATION CONSTANT ...

    African Journals Online (AJOL)

    DR. AMINU

    ABSTRACT. The dissociation constant (pKa) of non – polar amino acids including (alanine, glycine, valine phenylalanine and tryptophan) were determined by potentiometric titration technique. The pKa values obtained by extrapolation for alanine, glycine, and valine were 10.29, 9.87 and 9.91 respectively. The implications ...

  12. One-group constant libraries for nuclear equilibrium state

    Energy Technology Data Exchange (ETDEWEB)

    Mizutani, Akihiko; Sekimoto, Hiroshi [Tokyo Inst. of Tech. (Japan). Research Lab. for Nuclear Reactors

    1997-03-01

    One-group constant libraries for the nuclear equilibrium state were generated for both liquid sodium cooled MOX fuel type fast reactor and PWR type thermal reactor with Equilibrium Cell Iterative Calculation System (ECICS) using JENDL-3.2, -3, -2 and ENDF/B-VI nuclear data libraries. ECICS produced one-group constant sets for 129 heavy metal nuclides and 1238 fission products. (author)

  13. Calculation and analysis of hydrogen volume concentrations in the vent pipe rigid proposed for NPP-L V; Calculo y analisis de concentraciones volumetricas de hidrogeno en el tubo de venteo rigido propuesto para la CNLV

    Energy Technology Data Exchange (ETDEWEB)

    Gomez T, A. M.; Xolocostli M, V. [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico); Lopez M, R.; Filio L, C. [Comision Nacional de Seguridad Nuclear y Salvaguardias, Dr. Jose Ma. Barragan No. 779, Col. Narvarte, 03020 Mexico D. F. (Mexico); Royl, P., E-mail: armando.gomez@inin.gob.mx [Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz I, D-76344 Eggenstein-Leopoldshafen (Germany)

    2014-10-15

    In 2012 was modeled of primary and secondary container of the nuclear power plant of Laguna Verde (NPP-L V) for the CFD Gas-Flow code. These models were used to calculate hydrogen volume concentrations run release the reactor building in case of a severe accident. The results showed that the venting would produce detonation conditions in the venting level (level 33) and flammability at ground level of reload. One of the solutions to avoid reaching critical concentrations (flammable or detonable) inside the reactor building and thus safeguard the contentions is to make a rigid venting. The rigid vent is a pipe connected to the primary container could go to the level 33 of the secondary container and style fireplace climb to the top of the reactor building. The analysis of hydrogen transport inside the vent pipe can be influenced by various environmental criteria and factors vent, so a logical consequence of the 2012 analysis is the analysis of the gases transport within said pipe to define vent ideal conditions. For these evaluations the vent pipe was modeled with a fine mesh of 32 radial interior nodes and a coarse mesh of 4 radial interior nodes. With three-dimensional models were realized calculations that allow observing the influence of heat transfer in the long term, i.e. a complete analysis of exhaust (approx. 700 seconds). However, the most interesting results focus on the first milliseconds, when the H{sub 2} coming from the atmosphere of the primary container faces the air in the vent pipe. These first milliseconds besides allowing evaluating the detonation criteria in great detail in the different tubular sections similarly allow evaluating the pressure wave that occurs in the pipe and that at some point slows to the fluid on the last tubular section and could produce a detonation inside the pipe. Results are presented for venting fixed conditions, showing possible detonations into the pipe. (Author)

  14. PIV measurement of constant area mixing in subsonic air ejector

    Directory of Open Access Journals (Sweden)

    Dvořák Václav

    2012-04-01

    Full Text Available The article deals with experimental study of constant area mixing in subsonic axi-symmetric air ejector. The velocity fields inside the constant area mixing chamber were taken through the vitreous wall of the chamber, while the laser beam entered it from the opened outflow of the ejector. PIV measurements of four different mixing regimes, each with different ejection ratio were performed. Basic description of results are given and it is claimed that results are reliable. Obtained data will be later compared with constant temperature anemometry and with numerical calculations.

  15. Calculation Software

    Science.gov (United States)

    1994-01-01

    MathSoft Plus 5.0 is a calculation software package for electrical engineers and computer scientists who need advanced math functionality. It incorporates SmartMath, an expert system that determines a strategy for solving difficult mathematical problems. SmartMath was the result of the integration into Mathcad of CLIPS, a NASA-developed shell for creating expert systems. By using CLIPS, MathSoft, Inc. was able to save the time and money involved in writing the original program.

  16. Wormholes and the cosmological constant

    Science.gov (United States)

    Klebanov, Igor; Susskind, Leonard; Banks, Tom

    1989-05-01

    We review Coleman's wormhole mechanism for the vanishing of the cosmological constant. We show that in a minisuperspace model wormhole-connected universes dominate the path integral. We also provide evidence that the euclidean path integral over geometries with spherical topology is unstable with respect to formation of infinitely many wormhole-connected 4-spheres. Consistency is restored by summing over all topologies, which leads to Coleman's result. Coleman's argument for determination of other parameters is reviewed and applied to the mass of the pion. A discouraging result is found that the pion mass is driven to zero. We also consider qualitatively the implications of the wormhole theory for cosmology. We argue that a small number of universes containing matter and energy may exist in contact with infinitely many cold and empty universe. Contact with the cold universe insures that the cosmological constant in the warm ones in zero.

  17. Wormholes and the cosmological constant

    Energy Technology Data Exchange (ETDEWEB)

    Klebanov, I.; Susskind, L.; Banks, T.

    1989-05-08

    We review Coleman's wormhole mechanism for the vanishing of the cosmological constant. We show that in a minisuperspace model wormhole-connected universes dominate the path integral. We also provide evidence that the euclidean path integral over geometries with spherical topology is unstable with respect to formation of infinitely many wormhole-connected 4-spheres. Consistency is restored by summing over all topologies, which leads to Coleman's result. Coleman's argument for determination of other parameters is reviewed and applied to the mass of the pion. A discouraging result is found that the pion mass is driven to zero. We also consider qualitatively the implications of the wormhole theory for cosmology. We argue that a small number of universes containing matter and energy may exist in contact with infinitely many cold and empty universes. Contact with the cold universes insures that the cosmological constant in the warm ones is zero.

  18. A new cosmological constant model

    CERN Document Server

    López, J L; Lopez, J; Nanopoulos, D

    1996-01-01

    We propose a new cosmological model with a time-dependent cosmological constant (\\Lambda\\propto 1/t^2), which starting at the Planck time as \\Lambda_{Pl}\\sim M^2_{Pl}, evolves to the present-day allowed value of \\Lambda_0\\sim10^{-120}M^2_{Pl}. This scenario is supported by non-critical string theory considerations. We compute the age of the Universe and the time-dependence of the scale factor in this model, and find general agreement with recent determinations of the Hubble parameter for substantial values of \\Omega_{\\rm \\Lambda}. This effectively low-density open Universe model differs from the traditional cosmological constant model, and has observable implications for particle physics and cosmology.

  19. Cosmological Constant and Local Gravity

    CERN Document Server

    Bernabeu, Jose; Mavromatos, Nick E

    2010-01-01

    We discuss the linearization of Einstein equations in the presence of a cosmological constant, by expanding the solution for the metric around a flat Minkowski space-time. We demonstrate that one can find consistent solutions to the linearized set of equations for the metric perturbations, in the Lorentz gauge, which are not spherically symmetric, but they rather exhibit a cylindrical symmetry. We find that the components of the gravitational field satisfying the appropriate Poisson equations have the property of ensuring that a scalar potential can be constructed, in which both contributions, from ordinary matter and $\\Lambda > 0$, are attractive. In addition, there is a novel tensor potential, induced by the pressure density, in which the effect of the cosmological constant is repulsive. We also linearize the Schwarzschild-de Sitter exact solution of Einstein's equations (due to a generalization of Birkhoff's theorem) in the domain between the two horizons. We manage to transform it first to a gauge in whic...

  20. The varying cosmological constant: A new approximation to the Friedmann equations and universe model

    Science.gov (United States)

    Öztaş, Ahmet M.; Dil, Emre; Smith, Michael L.

    2018-01-01

    We investigate the time-dependent nature of the cosmological constant, Λ, of the Einstein Field Equation (EFE). Beginning with the Einstein-Hilbert action as our fundamental principle we develop a modified version of the EFE allowing the value of Λ to vary as a function of time, Λ(t), indirectly, for an expanding universe. We follow the evolving Λ presuming 4-dimensional spacetime and a flat universe geometry and present derivations of Λ(t) as functions of the Hubble constant, matter density and volume changes which can be traced back to the radiation epoch. The models are more detailed descriptions of the Λ dependence on cosmological factors than previous, allowing calculations of the important parameters, Ωm and Ωr, to deep lookback times. Since we derive these without the need for extra dimensions or other special conditions our derivations are useful for model evaluation with astronomical data. This should aid resolution of several difficult problems of astronomy such as the best value for the Hubble constant at present and at recombination.

  1. Image quality of mean temporal arterial and mean temporal portal venous phase images calculated from low dose dynamic volume perfusion CT datasets in patients with hepatocellular carcinoma and pancreatic cancer

    Energy Technology Data Exchange (ETDEWEB)

    Wang, X. [Radiology Department, Peking Union Medical College Hospital, Chinese Academy of Medical Sciences, Beijing (China); Henzler, T., E-mail: thomas.henzler@medma.uni-heidelberg.de [Institute of Clinical Radiology and Nuclear Medicine, University Medical Center Mannheim, Medical Faculty Mannheim, Heidelberg University (Germany); Gawlitza, J.; Diehl, S. [Institute of Clinical Radiology and Nuclear Medicine, University Medical Center Mannheim, Medical Faculty Mannheim, Heidelberg University (Germany); Wilhelm, T. [Department of Surgery, University Medical Center Mannheim, Medical Faculty Mannheim, Heidelberg University (Germany); Schoenberg, S.O. [Institute of Clinical Radiology and Nuclear Medicine, University Medical Center Mannheim, Medical Faculty Mannheim, Heidelberg University (Germany); Jin, Z.Y.; Xue, H.D. [Radiology Department, Peking Union Medical College Hospital, Chinese Academy of Medical Sciences, Beijing (China); Smakic, A. [Institute of Clinical Radiology and Nuclear Medicine, University Medical Center Mannheim, Medical Faculty Mannheim, Heidelberg University (Germany)

    2016-11-15

    Purpose: Dynamic volume perfusion CT (dVPCT) provides valuable information on tissue perfusion in patients with hepatocellular carcinoma (HCC) and pancreatic cancer. However, currently dVPCT is often performed in addition to conventional CT acquisitions due to the limited morphologic image quality of dose optimized dVPCT protocols. The aim of this study was to prospectively compare objective and subjective image quality, lesion detectability and radiation dose between mean temporal arterial (mTA) and mean temporal portal venous (mTPV) images calculated from low dose dynamic volume perfusion CT (dVPCT) datasets with linearly blended 120-kVp arterial and portal venous datasets in patients with HCC and pancreatic cancer. Materials and methods: All patients gave written informed consent for this institutional review board–approved HIPAA compliant study. 27 consecutive patients (18 men, 9 women, mean age, 69.1 years ± 9.4) with histologically proven HCC or suspected pancreatic cancer were prospectively enrolled. The study CT protocol included a dVPCT protocol performed with 70 or 80 kVp tube voltage (18 spiral acquisitions, 71.2 s total acquisition times) and standard dual-energy (90/150 kVpSn) arterial and portal venous acquisition performed 25 min after the dVPCT. The mTA and mTPV images were manually reconstructed from the 3 to 5 best visually selected single arterial and 3 to 5 best single portal venous phases dVPCT dataset. The linearly blended 120-kVp images were calculated from dual-energy CT (DECT) raw data. Image noise, SNR, and CNR of the liver, abdominal aorta (AA) and main portal vein (PV) were compared between the mTA/mTPV and the linearly blended 120-kVp dual-energy arterial and portal venous datasets, respectively. Subjective image quality was evaluated by two radiologists regarding subjective image noise, sharpness and overall diagnostic image quality using a 5-point Likert Scale. In addition, liver lesion detectability was performed for each liver

  2. Searching for Kaprekar's constants: algorithms and results

    OpenAIRE

    Walden, Byron L.

    2005-01-01

    We examine some new results on Kaprekar's constants, specifically establishing the unique 7-digit (in base 4) and 9-digit (in base 5) Kaprekar's constants and showing that there are no 15-, 21-, 27-, or 33-digit Kaprekar's constants.

  3. Linearized force constants method for lattice dynamics in mixed semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Nassour, A; Hugel, J; Postnikov, A V [Laboratoire de Physique et des Milieux Denses, Institut de Physique electronique et Chimie, Paul Verlaine Universite-Metz, 1 Boulevard Arago, F-57078, Metz Cedex 3 (France)

    2007-12-15

    A simple and accurate method of calculating phonon spectra in mixed semiconductors alloys, on the basis of preliminarily (from first principles) relaxed atomic structure, is proposed and tested for (Zn,Be)Se and (Ga,In)As solid solutions. The method uses an observation that the interatomic force constants, calculated ab initio for a number of microscopic configurations in the systems cited, show a clear linear variation of the main (diagonal) values of the interatomic force constants with the corresponding bond length. We formulate simple rules about how to recover the individual 3x3 subblocks of the force constants matrix in their local (bonds-related) coordinate systems and how to transform them into a global (crystal cell-related) coordinate system. Test calculations done for 64-atom supercells representing different concentrations of (Zn,Be)Se and (Ga,In)As show that the phonon frequencies and compositions of eigenvectors are faithfully reproduced in a linearized force constants calculation, as compared to true ab initio calculations.

  4. Calculator calculus

    CERN Document Server

    McCarty, George

    1982-01-01

    How THIS BOOK DIFFERS This book is about the calculus. What distinguishes it, however, from other books is that it uses the pocket calculator to illustrate the theory. A computation that requires hours of labor when done by hand with tables is quite inappropriate as an example or exercise in a beginning calculus course. But that same computation can become a delicate illustration of the theory when the student does it in seconds on his calculator. t Furthermore, the student's own personal involvement and easy accomplishment give hi~ reassurance and en­ couragement. The machine is like a microscope, and its magnification is a hundred millionfold. We shall be interested in limits, and no stage of numerical approximation proves anything about the limit. However, the derivative of fex) = 67.SgX, for instance, acquires real meaning when a student first appreciates its values as numbers, as limits of 10 100 1000 t A quick example is 1.1 , 1.01 , 1.001 , •••• Another example is t = 0.1, 0.01, in the functio...

  5. Reliability Calculations

    DEFF Research Database (Denmark)

    Petersen, Kurt Erling

    1986-01-01

    Risk and reliability analysis is increasingly being used in evaluations of plant safety and plant reliability. The analysis can be performed either during the design process or during the operation time, with the purpose to improve the safety or the reliability. Due to plant complexity and safety...... and availability requirements, sophisticated tools, which are flexible and efficient, are needed. Such tools have been developed in the last 20 years and they have to be continuously refined to meet the growing requirements. Two different areas of application were analysed. In structural reliability probabilistic...... approaches have been introduced in some cases for the calculation of the reliability of structures or components. A new computer program has been developed based upon numerical integration in several variables. In systems reliability Monte Carlo simulation programs are used especially in analysis of very...

  6. Measuring the RC time constant with Arduino

    Science.gov (United States)

    Pereira, N. S. A.

    2016-11-01

    In this work we use the Arduino UNO R3 open source hardware platform to assemble an experimental apparatus for the measurement of the time constant of an RC circuit. With adequate programming, the Arduino is used as a signal generator, a data acquisition system and a basic signal visualisation tool. Theoretical calculations are compared with direct observations from an analogue oscilloscope. Data processing and curve fitting is performed on a spreadsheet. The results obtained for the six RC test circuits are within the expected interval of values defined by the tolerance of the components. The hardware and software prove to be adequate to the proposed measurements and therefore adaptable to a laboratorial teaching and learning context.

  7. Exact constants in approximation theory

    CERN Document Server

    Korneichuk, N

    1991-01-01

    This book is intended as a self-contained introduction for non-specialists, or as a reference work for experts, to the particular area of approximation theory that is concerned with exact constants. The results apply mainly to extremal problems in approximation theory, which in turn are closely related to numerical analysis and optimization. The book encompasses a wide range of questions and problems: best approximation by polynomials and splines; linear approximation methods, such as spline-approximation; optimal reconstruction of functions and linear functionals. Many of the results are base

  8. Cryptography in constant parallel time

    CERN Document Server

    Applebaum, Benny

    2013-01-01

    Locally computable (NC0) functions are 'simple' functions for which every bit of the output can be computed by reading a small number of bits of their input. The study of locally computable cryptography attempts to construct cryptographic functions that achieve this strong notion of simplicity and simultaneously provide a high level of security. Such constructions are highly parallelizable and they can be realized by Boolean circuits of constant depth.This book establishes, for the first time, the possibility of local implementations for many basic cryptographic primitives such as one-way func

  9. Evaluation of potential severe accidents during low power and shutdown operations at Grand Gulf, Unit 1: Evaluation of severe accident risks for plant operational state 5 during a refueling outage. Supporting MELCOR calculations, Volume 6, Part 2

    Energy Technology Data Exchange (ETDEWEB)

    Kmetyk, L.N.; Brown, T.D. [Sandia National Labs., Albuquerque, NM (United States)

    1995-03-01

    To gain a better understanding of the risk significance of low power and shutdown modes of operation, the Office of Nuclear Regulatory Research at the NRC established programs to investigate the likelihood and severity of postulated accidents that could occur during low power and shutdown (LP&S) modes of operation at commercial nuclear power plants. To investigate the likelihood of severe core damage accidents during off power conditions, probabilistic risk assessments (PRAs) were performed for two nuclear plants: Unit 1 of the Grand Gulf Nuclear Station, which is a BWR-6 Mark III boiling water reactor (BWR), and Unit 1 of the Surry Power Station, which is a three-loop, subatmospheric, pressurized water reactor (PWR). The analysis of the BWR was conducted at Sandia National Laboratories while the analysis of the PWR was performed at Brookhaven National Laboratory. This multi-volume report presents and discusses the results of the BWR analysis. The subject of this part presents the deterministic code calculations, performed with the MELCOR code, that were used to support the development and quantification of the PRA models. The background for the work documented in this report is summarized, including how deterministic codes are used in PRAS, why the MELCOR code is used, what the capabilities and features of MELCOR are, and how the code has been used by others in the past. Brief descriptions of the Grand Gulf plant and its configuration during LP&S operation and of the MELCOR input model developed for the Grand Gulf plant in its LP&S configuration are given.

  10. Ab initio elastic constants for the lonsdaleite phases of C, Si and Ge

    Energy Technology Data Exchange (ETDEWEB)

    Wang, S Q [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China); Ye, H Q [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China)

    2003-08-06

    The elastic constants of lonsdaleite C, Si and Ge are calculated by using the plane-wave pseudopotential method in the scheme of density functional theory and the local density approximation. For comparison, the elastic constants of the cubic diamond phases of these elements, zincblende SiC and 6H-SiC, are also calculated.

  11. Ab initio elastic constants for the lonsdaleite phases of C, Si and Ge

    Science.gov (United States)

    Wang, S. Q.; Ye, H. Q.

    2003-08-01

    The elastic constants of lonsdaleite C, Si and Ge are calculated by using the plane-wave pseudopotential method in the scheme of density functional theory and the local density approximation. For comparison, the elastic constants of the cubic diamond phases of these elements, zincblende SiC and 6H-SiC, are also calculated.

  12. Optimal experimental designs for estimating Henry's law constants via the method of phase ratio variation.

    Science.gov (United States)

    Kapelner, Adam; Krieger, Abba; Blanford, William J

    2016-10-14

    When measuring Henry's law constants (kH) using the phase ratio variation (PRV) method via headspace gas chromatography (GC), the value of kH of the compound under investigation is calculated from the ratio of the slope to the intercept of a linear regression of the inverse GC response versus the ratio of gas to liquid volumes of a series of vials drawn from the same parent solution. Thus, an experimenter collects measurements consisting of the independent variable (the gas/liquid volume ratio) and dependent variable (the GC-1 peak area). A review of the literature found that the common design is a simple uniform spacing of liquid volumes. We present an optimal experimental design which estimates kH with minimum error and provides multiple means for building confidence intervals for such estimates. We illustrate performance improvements of our design with an example measuring the kH for Naphthalene in aqueous solution as well as simulations on previous studies. Our designs are most applicable after a trial run defines the linear GC response and the linear phase ratio to the GC-1 region (where the PRV method is suitable) after which a practitioner can collect measurements in bulk. The designs can be easily computed using our open source software optDesignSlopeInt, an R package on CRAN. Copyright © 2016 Elsevier B.V. All rights reserved.

  13. Formas estructurales de fuerza constante

    Directory of Open Access Journals (Sweden)

    Zalewski, Waclaw

    1963-05-01

    Full Text Available The author seeks to prove the need to obtain the most essential form in the various types of structures by applying a number of rational principles, of which the constant stress principle is one of the most decisive. The structural form should be a logical consequence of all its functional circumstances, and this requires a clear understanding of the general behaviour of each part of the structure, and also of the main stresses which operate on it, considered as a unitary whole. To complete his theoretical argument, the author gives some examples, in the design of which the criterion of constant stress has been adopted. The author considers the various aspects which are involved in obtaining a structural design that satisfies given functional and aesthetic requirements. In doing so he refers to his personal experience within Poland, and infers technical principles of general validity which should determine the rational design of the form, as an integrated aspect of the structural pattern. The projects which illustrate this paper are Polish designs of undoubted constructive significance, in which the principle of constant stress has been applied. Finally the author condenses his whole theory in a simple and straightforward practical formula, which should be followed if a truly rational form is to be achieved: the constancy of stress in the various structural elements.El autor se esfuerza en mostrar la necesidad de llegar a la forma real en las distintas estructuras siguiendo una serie de principios racionales, entre los que domina el criterio de la fuerza constante. La forma ha de ser una consecuencia lógica en todos sus aspectos, y esto exige un claro conocimiento del comportamiento general de cada una de las partes de la estructura, y de los esfuerzos generales que dominan en la misma al considerarla como un todo. Para completar la exposición de orden teórico, el autor presenta algunos ejemplos en cuyo proyecto se ha seguido el criterio de

  14. [Grades evaluation of Scutellariae Radix slices based on quality constant].

    Science.gov (United States)

    Deng, Zhe; Zhang, Jun; Jiao, Meng-Jiao; Zhong, Wen; Cui, Wen-Jin; Cheng, Jin-Tang; Chen, Sha; Wang, Yue-Sheng; Liu, An

    2017-05-01

    By measuring the morphological indexes and the marker components content of 22 batches of Scutellariae Radix slices as well as calculating the quality constant, this research was aimed to establish a new method of evaluating the specifications and grades of Scutellariae Radix slices. The quality constants of these samples were in the range of 0.04-0.49, which can be divided into several grades based on the real requirement. If they were divided into three grades, the quality constant was ≥0.39 for the first grade, grade, and grade. This work indicated that the quality constants characterizing both apparent parameters and intrinsic quality can be used as a comprehensive evaluation index to classify the grades of traditional Chinese medicine quantitatively, clearly and objectively. The research results in this paper would provide new ideas and references for evaluating the specifications and grades of traditional Chinese medicines. Copyright© by the Chinese Pharmaceutical Association.

  15. Graphs with constant μ and μ

    NARCIS (Netherlands)

    van Dam, E.R.; Haemers, W.H.

    1995-01-01

    A graph G has constant u = u(G) if any two vertices that are not adjacent have u common neighbours. G has constant u and u if G has constant u = u(G), and its complement G has constant u = u(G). If such a graph is regular, then it is strongly regular, otherwise precisely two vertex degrees occur. We

  16. Stability constant estimator user`s guide

    Energy Technology Data Exchange (ETDEWEB)

    Hay, B.P.; Castleton, K.J.; Rustad, J.R.

    1996-12-01

    The purpose of the Stability Constant Estimator (SCE) program is to estimate aqueous stability constants for 1:1 complexes of metal ions with ligands by using trends in existing stability constant data. Such estimates are useful to fill gaps in existing thermodynamic databases and to corroborate the accuracy of reported stability constant values.

  17. Numerical-analytical method of calculating insulated double-glazed units deflection under climatic (internal load

    Directory of Open Access Journals (Sweden)

    Plotnikov Aleksandr Aleksandrovich

    Full Text Available Glass unit consists of glasses hermetically-united together. The cavity of an insulating glass unit contains a fixed volume of air (gas. In the process of production regular air with atmospheric pressure and temperature is sealed inside a glass unit. During operation the atmospheric pressure is constantly changing, but the pressure inside remains constant (at a constant temperature. A change of temperature or of the external air pressure results in a pressure difference and therefore in a load on the glass panes. The action may exceed the usual load considerably. This pressure effects the glasses of the unit, deforms them, lowers the thermotechnical properties of glass units and can lead to their destruction. The action of the inside pressure can be seen all around as convex and concaved glasses, which destroys the architectural look of buildings. It is obvious that it is incorrect to calculate thin glass plates on such a load only by classical methods of strength of materials theory. In this case we need a special calculation method. The effects of a change in temperature, altitude or meteorological pressure are easily covered by the definition of an isochore pressure. This is necessary, to determine the change of pressure due to the temperature induced gas expansion in the cavity of the insulating glass according to the ideal gas law. After the integration of the analytical plate solution and the ideal gas law, the final pressure states can easily be calculated by coupling the change of volume and the change of pressure.

  18. Decay constants in soft wall AdS/QCD revisited

    Directory of Open Access Journals (Sweden)

    Nelson R.F. Braga

    2016-12-01

    We show here that a modified framework of soft wall AdS/QCD involving an additional dimensionfull parameter, associated with an ultraviolet energy scale, provides decay constants decreasing with radial excitation level. In this version of the soft wall model the two point function of gauge theory operators is calculated at a finite position of the anti-de Sitter space radial coordinate.

  19. Some Debye temperatures from single-crystal elastic constant data

    Science.gov (United States)

    Robie, R.A.; Edwards, J.L.

    1966-01-01

    The mean velocity of sound has been calculated for 14 crystalline solids by using the best recent values of their single-crystal elastic stiffness constants. These mean sound velocities have been used to obtain the elastic Debye temperatures ??De for these materials. Models of the three wave velocity surfaces for calcite are illustrated. ?? 1966 The American Institute of Physics.

  20. The properties of C-parameter and coupling constants

    Indian Academy of Sciences (India)

    2016-12-03

    Dec 3, 2016 ... Abstract. We present the properties of the C-parameter as an event-shape variable. We calculate the coupling constants in the perturbative and also in the non-perturbative parts of the QCD theory, using the dispersive as well as the shape function models. By fitting the corresponding theoretical predictions ...

  1. Constant training in direct ophthalmoscopy

    Directory of Open Access Journals (Sweden)

    Younan HC

    2017-08-01

    Full Text Available Helen-Cara Younan, Rishi Iyer, Janaki Natasha DesaiFaculty of Medicine, Imperial College London, London, UKWe read with great interest the review by Ricci and Ferraz on the advances in training and practice in ophthalmoscopy simulation.1As final year medical students, we have recently experienced direct ophthalmoscopy teaching and agree with the authors that “simulation is a helpful tool in ophthalmoscopy training”.1 Indeed, in our experience, simulation is useful in teaching a wide variety of clinical skills including venepuncture, intravenous cannulation, and catheterization. We were taught all of these clinical skills in our first clinical year of study through use of simulation models. With regards to our direct ophthalmoscopy teaching, we were first taught to recognize the normal retina and different retinal pathologies using images, before practicing our technique and recognition of those images in a model similar to the THELMA (The Human Eye Learning Model Assistant described by the authors.1However, we feel that the use of simulation models alone is not enough to provide confidence and competency in direct ophthalmoscopy among medical students. The authors conclude that “constant training is a well-known strategy for skill enhancement”,1 and we have found that a lack of constant training in direct ophthalmoscopy is evident. After learning venepuncture, cannulation, and catheterization on the simulation models, we were able to observe doctors performing these skills before performing them on patients either in the wards or in theatre. These are skills that we are constantly trained in across a wide variety of medical and surgical attachments. However, opportunities to observe and practice ophthalmoscopy during our attachments are more limited, and thus we are not continuing to use the skills we learn.Authors' replyLucas Holderegger Ricci,1 Caroline Amaral Ferraz21Department of Ophthalmology, School of Medicine, Laureate

  2. Computer program for calculation of complex chemical equilibrium compositions and applications. Part 1: Analysis

    Science.gov (United States)

    Gordon, Sanford; Mcbride, Bonnie J.

    1994-01-01

    This report presents the latest in a number of versions of chemical equilibrium and applications programs developed at the NASA Lewis Research Center over more than 40 years. These programs have changed over the years to include additional features and improved calculation techniques and to take advantage of constantly improving computer capabilities. The minimization-of-free-energy approach to chemical equilibrium calculations has been used in all versions of the program since 1967. The two principal purposes of this report are presented in two parts. The first purpose, which is accomplished here in part 1, is to present in detail a number of topics of general interest in complex equilibrium calculations. These topics include mathematical analyses and techniques for obtaining chemical equilibrium; formulas for obtaining thermodynamic and transport mixture properties and thermodynamic derivatives; criteria for inclusion of condensed phases; calculations at a triple point; inclusion of ionized species; and various applications, such as constant-pressure or constant-volume combustion, rocket performance based on either a finite- or infinite-chamber-area model, shock wave calculations, and Chapman-Jouguet detonations. The second purpose of this report, to facilitate the use of the computer code, is accomplished in part 2, entitled 'Users Manual and Program Description'. Various aspects of the computer code are discussed, and a number of examples are given to illustrate its versatility.

  3. The fundamental constants a mystery of physics

    CERN Document Server

    Fritzsch, Harald

    2009-01-01

    The speed of light, the fine structure constant, and Newton's constant of gravity — these are just three among the many physical constants that define our picture of the world. Where do they come from? Are they constant in time and across space? In this book, physicist and author Harald Fritzsch invites the reader to explore the mystery of the fundamental constants of physics in the company of Isaac Newton, Albert Einstein, and a modern-day physicist

  4. Omnidirectional antenna having constant phase

    Energy Technology Data Exchange (ETDEWEB)

    Sena, Matthew

    2017-04-04

    Various technologies presented herein relate to constructing and/or operating an antenna having an omnidirectional electrical field of constant phase. The antenna comprises an upper plate made up of multiple conductive rings, a lower ground-plane plate, a plurality of grounding posts, a conical feed, and a radio frequency (RF) feed connector. The upper plate has a multi-ring configuration comprising a large outer ring and several smaller rings of equal size located within the outer ring. The large outer ring and the four smaller rings have the same cross-section. The grounding posts ground the upper plate to the lower plate while maintaining a required spacing/parallelism therebetween.

  5. Henry's law constants of polyols

    Science.gov (United States)

    Compernolle, S.; Müller, J.-F.

    2014-12-01

    Henry's law constants (HLC) are derived for several polyols bearing between 2 and 6 hydroxyl groups, based on literature data for water activity, vapour pressure and/or solubility. While deriving HLC and depending on the case, also infinite dilution activity coefficients (IDACs), solid state vapour pressures or activity coefficient ratios are obtained as intermediate results. An error analysis on the intermediate quantities and the obtained HLC is included. For most compounds, these are the first values reported, while others compare favourably with literature data in most cases. Using these values and those from a previous work (Compernolle and Müller, 2014), an assessment is made on the partitioning of polyols, diacids and hydroxy acids to droplet and aqueous aerosol.

  6. Henry's law constants of polyols

    Directory of Open Access Journals (Sweden)

    S. Compernolle

    2014-12-01

    Full Text Available Henry's law constants (HLC are derived for several polyols bearing between 2 and 6 hydroxyl groups, based on literature data for water activity, vapour pressure and/or solubility. While deriving HLC and depending on the case, also infinite dilution activity coefficients (IDACs, solid state vapour pressures or activity coefficient ratios are obtained as intermediate results. An error analysis on the intermediate quantities and the obtained HLC is included. For most compounds, these are the first values reported, while others compare favourably with literature data in most cases. Using these values and those from a previous work (Compernolle and Müller, 2014, an assessment is made on the partitioning of polyols, diacids and hydroxy acids to droplet and aqueous aerosol.

  7. Philicities, Fugalities, and Equilibrium Constants.

    Science.gov (United States)

    Mayr, Herbert; Ofial, Armin R

    2016-05-17

    The mechanistic model of Organic Chemistry is based on relationships between rate and equilibrium constants. Thus, strong bases are generally considered to be good nucleophiles and poor nucleofuges. Exceptions to this rule have long been known, and the ability of iodide ions to catalyze nucleophilic substitutions, because they are good nucleophiles as well as good nucleofuges, is just a prominent example for exceptions from the general rule. In a reaction series, the Leffler-Hammond parameter α = δΔG(⧧)/δΔG° describes the fraction of the change in the Gibbs energy of reaction, which is reflected in the change of the Gibbs energy of activation. It has long been considered as a measure for the position of the transition state; thus, an α value close to 0 was associated with an early transition state, while an α value close to 1 was considered to be indicative of a late transition state. Bordwell's observation in 1969 that substituent variation in phenylnitromethanes has a larger effect on the rates of deprotonation than on the corresponding equilibrium constants (nitroalkane anomaly) triggered the breakdown of this interpretation. In the past, most systematic investigations of the relationships between rates and equilibria of organic reactions have dealt with proton transfer reactions, because only for few other reaction series complementary kinetic and thermodynamic data have been available. In this Account we report on a more general investigation of the relationships between Lewis basicities, nucleophilicities, and nucleofugalities as well as between Lewis acidities, electrophilicities, and electrofugalities. Definitions of these terms are summarized, and it is suggested to replace the hybrid terms "kinetic basicity" and "kinetic acidity" by "protophilicity" and "protofugality", respectively; in this way, the terms "acidity" and "basicity" are exclusively assigned to thermodynamic properties, while "philicity" and "fugality" refer to kinetics

  8. MARKETING OF WHEAT ON A CONSTANT AND NIL MOISTURE BASIS

    OpenAIRE

    William W. WILSON; Dahl, Bruce L.

    2002-01-01

    This study examined moisture specification practices in the United States and for major exporters and assessed impacts of changes to a nil or constant moisture basis on prices and revenue. These were examined under scenarios where information on moisture in current prices is limited and under a scenario where current prices reflect Full Knowledge of moisture advantages. Results indicate that changing to a nil moisture basis (which requires a subsequent adjustment in volumes to reflect the sub...

  9. The cosmological constant and the energy of gravitational radiation

    CERN Document Server

    Chruściel, Piotr T

    2016-01-01

    We propose a definition of mass for characteristic hypersurfaces in asymptotically vacuum space-times with non-vanishing cosmological constant $\\Lambda \\in {\\mathbb R}^*$, generalising the definition of Trautman and Bondi for $\\Lambda=0$. We show that our definition reduces to some standard definitions in several situations. We establish a balance formula linking the characteristic mass and a suitably defined renormalised volume of the null hypersurface, generalising the positivity identity of one of us (PTC) and Paetz proved when $\\Lambda=0$.

  10. Development of thermodynamic databases for geochemical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Arthur, R.C. [Monitor Scientific, L.L.C., Denver, Colorado (United States); Sasamoto, Hiroshi; Shibata, Masahiro; Yui, Mikazu [Japan Nuclear Cycle Development Inst., Tokai, Ibaraki (Japan); Neyama, Atsushi [Computer Software Development Corp., Tokyo (Japan)

    1999-09-01

    Two thermodynamic databases for geochemical calculations supporting research and development on geological disposal concepts for high level radioactive waste are described in this report. One, SPRONS.JNC, is compatible with thermodynamic relations comprising the SUPCRT model and software, which permits calculation of the standard molal and partial molal thermodynamic properties of minerals, gases, aqueous species and reactions from 1 to 5000 bars and 0 to 1000degC. This database includes standard molal Gibbs free energies and enthalpies of formation, standard molal entropies and volumes, and Maier-Kelly heat capacity coefficients at the reference pressure (1 bar) and temperature (25degC) for 195 minerals and 16 gases. It also includes standard partial molal Gibbs free energies and enthalpies of formation, standard partial molal entropies, and Helgeson, Kirkham and Flowers (HKF) equation-of-state coefficients at the reference pressure and temperature for 1147 inorganic and organic aqueous ions and complexes. SPRONS.JNC extends similar databases described elsewhere by incorporating new and revised data published in the peer-reviewed literature since 1991. The other database, PHREEQE.JNC, is compatible with the PHREEQE series of geochemical modeling codes. It includes equilibrium constants at 25degC and l bar for mineral-dissolution, gas-solubility, aqueous-association and oxidation-reduction reactions. Reaction enthalpies, or coefficients in an empirical log K(T) function, are also included in this database, which permits calculation of equilibrium constants between 0 and 100degC at 1 bar. All equilibrium constants, reaction enthalpies, and log K(T) coefficients in PHREEQE.JNC are calculated using SUPCRT and SPRONS.JNC, which ensures that these two databases are mutually consistent. They are also internally consistent insofar as all the data are compatible with basic thermodynamic definitions and functional relations in the SUPCRT model, and because primary

  11. Europium (III) and americium (III) stability constants with humic acid

    Energy Technology Data Exchange (ETDEWEB)

    Torres, R.A.; Choppin, G.R.

    1984-01-01

    The stability constants for tracer concentrations of Eu(III) and Am(III) complexes with a humic acid extracted from a lake-bottom sediment were measured using a solvent extraction system. The organic extractant was di(2-ethylhexyl)-phosphoric acid in toluene while the humate aqueous phase had a constant ionic strength of 0.1 M (NaClO/sub 4/). Aqueous humic acid concentrations were monitored by measuring uv-visible absorbances at approx.= 380 nm. The total carboxylate capacity of the humic acid was determined by direct potentiometric titration to be 3.86 +- 0.03 meq/g. The humic acid displayed typical characteristics of a polyelectrolyte - the apparent pKsub(a), as well as the calculated metal ion stability constants increased as the degree of ionization (..cap alpha..) increased. The binding data required a fit of two stability constants, ..beta../sub 1/ and ..beta../sub 2/, such that for Eu, log ..beta../sub 1/ = 8.86 ..cap alpha.. + 4.39, log ..beta../sub 2/ = 3.55 ..cap alpha.. + 11.06 while for Am, log ..beta../sub 1/ = 10.58 ..cap alpha.. + 3.84, log ..beta../sub 2/ = 5.32 ..cap alpha.. + 10.42. With hydroxide, carbonate, and humate as competing ligands, the humate complex associated with the ..beta../sub 1/ constant is calculated to be the dominant species for the trivalent actinides and lanthanides under conditions present in natural waters.

  12. Tunnelling with a negative cosmological constant

    Science.gov (United States)

    Gibbons, G. W.

    1996-02-01

    The point of this paper is to see what light new results in hyperbolic geometry may throw on gravitational entropy and whether gravitational entropy is relevant for the quantum origin of the universe. We introduce some new gravitational instantons which mediate the birth from nothing of closed universes containing wormholes and suggest that they may contribute to the density matrix of the universe. We also discuss the connection between their gravitational action and the topological and volumetric entropies introduced in hyperbolic geometry. These coincide for hyperbolic 4-manifolds, and increase with increasing topological complexity of the 4-manifold. We raise the question of whether the action also increases with the topological complexity of the initial 3-geometry, measured either by its 3-volume or its Matveev complexity. We point out, in distinction to the non-supergravity case, that universes with domains of negative cosmological constant separated by supergravity domain walls cannot be born from nothing. Finally we point out that our wormholes provide examples of the type of Perpetual Motion machines envisaged by Frolov and Novikov.

  13. Higgs inflation and the cosmological constant

    Energy Technology Data Exchange (ETDEWEB)

    Jegerlehner, Fred [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)

    2014-02-15

    The Higgs not only induces the masses of all SM particles, the Higgs, given its special mass value, is the natural candidate for the inflaton and in fact is ruling the evolution of the early universe, by providing the necessary dark energy which remains the dominant energy density. SM running couplings not only allow us to extrapolate SM physics up to the Planck scale, but equally important they are triggering the Higgs mechanism. This is possible by the fact that the bare mass term in the Higgs potential changes sign at about μ{sub 0}≅1.40 x 10{sup 16} GeV and in the symmetric phase is enhanced by quadratic terms in the Planck mass. Such a huge Higgs mass term is able to play a key role in triggering inflation in the early universe. In this article we extend our previous investigation by working out the details of a Higgs inflation scenario. We show how different terms contributing to the Higgs Lagrangian are affecting inflation. Given the SM and its extrapolation to scales μ>μ{sub 0} we find a calculable cosmological constant V(0) which is weakly scale dependent and actually remains large during inflation. This is different to the Higgs fluctuation field dependent ΔV(φ), which decays exponentially during inflation, and actually would not provide a sufficient amount of inflation. The fluctuation field has a different effective mass which shifts the bare Higgs transition point to a lower value μ'{sub 0} ≅7.7 x 10{sup 14} GeV. The vacuum energy V(0) being proportional to M{sub Pl}{sup 4} has a coefficient which vanishes near the Higgs transition point, such that the bare and the renormalized cosmological constant match at this point. The role of the Higgs in reheating and baryogenesis is emphasized.

  14. Effects of Constant Flow vs. Constant Pressure Perfusion on Fluid Filtration in Severe Hypothermic Isolated Blood-Perfused Rat Lungs.

    Science.gov (United States)

    Halsøy, Kathrine; Kondratiev, Timofey; Tveita, Torkjel; Bjertnaes, Lars J

    2016-01-01

    Victims of severe accidental hypothermia are prone to fluid extravasation but rarely develop lung edema. We hypothesize that combined hypothermia-induced increase in pulmonary vascular resistance (PVR) and a concomitant fall in cardiac output protect the lungs against edema development. Our aim was to explore in hypothermic-isolated blood-perfused rat lungs whether perfusion at constant pressure influences fluid filtration differently from perfusion at constant flow. Isolated blood-perfused rat lungs were hanging freely in a weight transducer for measuring weight changes (ΔW). Fluid filtration coefficient (Kfc), was determined by transiently elevating left atrial pressure (Pla) by 5.8 mmHg two times each during normothermia (37°C) and during hypothermia (15°C). The lung preparations were randomized to two groups. One group was perfused with constant flow (Constant flow group) and the other group with constant pulmonary artery pressure (Constant PPA group). Microvascular pressure (Pmv) was determined before and during elevation of Pla (ΔPmv) by means of the double occlusion technique. Kfc was calculated with the formula Kfc = ΔW/ΔPmv/min. All Kfc values were normalized to predicted lung weight (PLW), which was based on body weight (BW) according to the formula: PLW = 0.0053 BW - 0.48 and presented as KfcPLW in mg/min/mmHg/g. At cessation, bronchoalveolar lavage (BAL) fluid/perfusate protein concentration (B/P) ratio was determined photometrically. Data were analyzed with parametric or non-parametric tests as appropriate. p < 0.05 considered as significant. Perfusate flow remained constant in the Constant flow group, but was more than halved during hypothermia in the Constant PPA group concomitant with a more fold increase in PVR. In the Constant flow group, KfcPLW and B/P ratio increased significantly by more than 10-fold during hypothermia concerted by visible signs of edema in the trachea. Hemoglobin and hematocrit increased within the

  15. A General Constant Power Generation Algorithm for Photovoltaic Systems

    DEFF Research Database (Denmark)

    Tafti, Hossein Dehghani; Maswood, Ali Iftekhar; Konstantinou, Georgios

    2018-01-01

    Photovoltaic power plants (PVPPs) typically operate by tracking the maximum power point in order to maximize conversion efficiency. However, with the continuous increase of installed grid-connected PVPPs, power system operators have been experiencing new challenges, like overloading, overvoltages...... and operation during grid voltage disturbances. Consequently, constant power generation (CPG) is imposed by grid codes. An algorithm for the calculation of the photovoltaic panel voltage reference, which generates a constant power from the PVPP, is introduced in this paper. The key novelty of the proposed...

  16. Development of $Mathematica$ Package 'StandardPhysicalConstants'

    CERN Document Server

    Ezhela, Vladimir V

    2003-01-01

    Here we report on the further development of the 'StandardPhysicalConstants' package which was presented for the first time at the last IMS 2001 conference. We would like to dwell on the following issues: the package structure; current status of the physical constant database; data sourses, current data collection and data structure; the main modules of data management system; the first version of "error propagator"; usage examples of one in calculations for high precision tests of physics theories. The outlook of the future development of the package is also given.

  17. Dynamic measurements of the elastic constants of glass wool

    DEFF Research Database (Denmark)

    Tarnow, Viggo

    2005-01-01

    The sound wave in the air between the fibers of glass wool exerts an oscillatory viscous drag on the fibers and excites a mechanical wave in the fiber skeleton. Accurate calculations of sound attenuation in glass wool must take the mechanical wave in the fiber skeleton into account......, and this requires knowledge of the dynamic elastic constants of the fiber skeleton. The mechanical properties of glass wool are highly anisotropic. Previously only one of the elastic constants has been measured dynamically, but here all the elastic constants are reported. The measurement method is well known...... formula. The elastic constants were measured in the frequency range 20–160 Hz for glass wool of mass density 30 kg/m3. The elastic constant C11 depended on the frequency; at 20 Hz it was 1.5+0.01i MPa, and at 160 Hz it was 2.6+0.06i MPa. The constant C33=12+0.6i kPa did not depend on frequency. The shear...

  18. The fundamental constants and quantum electrodynamics

    CERN Document Server

    Taylor, Barry N; Langenberg, D N

    1969-01-01

    Introduction ; review of experimental data ; least-squares adjustment to obtain values of the constants without QED theory ; implications for quantum electrodynamics ; final recommended set of fundamental constants ; summary and conclusions.

  19. Capacitive Cells for Dielectric Constant Measurement

    Science.gov (United States)

    Aguilar, Horacio Munguía; Maldonado, Rigoberto Franco

    2015-01-01

    A simple capacitive cell for dielectric constant measurement in liquids is presented. As an illustrative application, the cell is used for measuring the degradation of overheated edible oil through the evaluation of their dielectric constant.

  20. ESR melting under constant voltage conditions

    Energy Technology Data Exchange (ETDEWEB)

    Schlienger, M.E.

    1997-02-01

    Typical industrial ESR melting practice includes operation at a constant current. This constant current operation is achieved through the use of a power supply whose output provides this constant current characteristic. Analysis of this melting mode indicates that the ESR process under conditions of constant current is inherently unstable. Analysis also indicates that ESR melting under the condition of a constant applied voltage yields a process which is inherently stable. This paper reviews the process stability arguments for both constant current and constant voltage operation. Explanations are given as to why there is a difference between the two modes of operation. Finally, constant voltage process considerations such as melt rate control, response to electrode anomalies and impact on solidification will be discussed.

  1. Surprises in numerical expressions of physical constants

    OpenAIRE

    Amir, Ariel; Lemeshko, Mikhail; Tokieda, Tadashi

    2016-01-01

    In science, as in life, `surprises' can be adequately appreciated only in the presence of a null model, what we expect a priori. In physics, theories sometimes express the values of dimensionless physical constants as combinations of mathematical constants like pi or e. The inverse problem also arises, whereby the measured value of a physical constant admits a `surprisingly' simple approximation in terms of well-known mathematical constants. Can we estimate the probability for this to be a me...

  2. Dynamic Training Volume: A Construct of Both Time Under Tension and Volume Load

    Science.gov (United States)

    Tran, Quan T.; Docherty, David

    2006-01-01

    The purpose of this study was to investigate the effects of three different weight training protocols, that varied in the way training volume was measured, on acute muscular fatigue. Ten resistance-trained males performed all three protocols which involved dynamic constant resistance exercise of the elbow flexors. Protocol A provided a standard for the time the muscle group was under tension (TUT) and volume load (VL), expressed as the product of the total number of repetitions and the load that was lifted. Protocol B involved 40% of the TUT but the same VL compared to protocol A; protocol C was equated with protocol A for TUT but only involved 50% of the VL. Fatigue was assessed by changes in maximum voluntary isometric force and integrated electromyography (iEMG) between the pre- and post-training protocols. The results of the study showed that, when equated for VL, greater TUT produced greater overall muscular fatigue (p ≤ 0.001) as reflected by the reduction in the force generating capability of the muscle. When the protocols were equated for TUT, greater VL (p ≤ 0.01) resulted in greater overall muscular fatigue. All three protocols resulted in significant decreases in iEMG (p ≤ 0.05) but they were not significantly different from each other. It was concluded that, because of the importance of training volume to neuromuscular adaptation, the training volume needs to be clearly described when designing resistance training programs. Key PointsIncrease in either time under tension (TUT) or volume load (VL) increases the acute fatigue response, despite being equated for volume (by another method).A potential discrepancy in training volume may be present with training parameters that fail to control for either TUT or VL.Neural fatigue may be a contributing factor to the development of muscular fatigue but is not influenced by various methods of calculating volume such as TUT or VL. PMID:24357968

  3. Converting Constant Volume, Multizone Air Handling Systems to Energy Efficient Variable Air Volume Multizone Systems

    Science.gov (United States)

    2017-06-05

    US Army ERDC-CERL 2902 Newmark Dr. Champaign, IL 61822 217-373-4433 Joseph Bush 46 C& P Report EW-201152 EW-201152 Environmental Security Technology...26  Table 16. Questionnaire Summary ............................................................................................... 27  v ACRONYMS...Services and Systems, and Leigh Young from the U.S. Army Corps of Engineers Huntsville Center. Others who provided helpful assistance include

  4. Searching for Kaprekar's constants: algorithms and results

    Directory of Open Access Journals (Sweden)

    Byron L. Walden

    2005-01-01

    Full Text Available We examine some new results on Kaprekar's constants, specifically establishing the unique 7-digit (in base 4 and 9-digit (in base 5 Kaprekar's constants and showing that there are no 15-, 21-, 27-, or 33-digit Kaprekar's constants.

  5. Untangling Fixed Effects and Constant Regressors

    NARCIS (Netherlands)

    Klaassen, F.; Teulings, R.

    2015-01-01

    Fixed effects (FE) in panel data models overlap each other and prohibit the identification of the impact of "constant" regressors. Think of regressors that are constant across countries in a country-time panel with time FE. The traditional approach is to drop some FE and constant regressors by

  6. Determination of Henry's law constants for low volatile mixed halogenated anisoles using solid-phase microextraction.

    Science.gov (United States)

    Diaz, Alfredo; Ventura, Francesc; Galceran, Maria Teresa

    2007-04-18

    Trihalogenated anisoles (THAs) that have been identified at low concentration levels (ngL(-1)) in drinking water are suspected of causing odor episodes, which are a frequent source of complaint by consumers. Henry's law constant (K(H)) is an important parameter in controlling the diffusion of organic compounds from the water to the vapor-phase, so its evaluation is of significance in the study of odor events. In this paper, the K(H) of a wide range of trihalogenated anisoles--in its dimensionless form [Formula: see text]--were calculated at two temperatures, 45 and 22 degrees C using equilibration partitioning in a closed system and headspace microextraction (EPICS-SPME). Two methodological approaches, Ramachandran and Dewulf, were used for the assessment of the Henry's law constant. Nevertheless, to apply these methods to THAs, a relatively narrow headspace/water volume ratio range (80/1-8/1) is required. At these conditions, a linearity (r(2)) using Ramachandran's theoretical relationship from 0.9276 to 0.9989 was obtained and the variability (R.S.D.%) when Dewulf's theoretical relationship was employed was lower than 20% (n=5).

  7. Field-theoretic simulations of block copolymer nanocomposites in a constant interfacial tension ensemble

    Science.gov (United States)

    Koski, Jason P.; Riggleman, Robert A.

    2017-04-01

    Block copolymers, due to their ability to self-assemble into periodic structures with long range order, are appealing candidates to control the ordering of functionalized nanoparticles where it is well-accepted that the spatial distribution of nanoparticles in a polymer matrix dictates the resulting material properties. The large parameter space associated with block copolymer nanocomposites makes theory and simulation tools appealing to guide experiments and effectively isolate parameters of interest. We demonstrate a method for performing field-theoretic simulations in a constant volume-constant interfacial tension ensemble (n V γ T ) that enables the determination of the equilibrium properties of block copolymer nanocomposites, including when the composites are placed under tensile or compressive loads. Our approach is compatible with the complex Langevin simulation framework, which allows us to go beyond the mean-field approximation. We validate our approach by comparing our n V γ T approach with free energy calculations to determine the ideal domain spacing and modulus of a symmetric block copolymer melt. We analyze the effect of numerical and thermodynamic parameters on the efficiency of the n V γ T ensemble and subsequently use our method to investigate the ideal domain spacing, modulus, and nanoparticle distribution of a lamellar forming block copolymer nanocomposite. We find that the nanoparticle distribution is directly linked to the resultant domain spacing and is dependent on polymer chain density, nanoparticle size, and nanoparticle chemistry. Furthermore, placing the system under tension or compression can qualitatively alter the nanoparticle distribution within the block copolymer.

  8. Geometrical contributions to the exchange constants: Free electrons with spin-orbit interaction

    Science.gov (United States)

    Freimuth, Frank; Blügel, Stefan; Mokrousov, Yuriy

    2017-05-01

    Using thermal quantum field theory, we derive an expression for the exchange constant that resembles Fukuyama's formula for orbital magnetic susceptibility (OMS). Guided by this formal analogy between the exchange constant and OMS, we identify a contribution to the exchange constant that arises from the geometrical properties of the band structure in mixed phase space. We compute the exchange constants for free electrons and show that the geometrical contribution is generally important. Our formalism allows us to study the exchange constants in the presence of spin-orbit interaction. Thereby, we find sizable differences between the exchange constants of helical and cycloidal spin spirals. Furthermore, we discuss how to calculate the exchange constants based on a gauge-field approach in the case of the Rashba model with an additional exchange splitting, and we show that the exchange constants obtained from this gauge-field approach are in perfect agreement with those obtained from the quantum field theoretical method.

  9. Regular Black Hole Metric with Three Constants of Motion

    CERN Document Server

    Johannsen, Tim

    2015-01-01

    According to the no-hair theorem, astrophysical black holes are uniquely characterized by their masses and spins and are described by the Kerr metric. Several parametric spacetimes which deviate from the Kerr metric have been proposed in order to test this theorem with observations of black holes in both the electromagnetic and gravitational-wave spectra. Such metrics often contain naked singularities or closed timelike curves in the vicinity of the compact objects that can limit the applicability of the metrics to compact objects that do not spin rapidly, and generally admit only two constants of motion. The existence of a third constant, however, can facilitate the calculation of observables, because the equations of motion can be written in first-order form. In this paper, I design a Kerr-like black hole metric which is regular everywhere outside of the event horizon, possesses three independent constants of motion, and depends nonlinearly on four free functions that parameterize potential deviations from ...

  10. Protonation constants of hydroxybenzenes in hydrochloric acid

    Directory of Open Access Journals (Sweden)

    S. B. TOSIC

    1999-09-01

    Full Text Available The absorption spectra of monohydroxybenzene (Fen, 1,3-dihydroxybenzene (Rez, 1,4-dihydroxybenzene (Hi, 1,2,3-trihydroxybenzene (Pg and 1,3,5-trihydroxybenzene (Fg in aqueous solutions of hydrochloric acid with different values of the Hammett acidity function(H0 have two absorption bands in the region between 190-220 nm and 260-290 nm. This behavior is similar in another mineral acids (H2SO4, H3PO4, HClO4. The absorbance decreases with increasing of acidity (with decreasing of H0 values because of O-protonation. The absorption maxima shift to longer wavelengths, and the graphic dependence of the absorption of the second band as a function of H0 gives characteristic S-curves. These curves show the different effect of the acid on the form the protonation of the investigated hydroxybenzenes. The potonation constants of the hydroxybenzenes were calculated: pKFen=-1.95; pKRez=-2.40; pKHi= -1.93; pKPg=-2.95; pKFg=-1.83.

  11. More on lensing by a cosmological constant

    Science.gov (United States)

    Ishak, M.; Rindler, W.; Dossett, J.

    2010-04-01

    The question of whether or not the cosmological constant affects the bending of light around a concentrated mass has been the subject of some recent papers. We present here a simple, specific and transparent example where Λ bending clearly takes place, and where it is clearly neither a coordinate effect nor an aberration effect. We then show that in some recent works using perturbation theory the Λ contribution was missed because of initial too stringent smallness assumptions. Namely, our method has been to insert a Kottler (Schwarzschild with Λ) vacuole into a Friedmann universe, and to calculate the total bending within the vacuole. We assume that no more bending occurs outside. It is important to observe that while the mass contribution to the bending takes place mainly quite near the lens, the Λ bending continues throughout the vacuole. Thus, if one deliberately restricts one's search for Λ bending to the immediate neighbourhood of the lens, one will not find it. Lastly, we show that the Λ bending also follows from standard Weyl focusing, and so again, it cannot be a coordinate effect.

  12. An Alcohol Test for Drifting Constants

    Science.gov (United States)

    Jansen, P.; Bagdonaite, J.; Ubachs, W.; Bethlem, H. L.; Kleiner, I.; Xu, L.-H.

    2013-06-01

    The Standard Model of physics is built on the fundamental constants of nature, however without providing an explanation for their values, nor requiring their constancy over space and time. Molecular spectroscopy can address this issue. Recently, we found that microwave transitions in methanol are extremely sensitive to a variation of the proton-to-electron mass ratio μ, due to a fortuitous interplay between classically forbidden internal rotation and rotation of the molecule as a whole. In this talk, we will explain the origin of this effect and how the sensitivity coefficients in methanol are calculated. In addition, we set a limit on a possible cosmological variation of μ by comparing transitions in methanol observed in the early Universe with those measured in the laboratory. Based on radio-astronomical observations of PKS1830-211, we deduce a constraint of Δμ/μ=(0.0± 1.0)× 10^{-7} at redshift z = 0.89, corresponding to a look-back time of 7 billion years. While this limit is more constraining and systematically more robust than previous ones, the methanol method opens a new search territory for probing μ-variation on cosmological timescales. P. Jansen, L.-H. Xu, I. Kleiner, W. Ubachs, and H.L. Bethlem Phys. Rev. Lett. {106}(100801) 2011. J. Bagdonaite, P. Jansen, C. Henkel, H.L. Bethlem, K.M. Menten, and W. Ubachs Science {339}(46) 2013.

  13. Solid-state energetics and electrostatics: Madelung constants and Madelung energies.

    Science.gov (United States)

    Glasser, Leslie

    2012-02-20

    The Madelung constants of ionic solids relate to their geometry and electrostatic interactions. Furthermore, because of issues in their evaluation, they are also of considerable mathematical interest. The corresponding Madelung (electrostatic, coulomb) energy is the principal contributor to the lattice energies of ionic systems, and these energies largely influence many of their physical properties. The Madelung constants are here defined and their properties considered. A difficulty with their application is that they may be defined relative to various lattice distances, and with various conventions for inclusion of the charges, leading to possible confusion in their use. Instead, the unambiguous Madelung energy, E(M), is to be preferred in chemistry. An extensive list of Madelung energies is presented. From this data set, it is observed that there is a strong linear correlation between the lattice energies of ionic solids, U(POT), and their Madelung energies: U(POT)/kJ mol(-1) = 0.8519E(M) + 293.9. This correlation establishes that the lattice energy, U(POT), for ionic solids is about 15% smaller than the attractive Madelung energy, the difference arising from the repulsions unaccounted for by the solely coulombic Madelung energy calculation. Correlations of U(POT) against E(M) for alkali metal hydrides and transition metal compounds, each having considerable covalency, show much reduced Madelung contributions to the lattice energy. These correlations permit ready estimation of lattice energies, and are the first to be based on actual data rather than a broad analysis. The independent volume-based thermodynamic (VBT) method, which relies on a separate correlation with the formula unit volume of the ionic material, complements these correlations.

  14. Volume uterino em adolescentes avaliado pela ultra-sonografia Uterine volume in teenagers evaluated by ultrasound

    Directory of Open Access Journals (Sweden)

    Francisco Mauad Filho

    2003-01-01

    Full Text Available OBJETIVO: avaliar o volume uterino de mulheres entre 10 e 40 anos, verificando-se se o volume uterino de adolescentes é menor que o volume uterino de mulheres entre 20 e 40 anos. Procuram-se enfatizar as diferenças entre o volume uterino de adolescentes e mulheres adultas correlacionando-as com a imaturidade do trato genital de adolescentes para a gravidez e o parto. MÉTODOS: estudo transversal, no qual 828 pacientes entre 10 e 40 anos foram divididas em dois grupos e avaliadas por meio da ultra-sonografia transabdominal para aferição do volume uterino. O primeiro grupo (Ad foi formado por 477 (57,7% adolescentes e o segundo grupo (Ma por 351 (42,3% mulheres adultas entre 20 e 40 anos. No grupo Ad, os exames ultra-sonográficos foram realizados por um único observador e no grupo Ma, por um grupo de médicos que seguiram a mesma metodologia utilizada no grupo Ad. Os aparelhos ultra-sonográficos utilizados foram Image Point HX (Hewlett Packard e Hitachi 525, com transdutor convexo multifreqüencial. O cálculo do volume uterino foi obtido pelos diâmetros longitudinal (DL, ântero-posterior (DAP e transverso (DT, multiplicados pela constante 0,45. RESULTADOS: o volume uterino de adolescentes entre 10 e 17 anos foi menor que o volume uterino de mulheres entre 20 e 40 anos (p0,05. CONCLUSÃO: o volume uterino de adolescentes com menos de 18 anos ou primíparas é menor que o volume uterino de mulheres entre 20 e 40 anos. Entretanto, adolescentes com 18 anos ou mais, ou secundíparas, têm volume uterino similar ao volume uterino de mulheres entre 20 e 40 anos.PURPOSE: to evaluate the uterine volume in women between 10 and 40 years in order to observe if the uterine volume in adolescents is smaller than the uterine volume in women between 20 and 40 years. We intend to emphasize the differences between the uterine volume of adolescents and that of adult women and to correlate with the immaturity of the genital tract of adolescents regarding

  15. Rapid estimate of solid volume in large tuff cores using a gas pycnometer

    Energy Technology Data Exchange (ETDEWEB)

    Thies, C. [ed.; Geddis, A.M.; Guzman, A.G. [and others

    1996-09-01

    A thermally insulated, rigid-volume gas pycnometer system has been developed. The pycnometer chambers have been machined from solid PVC cylinders. Two chambers confine dry high-purity helium at different pressures. A thick-walled design ensures minimal heat exchange with the surrounding environment and a constant volume system, while expansion takes place between the chambers. The internal energy of the gas is assumed constant over the expansion. The ideal gas law is used to estimate the volume of solid material sealed in one of the chambers. Temperature is monitored continuously and incorporated into the calculation of solid volume. Temperature variation between measurements is less than 0.1{degrees}C. The data are used to compute grain density for oven-dried Apache Leap tuff core samples. The measured volume of solid and the sample bulk volume are used to estimate porosity and bulk density. Intrinsic permeability was estimated from the porosity and measured pore surface area and is compared to in-situ measurements by the air permeability method. The gas pycnometer accommodates large core samples (0.25 m length x 0.11 m diameter) and can measure solid volume greater than 2.20 cm{sup 3} with less than 1% error.

  16. Theoretical study of hyperfine structure constants of Ga isotopes

    Science.gov (United States)

    Wang, Q. M.; Li, J. G.; Fritzsche, S.; Godefroid, M.; Chang, Z. W.; Dong, C. Z.

    2012-11-01

    The hyperfine structure constants for the ground 4s24p 2P°3/2 and lowest excited states 4s25s 2S1/2 of 71Ga are calculated using the GRASP2K package based on the multi-configuration Dirac-Hartree-Fock method. Furthermore, the magnetic dipole (μ) and the electric quadrupole (Q) moments of the Ga isotopes from 67Ga to 81Ga are derived.

  17. Quasi-equilibrium channel model of an constant current arc

    OpenAIRE

    Gerasimov Alexander V.; Kirpichnikov Alexander P.

    2003-01-01

    The rather simple method of calculation of electronic and gas temperature in the channel of arc of plasma generator is offered. This method is based on self-consistent two-temperature channel model of an electric arc. The method proposed enables to obtain radial allocation of gas and electronic temperatures in a non-conducting zone of an constant current arc, for prescribed parameters of discharge (current intensity and power of the discharge), with enough good precision. The results obtained...

  18. Quasi-equilibrium channel model of an constant current arc

    Directory of Open Access Journals (Sweden)

    Gerasimov Alexander V.

    2003-01-01

    Full Text Available The rather simple method of calculation of electronic and gas temperature in the channel of arc of plasma generator is offered. This method is based on self-consistent two-temperature channel model of an electric arc. The method proposed enables to obtain radial allocation of gas and electronic temperatures in a non-conducting zone of an constant current arc, for prescribed parameters of discharge (current intensity and power of the discharge, with enough good precision. The results obtained can be used in model and engineering calculations to estimate gas and electronic temperatures in the channel of an arc plasma generator.

  19. Constant temperature description of the nuclear level densities

    Science.gov (United States)

    Horoi, Mihai; Dissanayake, Jayani

    2017-12-01

    The spin and parity dependent nuclear level densities (NLD) are calculated for medium-heavy nuclei using shell model techniques. The NLD are used to calculate cross sections and reaction rates of interest for nuclear astrophysics and nuclear energy applications. We investigate a new approach of describing the shell model NLD via a constant temperature parametrization. This approach provides new information about the effects of symmetries on the temperature of the low-lying nuclear states, and it is shown to be more versatile for applications.

  20. Henry's law constants of chlorinated solvents at elevated temperatures.

    Science.gov (United States)

    Chen, Fei; Freedman, David L; Falta, Ronald W; Murdoch, Lawrence C

    2012-01-01

    Henry's law constants for 12 chlorinated volatile organic compounds (CVOCs) were measured as a function of temperature ranging from 8 to 93°C, using the modified equilibrium partitioning in closed system (EPICS) method. The chlorinated compounds include tetrachloroethylene, trichloroethylene, cis-1,2-dichloroethylene, vinyl chloride, 1,1,1-trichloroethane, 1,1-dichloroethane, 1,2-dichloroethane, chloroethane, carbon tetrachloride, chloroform, dichloromethane, and chloromethane. The variation in Henry's constants for these compounds as a function of temperature ranged from around 3-fold (chloroethane) to 30-fold (1,2-dichloroethane). Aqueous solubilities of the pure compounds were measured over the temperature range of 8-75°C. The temperature dependence of Henry's constant was predicted using the ratio of pure vapor pressure to aqueous solubility, both of which are functions of temperature. The calculated Henry's constants are in a reasonable agreement with the measured results. With the improved data on Henry's law constants at high temperatures measured in this study, it will be possible to more accurately model subsurface remediation processes that operate near the boiling point of water. Published by Elsevier Ltd.

  1. External bulb variable volume maser

    Science.gov (United States)

    Reinhardt, V. S.; Cervenka, P. O. (Inventor)

    1978-01-01

    A maser functioning as a frequency standard stable to one part in 10 to the 14th power includes a variable volume, constant surface area storage bulb having a fixed volume portion located in a resonant cavity from which the frequency standard is derived. A variable volume portion of the bulb, exterior to the resonant cavity, has a maximum volume on the same order of magnitude as the fixed volume bulb portion. The cavity has a length to radius ratio of at least 3:1 so that the operation is attained without the need for a feedback loop. A baffle plate, between the fixed and variable volume bulb portions, includes apertures for enabling hydrogen atoms to pass between the two bulb portions and is an electromagnetic shield that prevents coupling of the electromagnetic field of the cavity into the variable volume bulb portion.

  2. Lattice QCD Calculation of Nucleon Structure

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Keh-Fei [University of Kentucky, Lexington, KY (United States). Dept. of Physics and Astronomy; Draper, Terrence [University of Kentucky, Lexington, KY (United States). Dept. of Physics and Astronomy

    2016-08-30

    It is emphasized in the 2015 NSAC Long Range Plan that "understanding the structure of hadrons in terms of QCD's quarks and gluons is one of the central goals of modern nuclear physics." Over the last three decades, lattice QCD has developed into a powerful tool for ab initio calculations of strong-interaction physics. Up until now, it is the only theoretical approach to solving QCD with controlled statistical and systematic errors. Since 1985, we have proposed and carried out first-principles calculations of nucleon structure and hadron spectroscopy using lattice QCD which entails both algorithmic development and large-scale computer simulation. We started out by calculating the nucleon form factors -- electromagnetic, axial-vector, πNN, and scalar form factors, the quark spin contribution to the proton spin, the strangeness magnetic moment, the quark orbital angular momentum, the quark momentum fraction, and the quark and glue decomposition of the proton momentum and angular momentum. The first round of calculations were done with Wilson fermions in the `quenched' approximation where the dynamical effects of the quarks in the sea are not taken into account in the Monte Carlo simulation to generate the background gauge configurations. Beginning in 2000, we have started implementing the overlap fermion formulation into the spectroscopy and structure calculations. This is mainly because the overlap fermion honors chiral symmetry as in the continuum. It is going to be more and more important to take the symmetry into account as the simulations move closer to the physical point where the u and d quark masses are as light as a few MeV only. We began with lattices which have quark masses in the sea corresponding to a pion mass at ~ 300 MeV and obtained the strange form factors, charm and strange quark masses, the charmonium spectrum and the Ds meson decay constant fDs, the strangeness and charmness, the meson mass

  3. Axiomatic approach to the cosmological constant

    Science.gov (United States)

    Beck, Christian

    2009-09-01

    A theory of the cosmological constant Λ is currently out of reach. Still, one can start from a set of axioms that describe the most desirable properties a cosmological constant should have. This can be seen in certain analogy to the Khinchin axioms in information theory, which fix the most desirable properties an information measure should have and that ultimately lead to the Shannon entropy as the fundamental information measure on which statistical mechanics is based. Here we formulate a set of axioms for the cosmological constant in close analogy to the Khinchin axioms, formally replacing the dependence of the information measure on probabilities of events by a dependence of the cosmological constant on the fundamental constants of nature. Evaluating this set of axioms one finally arrives at a formula for the cosmological constant given by Λ=1ħG(, where G is the gravitational constant, me the electron mass, and α the low-energy limit of the fine structure constant. This formula is in perfect agreement with current WMAP data. Our approach gives physical meaning to the Eddington-Dirac large-number hypothesis and suggests that the observed value of the cosmological constant is not at all unnatural.

  4. A natural cosmological constant from chameleons

    Energy Technology Data Exchange (ETDEWEB)

    Nastase, Horatiu, E-mail: nastase@ift.unesp.br [Instituto de Física Teórica, UNESP-Universidade Estadual Paulista, R. Dr. Bento T. Ferraz 271, Bl. II, Sao Paulo 01140-070, SP (Brazil); Weltman, Amanda, E-mail: amanda.weltman@uct.ac.za [Astrophysics, Cosmology & Gravity Center, Department of Mathematics and Applied Mathematics, University of Cape Town, Private Bag, Rondebosch 7700 (South Africa)

    2015-07-30

    We present a simple model where the effective cosmological constant appears from chameleon scalar fields. For a Kachru–Kallosh–Linde–Trivedi (KKLT)-inspired form of the potential and a particular chameleon coupling to the local density, patches of approximately constant scalar field potential cluster around regions of matter with density above a certain value, generating the effect of a cosmological constant on large scales. This construction addresses both the cosmological constant problem (why Λ is so small, yet nonzero) and the coincidence problem (why Λ is comparable to the matter density now)

  5. A natural cosmological constant from chameleons

    Directory of Open Access Journals (Sweden)

    Horatiu Nastase

    2015-07-01

    Full Text Available We present a simple model where the effective cosmological constant appears from chameleon scalar fields. For a Kachru–Kallosh–Linde–Trivedi (KKLT-inspired form of the potential and a particular chameleon coupling to the local density, patches of approximately constant scalar field potential cluster around regions of matter with density above a certain value, generating the effect of a cosmological constant on large scales. This construction addresses both the cosmological constant problem (why Λ is so small, yet nonzero and the coincidence problem (why Λ is comparable to the matter density now.

  6. Descriptors for predicting the lattice constant of body centered cubic crystal

    Science.gov (United States)

    Takahashi, Keisuke; Takahashi, Lauren; Baran, Jakub D.; Tanaka, Yuzuru

    2017-05-01

    The prediction of the lattice constant of binary body centered cubic crystals is performed in terms of first principle calculations and machine learning. In particular, 1541 binary body centered cubic crystals are calculated using density functional theory. Results from first principle calculations, corresponding information from periodic table, and mathematically tailored data are stored as a dataset. Data mining reveals seven descriptors which are key to determining the lattice constant where the contribution of descriptors is also discussed and visualized. Support vector regression (SVR) technique is implemented to train the data where the predicted lattice constants have the mean score of 83.6% accuracy via cross-validation and maximum error of 4% when compared to experimentally determined lattice constants. In addition, trained SVR is successful in predicting material combinations from a desired lattice constant. Thus, a set of descriptors for determining the lattice constant is identified and can be used as a base descriptor for lattice constants of further complex crystals. This would allow for the acceleration of the search for lattice constants of desired atomic compositions as well as the prediction of new materials based on a specified lattice constant.

  7. New Recursive Representations for the Favard Constants with Application to Multiple Singular Integrals and Summation of Series

    Directory of Open Access Journals (Sweden)

    Snezhana Georgieva Gocheva-Ilieva

    2013-01-01

    Full Text Available There are obtained integral form and recurrence representations for some Fourier series and connected with them Favard constants. The method is based on preliminary integration of Fourier series which permits to establish general recursion formulas for Favard constants. This gives the opportunity for effective summation of infinite series and calculation of some classes of multiple singular integrals by the Favard constants.

  8. Constant Width Planar Computation Characterizes ACC0

    DEFF Research Database (Denmark)

    Hansen, K.A.

    2004-01-01

    We obtain a characterization of ACC 0 in terms of a natural class of constant width circuits, namely in terms of constant width polynomial size planar circuits. This is shown via a characterization of the class of acyclic digraphs which can be embedded on a cylinder surface in such a way that all...

  9. Stability constants for silicate adsorbed to ferrihydrite

    DEFF Research Database (Denmark)

    Hansen, Hans Christian Bruun; Wetche, T.P.; Raulund-Rasmussen, Karsten

    1994-01-01

    Intrinsic surface acidity constants (K(a1)intr, K(a2)intr) and surface complexation constant for adsorption of orthosilicate onto synthetic ferrihydrite (K(Si) for the complex = FeOSi(OH)3) have been determined from acid/base titrations in 0.001-0.1 m NaClO4 electrolytes and silicate adsorption e...

  10. The case for the cosmological constant

    Indian Academy of Sciences (India)

    I present a short overview of current observational results and theoretical models for a cosmological constant. The main motivation for invoking a small cosmological constant (or -term) at the present epoch has to do with observations of high redshift Type Ia supernovae which suggest an accelerating universe.

  11. The case for the cosmological constant

    Indian Academy of Sciences (India)

    Abstract. I present a short overview of current observational results and theoretical models for a cosmological constant. The main motivation for invoking a small cosmological constant (orA-term) at the present epoch has to do with observations of high redshift Type Ia supernovae which suggest an accelerating universe.

  12. DETERMINATION OF STABILITY CONSTANTS OF MANGANESE (II ...

    African Journals Online (AJOL)

    DR. AMINU

    Keywords: Amino acids, dissociation constant, potentiometry, stability constant. INTRODUCTION. Acids – base titration involves the gradual addition or removal of protons for example using the deprotic form of glycine. The plot has two distinct stages corresponding to the deprotonation of the two different groups on glycine.

  13. Fullerene derivatives with increased dielectric constants

    NARCIS (Netherlands)

    Jahani, Fatemeh; Torabi, Solmaz; Chiechi, Ryan C; Koster, L Jan Anton; Hummelen, Jan C

    2014-01-01

    The invention of new organic materials with high dielectric constants is of extreme importance for the development of organic-based devices such as organic solar cells. We report on a synthetic way to increase the dielectric constant of fullerene derivatives. It is demonstrated that introducing

  14. Electromechanical systems generating constant frequency alternating current

    Directory of Open Access Journals (Sweden)

    Т.А. Мазур

    2008-01-01

    Full Text Available  In the article we consider the usage of electromechanical drivers of constant speed rotation, which is based on many stepped electrodynamic reduction unit, in onboard main systems of electric supply of alternative current with constant frequency.

  15. Shapley value for constant-sum games

    NARCIS (Netherlands)

    Khmelnitskaya, Anna Borisovna

    2003-01-01

    It is proved that Young’s [4] axiomatization for the Shapley value by marginalism, efficiency, and symmetry is still valid for the Shapley value defined on the class of nonnegative constant-sum games with nonzero worth of grand coalition and on the entire class of constant-sum games as well.

  16. Graviton fluctuations erase the cosmological constant

    Science.gov (United States)

    Wetterich, C.

    2017-10-01

    Graviton fluctuations induce strong non-perturbative infrared renormalization effects for the cosmological constant. The functional renormalization flow drives a positive cosmological constant towards zero, solving the cosmological constant problem without the need to tune parameters. We propose a simple computation of the graviton contribution to the flow of the effective potential for scalar fields. Within variable gravity, with effective Planck mass proportional to the scalar field, we find that the potential increases asymptotically at most quadratically with the scalar field. The solutions of the derived cosmological equations lead to an asymptotically vanishing cosmological ;constant; in the infinite future, providing for dynamical dark energy in the present cosmological epoch. Beyond a solution of the cosmological constant problem, our simplified computation also entails a sizeable positive graviton-induced anomalous dimension for the quartic Higgs coupling in the ultraviolet regime, substantiating the successful prediction of the Higgs boson mass within the asymptotic safety scenario for quantum gravity.

  17. Acute effects of constant torque and constant angle stretching on the muscle and tendon tissue properties.

    Science.gov (United States)

    Konrad, Andreas; Budini, Francesco; Tilp, Markus

    2017-08-01

    Static stretching induces acute structural changes of the muscle-tendon unit (MTU) that are related to the intensity or duration of stretching. It has been reported that stretching with a constant torque (CT) leads to greater joint range of motion changes than stretching with a constant angle (CA). Whether or not this difference is due to different structural changes of the MTUs of the lower leg and ankle plantar flexors is not known. Therefore, the purpose of this study was to compare the acute effects of single CA and CT stretching on various muscle and tendon mechanical properties. Seventeen young, healthy volunteers were tested on two separate days using either CT or CA stretching (4 × 30 s each). Before and after stretching, dorsiflexion range of motion (RoM), passive resistive torque (PRT), and maximum voluntary contraction (MVC) were measured with a dynamometer. Ultrasonography of the medial gastrocnemius (GM) muscle-tendon junction (MTJ) displacement allowed us to determine the length changes in the tendon and muscle, respectively, and hence to calculate their stiffness. Maximum dorsiflexion increased while PRT, muscle-tendon stiffness, and muscle stiffness decreased following both CA and CT stretching. There was a greater increase in RoM following CT stretching compared to CA stretching. Moreover, the decline in PRT was greater during CT stretching compared to CA stretching. As expected, several functional adaptations (RoM, PRT) were different between CT and CA stretching due to the higher intensity of CT stretching. However, no structural differences in the adaptations to the stretching modalities could be detected. We suggest that the different functional adaptations between CA and CT stretching are the consequence of different adaptations in the perception of stretch and pain.

  18. Decay constants in soft wall AdS/QCD revisited

    Energy Technology Data Exchange (ETDEWEB)

    Braga, Nelson R.F., E-mail: braga@if.ufrj.br [Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, RJ 21941-972 (Brazil); Diles, Saulo, E-mail: smdiles@if.ufrj.br [Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, RJ 21941-972 (Brazil); Contreras, M.A. Martin, E-mail: ma.martin41@uniandes.edu.co [High Energy Group, Department of Physics, Universidad de los Andes, Carrera 1, No 18A-10, Bloque Ip, ZIP 111711, Bogotá (Colombia)

    2016-12-10

    Phenomenological AdS/QCD models, like hard wall and soft wall, provide hadronic mass spectra in reasonable consistency with experimental and (or) lattice results. These simple models are inspired in the AdS/CFT correspondence and assume that gauge/gravity duality holds in a scenario where conformal invariance is broken through the introduction of an energy scale. Another important property of hadrons: the decay constant, can also be obtained from these models. However, a consistent formulation of an AdS/QCD model that reproduces the observed behavior of decay constants of vector meson excited states is still lacking. In particular: for radially excited states of heavy vector mesons, the experimental data lead to decay constants that decrease with the radial excitation level. We show here that a modified framework of soft wall AdS/QCD involving an additional dimensionfull parameter, associated with an ultraviolet energy scale, provides decay constants decreasing with radial excitation level. In this version of the soft wall model the two point function of gauge theory operators is calculated at a finite position of the anti-de Sitter space radial coordinate.

  19. A Concise Handbook of Mathematics, Volume 2,

    Science.gov (United States)

    The document is part two of a two volume handbook of mathematics . The volume contains chapters on integral calculation, differential equations, mathematical analysis, data evaluation, and an appendix on integral equations.

  20. Ground State of the Universe and the Cosmological Constant. A Nonperturbative Analysis.

    Science.gov (United States)

    Husain, Viqar; Qureshi, Babar

    2016-02-12

    The physical Hamiltonian of a gravity-matter system depends on the choice of time, with the vacuum naturally identified as its ground state. We study the expanding Universe with scalar field in the volume time gauge. We show that the vacuum energy density computed from the resulting Hamiltonian is a nonlinear function of the cosmological constant and time. This result provides a new perspective on the relation between time, the cosmological constant, and vacuum energy.

  1. On the use of SERPENT Monte Carlo code to generate few group diffusion constants

    Energy Technology Data Exchange (ETDEWEB)

    Piovezan, Pamela, E-mail: pamela.piovezan@ctmsp.mar.mil.b [Centro Tecnologico da Marinha em Sao Paulo (CTMSP), Sao Paulo, SP (Brazil); Carluccio, Thiago; Domingos, Douglas Borges; Rossi, Pedro Russo; Mura, Luiz Felipe, E-mail: fermium@cietec.org.b, E-mail: thiagoc@ipen.b [Fermium Tecnologia Nuclear, Sao Paulo, SP (Brazil); Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2011-07-01

    The accuracy of diffusion reactor codes strongly depends on the quality of the groups constants processing. For many years, the generation of such constants was based on 1-D infinity cell transport calculations. Some developments using collision probability or the method of characteristics allow, nowadays, 2-D assembly group constants calculations. However, these 1-D and 2-D codes how some limitations as , for example, on complex geometries and in the neighborhood of heavy absorbers. On the other hand, since Monte Carlos (MC) codes provide accurate neutro flux distributions, the possibility of using these solutions to provide group constants to full-core reactor diffusion simulators has been recently investigated, especially for the cases in which the geometry and reactor types are beyond the capability of the conventional deterministic lattice codes. The two greatest difficulties on the use of MC codes to group constant generation are the computational costs and the methodological incompatibility between analog MC particle transport simulation and deterministic transport methods based in several approximations. The SERPENT code is a 3-D continuous energy MC transport code with built-in burnup capability that was specially optimized to generate these group constants. In this work, we present the preliminary results of using the SERPENT MC code to generate 3-D two-group diffusion constants for a PWR like assembly. These constants were used in the CITATION diffusion code to investigate the effects of the MC group constants determination on the neutron multiplication factor diffusion estimate. (author)

  2. Constants and Pseudo-Constants of Coupled Beam Motion in the PEP-II Rings

    Energy Technology Data Exchange (ETDEWEB)

    Decker, F.J.; Colocho, W.S.; Wang, M.H.; Yan, Y.T.; Yocky, G.; /SLAC

    2011-11-01

    Constants of beam motion help as cross checks to analyze beam diagnostics and the modeling procedure. Pseudo-constants, like the betatron mismatch parameter or the coupling parameter det C, are constant till certain elements in the beam line change them. This can be used to visually find the non-desired changes, pinpointing errors compared with the model.

  3. Interacting universes and the cosmological constant

    Energy Technology Data Exchange (ETDEWEB)

    Alonso-Serrano, A. [Centro de Física “Miguel Catalán”, Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 121, 28006 Madrid (Spain); Estación Ecológica de Biocosmología, Pedro de Alvarado 14, 06411 Medellín (Spain); Bastos, C. [Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Avenida Rovisco Pais 1, 1049-001 Lisboa (Portugal); Bertolami, O. [Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Avenida Rovisco Pais 1, 1049-001 Lisboa (Portugal); Departamento de Física e Astronomia, Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal); Robles-Pérez, S., E-mail: salvarp@imaff.cfmac.csic.es [Centro de Física “Miguel Catalán”, Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 121, 28006 Madrid (Spain); Estación Ecológica de Biocosmología, Pedro de Alvarado 14, 06411 Medellín (Spain); Física Teórica, Universidad del País Vasco, Apartado 644, 48080 Bilbao (Spain)

    2013-02-12

    In this Letter it is studied the effects that an interaction scheme among universes can have in the values of their cosmological constants. In the case of two interacting universes, the value of the cosmological constant of one of the universes becomes very close to zero at the expense of an increasing value of the cosmological constant of the partner universe. In the more general case of a chain of N interacting universes with periodic boundary conditions, the spectrum of the Hamiltonian splits into a large number of levels, each of them associated with a particular value of the cosmological constant, that can be occupied by single universes revealing a collective behavior that plainly shows that the multiverse is much more than the mere sum of its parts.

  4. Graviton fluctuations erase the cosmological constant

    Directory of Open Access Journals (Sweden)

    C. Wetterich

    2017-10-01

    Full Text Available Graviton fluctuations induce strong non-perturbative infrared renormalization effects for the cosmological constant. The functional renormalization flow drives a positive cosmological constant towards zero, solving the cosmological constant problem without the need to tune parameters. We propose a simple computation of the graviton contribution to the flow of the effective potential for scalar fields. Within variable gravity, with effective Planck mass proportional to the scalar field, we find that the potential increases asymptotically at most quadratically with the scalar field. The solutions of the derived cosmological equations lead to an asymptotically vanishing cosmological “constant” in the infinite future, providing for dynamical dark energy in the present cosmological epoch. Beyond a solution of the cosmological constant problem, our simplified computation also entails a sizeable positive graviton-induced anomalous dimension for the quartic Higgs coupling in the ultraviolet regime, substantiating the successful prediction of the Higgs boson mass within the asymptotic safety scenario for quantum gravity.

  5. The time constant of the somatogravic illusion

    NARCIS (Netherlands)

    Correia Grácio, B.J.; Winkel, K.N. de; Groen, E.L.; Wentink, M.; Bos, J.E.

    2013-01-01

    Met desdemona hebben we gevonden dat de tijd constante van de somatografische illusie rond twee seconden is. Dit resultaat verschilt van wat was gevonden in ander onderzoek dat gebruikt maakt van een gewone centrifuge

  6. Building evolutionary architectures support constant change

    CERN Document Server

    Ford, Neal; Kua, Patrick

    2017-01-01

    The software development ecosystem is constantly changing, providing a constant stream of new tools, frameworks, techniques, and paradigms. Over the past few years, incremental developments in core engineering practices for software development have created the foundations for rethinking how architecture changes over time, along with ways to protect important architectural characteristics as it evolves. This practical guide ties those parts together with a new way to think about architecture and time.

  7. Trialogue on the number of fundamental constants

    CERN Document Server

    Duff, Michael J; Veneziano, Gabriele

    2002-01-01

    This paper consists of three separate articles on the number of fundamental dimensionful constants in physics. We started our debate in summer 1992 on the terrace of the famous CERN cafeteria. In the summer of 2001 we returned to the subject to find that our views still diverged and decided to explain our current positions. LBO develops the traditional approach with three constants, GV argues in favor of just two, while MJD advocates zero.

  8. Analytical model for relativistic corrections to the nuclear magnetic shielding constant in atoms

    Energy Technology Data Exchange (ETDEWEB)

    Romero, Rodolfo H. [Facultad de Ciencias Exactas, Universidad Nacional del Nordeste, Avenida Libertad 5500 (3400), Corrientes (Argentina)]. E-mail: rhromero@exa.unne.edu.ar; Gomez, Sergio S. [Facultad de Ciencias Exactas, Universidad Nacional del Nordeste, Avenida Libertad 5500 (3400), Corrientes (Argentina)

    2006-04-24

    We present a simple analytical model for calculating and rationalizing the main relativistic corrections to the nuclear magnetic shielding constant in atoms. It provides good estimates for those corrections and their trends, in reasonable agreement with accurate four-component calculations and perturbation methods. The origin of the effects in deep core atomic orbitals is manifestly shown.

  9. ARTICLE Predicting Rate Constants for Nucleophilic Reactions of Amines with Diarylcarbenium Ions Using an ONIOM Method

    Science.gov (United States)

    Zhang, Zhi-ping; Wang, Chen; Fu, Yao; Guo, Qing-xiang

    2010-12-01

    The rate constants of the nucleophilic reactions between amines and benzhydrylium ions were calculated using first-principles theoretical methods. Solvation models including PCM, CPCM, and COSMORS, as well as different types of atomic radii including UA0, UAKS, UAHF, Bondi, and UFF, and several single-point energy calculation methods (B3LYP, B3P86, B3PW91, BHANDH, PBEPBE, BMK, M06, MP2, and ONIOM method) were examined. By comparing the correlation between experimental rate constants and the calculated values, the ONIOM(CCSD(T)/6-311++G(2df,2p):B3LYP/6-311++G(2df,2p))// B3LYP/6-31G(d)/PCM/UFF) method was found to perform the best. This method was then employed to calculate the rate constants of the reactions between diverse amines and diarylcarbenium ions. The calculated rate constants for 65 reactions of amines with diarylcarbenium ions are in agreement with the experimental values, indicating that it is feasible to predict the rate constant of a reaction between an amine and a diarylcarbenium ion through ab initio calculation.

  10. IPC - Isoelectric Point Calculator.

    Science.gov (United States)

    Kozlowski, Lukasz P

    2016-10-21

    Accurate estimation of the isoelectric point (pI) based on the amino acid sequence is useful for many analytical biochemistry and proteomics techniques such as 2-D polyacrylamide gel electrophoresis, or capillary isoelectric focusing used in combination with high-throughput mass spectrometry. Additionally, pI estimation can be helpful during protein crystallization trials. Here, I present the Isoelectric Point Calculator (IPC), a web service and a standalone program for the accurate estimation of protein and peptide pI using different sets of dissociation constant (pKa) values, including two new computationally optimized pKa sets. According to the presented benchmarks, the newly developed IPC pKa sets outperform previous algorithms by at least 14.9 % for proteins and 0.9 % for peptides (on average, 22.1 % and 59.6 %, respectively), which corresponds to an average error of the pI estimation equal to 0.87 and 0.25 pH units for proteins and peptides, respectively. Moreover, the prediction of pI using the IPC pKa's leads to fewer outliers, i.e., predictions affected by errors greater than a given threshold. The IPC service is freely available at http://isoelectric.ovh.org Peptide and protein datasets used in the study and the precalculated pI for the PDB and some of the most frequently used proteomes are available for large-scale analysis and future development. This article was reviewed by Frank Eisenhaber and Zoltán Gáspári.

  11. Calculation of time constants for intracellular diffusion in whole cell patch clamp configuration

    OpenAIRE

    Oliva, C.; Cohen, I.S.; Mathias, R T

    1988-01-01

    We present a simplified model to identify and analyze the important variables governing the diffusion of substances from pipettes into canine cardiac Purkinje cells in the whole cell patch clamp configuration. We show that diffusion of substances through the pipette is the major barrier for equilibration of the pipette and cellular contents. We solve numerically the one-dimensional diffusion equation for different pipette geometries, and we derive a simple analytic equation which allows one t...

  12. Archives of ALGA. Volume 2

    OpenAIRE

    2005-01-01

    Volume 2 contains 3 articles: Ilir Berisha, Translation of Bäcklunds paper ”Surfaces of constant negative curvature”; Johan Erlandsson, "Survey of mathematical models in biology from point of view of Lie group analysis"; Niklas Säfström, "Group analysis of a tumour growth model"

  13. On Vanishing Two Loop Cosmological Constants in Nonsupersymmetric Strings

    Energy Technology Data Exchange (ETDEWEB)

    Kachru, S

    1998-10-22

    It has recently been suggested that in certain special nonsupersymmetric type II string compactifications, at least the first two perturbative contributions to the cosmological constant Lambda vanish. Support for perturbative vanishing beyond 1-loop (as well as evidence for the absence of some nonperturbative contributions) has come from duality arguments. There was also a direct 2-loop computation which was incomplete; in this note we explain the deficiency of the previous 2-loop calculation and discuss the complete 2-loop computation in two different models. The corrected analysis yields a vanishing 2-loop contribution to Lambda in these models.

  14. Charmed meson decay constants in three-flavor lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Aubin, C.; Bernard, C.; DeTar, C.; Di Pierro, M.; Freeland, Elizabeth D.; Gottlieb, Steven; Heller, U.M.; Hetrick, J.E.; El-Khadra, Aida X.; Kronfeld, Andreas S.; Levkova, L.; Mackenzie, P.B.; Menscher, D.; Maresca, F.; Nobes, M.; Okamoto, M.; Renner, D.B.; Simone, J.; Sugar, R.; Toussaint, D.; Trottier, H.D.; /Art Inst. of Chicago /Columbia

    2005-06-01

    The authors present the first lattice QCD calculation with realistic sea quark content of the D{sup +}-meson decay constant f{sub D+}. They use the MILC Collaboration's publicly available ensembles of lattice gauge fields, which have a quark sea with two flavors (up and down) much lighter than a third (strange). They obtain f{sub D+} = 201 {+-} 3 {+-} 17 MeV, where the errors are statistical and a combination of systematic errors. They also obtain f{sub D{sub s}} = 249 {+-} 3 {+-} 16 MeV for the D{sub s} meson.

  15. Calculating potential error in sodium MRI with respect to the analysis of small objects.

    Science.gov (United States)

    Stobbe, Robert W; Beaulieu, Christian

    2017-10-11

    To facilitate correct interpretation of sodium MRI measurements, calculation of error with respect to rapid signal decay is introduced and combined with that of spatially correlated noise to assess volume-of-interest (VOI) 23 Na signal measurement inaccuracies, particularly for small objects. Noise and signal decay-related error calculations were verified using twisted projection imaging and a specially designed phantom with different sized spheres of constant elevated sodium concentration. As a demonstration, lesion signal measurement variation (5 multiple sclerosis participants) was compared with that predicted from calculation. Both theory and phantom experiment showed that VOI signal measurement in a large 10-mL, 314-voxel sphere was 20% less than expected on account of point-spread-function smearing when the VOI was drawn to include the full sphere. Volume-of-interest contraction reduced this error but increased noise-related error. Errors were even greater for smaller spheres (40-60% less than expected for a 0.35-mL, 11-voxel sphere). Image-intensity VOI measurements varied and increased with multiple sclerosis lesion size in a manner similar to that predicted from theory. Correlation suggests large underestimation of 23 Na signal in small lesions. Acquisition-specific measurement error calculation aids 23 Na MRI data analysis and highlights the limitations of current low-resolution methodologies. Magn Reson Med, 2017. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

  16. Labview virtual instruments for calcium buffer calculations.

    Science.gov (United States)

    Reitz, Frederick B; Pollack, Gerald H

    2003-01-01

    Labview VIs based upon the calculator programs of Fabiato and Fabiato (J. Physiol. Paris 75 (1979) 463) are presented. The VIs comprise the necessary computations for the accurate preparation of multiple-metal buffers, for the back-calculation of buffer composition given known free metal concentrations and stability constants used, for the determination of free concentrations from a given buffer composition, and for the determination of apparent stability constants from absolute constants. As implemented, the VIs can concurrently account for up to three divalent metals, two monovalent metals and four ligands thereof, and the modular design of the VIs facilitates further extension of their capacity. As Labview VIs are inherently graphical, these VIs may serve as useful templates for those wishing to adapt this software to other platforms.

  17. Field-theoretic calculation of kinetic helicity flux

    Indian Academy of Sciences (India)

    bulence and compute the fluxes of energy and kinetic helicity. The renormalized viscosity computed using RG procedure is used in the calculation. Contrast this with the arbitrary constant used in EDQNM calculation. In addition, the EDQNM calculations require numerical integration of energy equation, which is not required.

  18. Magnetic Field Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Magnetic Field Calculator will calculate the total magnetic field, including components (declination, inclination, horizontal intensity, northerly intensity,...

  19. Alcohol Calorie Calculator

    Science.gov (United States)

    ... NIAAA College Materials Supporting Research Special Features CollegeAIM College Administrators Parents & Students Home > Special Features > Calculators > Alcohol Calorie Calculator Weekly Total 0 Calories Alcohol Calorie ...

  20. Synthesis, characterization, ab initio calculations, thermal behaviour ...

    Indian Academy of Sciences (India)

    Administrator

    through titration of the ligands with the metal ions at constant ionic strength (0⋅1 M NaClO4) and at 25°C. According to the thermodynamic studies, as the steric character of the ligand increases, the complexation tendency to VO(IV) center decreases. Also, the ab initio calculations were carried out to determine the structural ...

  1. The BIPM measurements of the Newtonian constant of gravitation, G.

    Science.gov (United States)

    Quinn, Terry; Speake, Clive; Parks, Harold; Davis, Richard

    2014-10-13

    This paper is a complement to the two short papers published in 2001 and 2013 in which we presented the results of the two BIPM determinations of the Newtonian constant of gravitation G. While this review contains no new results, it includes more detailed descriptions of certain key parameters that enter into the determination of G. Following a description of the overall method and the two versions of the experiment, we discuss the properties of the torsion strip, including the effects of anelasticity, then the electrostatic torque transducer, the source and test masses, dimensional metrology, angle measurement, the calculation and measurement of the moment of inertia, calculation of the torque, possible magnetic interactions and finally we discuss uncertainties and correlations in the derivation of a value for G. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

  2. The time dependence of fundamental constants

    Energy Technology Data Exchange (ETDEWEB)

    Udem, Thomas [Max-Planck Institut fuer Quantenoptik, Garching (Germany)

    2008-07-01

    Since Webb et al. have detected a slightly smaller fine structure constant by quasar absorption spectra about 10 billion years ago an old idea of P.A.M. Dirac from 1937 was revived. Using arguments philosophical in nature he speculated that fundamental constants should vary along with the expanding universe. For a long time the only possibility to search for these minute changes was to exploit the large look-back time of astronomical or geological observations. With the advent of frequency combs the possibility to check for these time variations in the laboratory with optical transitions in atoms, ions and molecules became readily available. Even though the time period covered by these laboratory measurements is typically 10 orders of magnitude shorter than for astronomical observations, they can be 10 orders of magnitude more accurate to provide comparable sensitivity. The question of the time dependence of fundamental constants is of high relevance in the context of modern cosmological models.

  3. Vanishing cosmological constant in elementary particles theory

    Energy Technology Data Exchange (ETDEWEB)

    Pisano, F. [Instituto de Fisica Teorica (IFT), Sao Paulo, SP (Brazil); Tonasse, M.D. [Universidade do Estado, Rio de Janeiro, RJ (Brazil). Inst. de Fisica

    1997-01-01

    The quest of a vanishing cosmological constant is considered in the simplest anomaly-free chiral gauge extension of the electroweak standard model where the new physics is limited to a well defined additional flavordynamics above the Fermi scale, namely up to a few TeVs by matching the gauge coupling constants at the electroweak scale, and with an extended Higgs structure. In contrast to the electroweak standard model, it is shown how the extended scalar sector of the theory allows a vanishing or a very small cosmological constant. the details of the cancellation mechanism are presented. At accessible energies the theory is indistinguishable from the standard model of elementary particles and it is in agreement with all existing data. (author). 32 refs. 32 refs.

  4. Small-Volume Injections: Evaluation of Volume Administration Deviation From Intended Injection Volumes.

    Science.gov (United States)

    Muffly, Matthew K; Chen, Michael I; Claure, Rebecca E; Drover, David R; Efron, Bradley; Fitch, William L; Hammer, Gregory B

    2017-10-01

    In the perioperative period, anesthesiologists and postanesthesia care unit (PACU) nurses routinely prepare and administer small-volume IV injections, yet the accuracy of delivered medication volumes in this setting has not been described. In this ex vivo study, we sought to characterize the degree to which small-volume injections (≤0.5 mL) deviated from the intended injection volumes among a group of pediatric anesthesiologists and pediatric postanesthesia care unit (PACU) nurses. We hypothesized that as the intended injection volumes decreased, the deviation from those intended injection volumes would increase. Ten attending pediatric anesthesiologists and 10 pediatric PACU nurses each performed a series of 10 injections into a simulated patient IV setup. Practitioners used separate 1-mL tuberculin syringes with removable 18-gauge needles (Becton-Dickinson & Company, Franklin Lakes, NJ) to aspirate 5 different volumes (0.025, 0.05, 0.1, 0.25, and 0.5 mL) of 0.25 mM Lucifer Yellow (LY) fluorescent dye constituted in saline (Sigma Aldrich, St. Louis, MO) from a rubber-stoppered vial. Each participant then injected the specified volume of LY fluorescent dye via a 3-way stopcock into IV tubing with free-flowing 0.9% sodium chloride (10 mL/min). The injected volume of LY fluorescent dye and 0.9% sodium chloride then drained into a collection vial for laboratory analysis. Microplate fluorescence wavelength detection (Infinite M1000; Tecan, Mannedorf, Switzerland) was used to measure the fluorescence of the collected fluid. Administered injection volumes were calculated based on the fluorescence of the collected fluid using a calibration curve of known LY volumes and associated fluorescence.To determine whether deviation of the administered volumes from the intended injection volumes increased at lower injection volumes, we compared the proportional injection volume error (loge [administered volume/intended volume]) for each of the 5 injection volumes using a linear

  5. Molecular dynamics simulations of solutions at constant chemical potential.

    Science.gov (United States)

    Perego, C; Salvalaglio, M; Parrinello, M

    2015-04-14

    Molecular dynamics studies of chemical processes in solution are of great value in a wide spectrum of applications, which range from nano-technology to pharmaceutical chemistry. However, these calculations are affected by severe finite-size effects, such as the solution being depleted as the chemical process proceeds, which influence the outcome of the simulations. To overcome these limitations, one must allow the system to exchange molecules with a macroscopic reservoir, thus sampling a grand-canonical ensemble. Despite the fact that different remedies have been proposed, this still represents a key challenge in molecular simulations. In the present work, we propose the Constant Chemical Potential Molecular Dynamics (CμMD) method, which introduces an external force that controls the environment of the chemical process of interest. This external force, drawing molecules from a finite reservoir, maintains the chemical potential constant in the region where the process takes place. We have applied the CμMD method to the paradigmatic case of urea crystallization in aqueous solution. As a result, we have been able to study crystal growth dynamics under constant supersaturation conditions and to extract growth rates and free-energy barriers.

  6. Our Universe from the cosmological constant

    Energy Technology Data Exchange (ETDEWEB)

    Barrau, Aurélien; Linsefors, Linda, E-mail: Aurelien.Barrau@cern.ch, E-mail: linda.linsefors@lpsc.in2p3.fr [Laboratoire de Physique Subatomique et de Cosmologie, Université Grenoble-Alpes, CNRS-IN2P3, 53, avenue des Martyrs, 38026 Grenoble Cedex (France)

    2014-12-01

    The issue of the origin of the Universe and of its contents is addressed in the framework of bouncing cosmologies, as described for example by loop quantum gravity. If the current acceleration is due to a true cosmological constant, this constant is naturally conserved through the bounce and the Universe should also be in a (contracting) de Sitter phase in the remote past. We investigate here the possibility that the de Sitter temperature in the contracting branch fills the Universe with radiation that causes the bounce and the subsequent inflation and reheating. We also consider the possibility that this gives rise to a cyclic model of the Universe and suggest some possible tests.

  7. f( R) constant-roll inflation

    Science.gov (United States)

    Motohashi, Hayato; Starobinsky, Alexei A.

    2017-08-01

    The previously introduced class of two-parametric phenomenological inflationary models in general relativity in which the slow-roll assumption is replaced by the more general, constant-roll condition is generalized to the case of f( R) gravity. A simple constant-roll condition is defined in the original Jordan frame, and exact expressions for a scalaron potential in the Einstein frame, for a function f( R) (in the parametric form) and for inflationary dynamics are obtained. The region of the model parameters permitted by the latest observational constraints on the scalar spectral index and the tensor-to-scalar ratio of primordial metric perturbations generated during inflation is determined.

  8. Cosmological constant, supersymmetry, nonassociativity, and big numbers

    Energy Technology Data Exchange (ETDEWEB)

    Dzhunushaliev, Vladimir [KazNU, Department of Theoretical and Nuclear Physics, Almaty (Kazakhstan); IETP, Al-Farabi KazNU, Almaty (Kazakhstan)

    2015-02-01

    The nonassociative generalization of supersymmetry is considered. It is shown that the associator of four supersymmetry generators has the coefficient ∝ ℎ/l{sub 0}{sup 2} where l0 is some characteristic length. Two cases are considered: (a) l{sub 0}{sup -2} coincides with the cosmological constant; (b) l{sub 0} is the classical radius of the electron. It is also shown that the scaled constant is of the order of 10{sup -120} for the first case and 10{sup -30} for the second case. The possible manifestation and smallness of nonassociativity is discussed. (orig.)

  9. Flexible alternatives to constant frequency systems

    Science.gov (United States)

    Stewart-Wilson, John

    The use of hybrid systems in which variable frequency is used as generated, with a proportion being converted to constant frequency by electronic conversion, is examined as a flexible alternative to constant frequency systems. Here, some practical solutions to the technical issues raised by adopting the more flexible approach to electrical system generation are presented. In particular, attention is given to the frequency ranges used, impact on aircraft equipment, motor-driven equipment, transformer rectifier units, lighting, and avionics. The discussion also covers fan-assisted galley ovens, system architecture, special airworthiness requirements, and power quality.

  10. The Cosmological Constant Problem (1/2)

    CERN Multimedia

    CERN. Geneva

    2015-01-01

    I will review the cosmological constant problem as a serious challenge to our notion of naturalness in Physics. Weinberg’s no go theorem is worked through in detail. I review a number of proposals possibly including Linde's universe multiplication, Coleman's wormholes, the fat graviton, and SLED, to name a few. Large distance modifications of gravity are also discussed, with causality considerations pointing towards a global modification as being the most sensible option. The global nature of the cosmological constant problem is also emphasized, and as a result, the sequestering scenario is reviewed in some detail, demonstrating the cancellation of the Standard Model vacuum energy through a global modification of General Relativity.

  11. The Cosmological Constant Problem (2/2)

    CERN Multimedia

    CERN. Geneva

    2015-01-01

    I will review the cosmological constant problem as a serious challenge to our notion of naturalness in Physics. Weinberg’s no go theorem is worked through in detail. I review a number of proposals possibly including Linde's universe multiplication, Coleman's wormholes, the fat graviton, and SLED, to name a few. Large distance modifications of gravity are also discussed, with causality considerations pointing towards a global modification as being the most sensible option. The global nature of the cosmological constant problem is also emphasized, and as a result, the sequestering scenario is reviewed in some detail, demonstrating the cancellation of the Standard Model vacuum energy through a global modification of General Relativity.

  12. Reconstruction of constant slow-roll inflation

    Science.gov (United States)

    Gao, Qing

    2017-09-01

    Using the relations between the slow-roll parameters and the power spectra for the single field slow-roll inflation, we derive the scalar spectral tilt n s and the tensor to scalar ratio r for the constant slow-roll inflation, and obtain the constraint on the slow-roll parameter η from the Planck 2015 results. The inflationary potential for the constant slow-roll inflation is then reconstructed in the framework of both general relativity and the scalar-tensor theory of gravity, and compared with the recently reconstructed E model potential. In the strong coupling limit, we show that the η attractor is reached.

  13. Rough-wall turbulent boundary layers with constant skin friction

    KAUST Repository

    Sridhar, A.

    2017-03-28

    A semi-empirical model is presented that describes the development of a fully developed turbulent boundary layer in the presence of surface roughness with length scale ks that varies with streamwise distance x . Interest is centred on flows for which all terms of the von Kármán integral relation, including the ratio of outer velocity to friction velocity U+∞≡U∞/uτ , are streamwise constant. For Rex assumed large, use is made of a simple log-wake model of the local turbulent mean-velocity profile that contains a standard mean-velocity correction for the asymptotic fully rough regime and with assumed constant parameter values. It is then shown that, for a general power-law external velocity variation U∞∼xm , all measures of the boundary-layer thickness must be proportional to x and that the surface sand-grain roughness scale variation must be the linear form ks(x)=αx , where x is the distance from the boundary layer of zero thickness and α is a dimensionless constant. This is shown to give a two-parameter (m,α) family of solutions, for which U+∞ (or equivalently Cf ) and boundary-layer thicknesses can be simply calculated. These correspond to perfectly self-similar boundary-layer growth in the streamwise direction with similarity variable z/(αx) , where z is the wall-normal coordinate. Results from this model over a range of α are discussed for several cases, including the zero-pressure-gradient ( m=0 ) and sink-flow ( m=−1 ) boundary layers. Trends observed in the model are supported by wall-modelled large-eddy simulation of the zero-pressure-gradient case for Rex in the range 108−1010 and for four values of α . Linear streamwise growth of the displacement, momentum and nominal boundary-layer thicknesses is confirmed, while, for each α , the mean-velocity profiles and streamwise turbulent variances are found to collapse reasonably well onto z/(αx) . For given α , calculations of U+∞ obtained from large-eddy simulations are streamwise

  14. Normal mode calculations of trigonal selenium

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; McMurry, H. L.

    1980-01-01

    . With such coordinates a potential energy, calculated with only a diagonal force matrix, is equivalent to one calculated with both off diagonal and diagonal elements when conventional coordinates are used. Another advantage is that often some force constants may be determined directly from frequencies at points of high....... In this way we have eliminated the ambiguity in the choice of valence coordinates, which has been a problem in previous models which used valence type interactions. Calculated sound velocities and elastic moduli are also given. The Journal of Chemical Physics is copyrighted by The American Institute...

  15. Digital calculations of engine cycles

    CERN Document Server

    Starkman, E S; Taylor, C Fayette

    1964-01-01

    Digital Calculations of Engine Cycles is a collection of seven papers which were presented before technical meetings of the Society of Automotive Engineers during 1962 and 1963. The papers cover the spectrum of the subject of engine cycle events, ranging from an examination of composition and properties of the working fluid to simulation of the pressure-time events in the combustion chamber. The volume has been organized to present the material in a logical sequence. The first two chapters are concerned with the equilibrium states of the working fluid. These include the concentrations of var

  16. Regional respiratory time constants during lung recruitment in high-frequency oscillatory ventilated preterm infants

    NARCIS (Netherlands)

    Miedema, Martijn; de Jongh, Frans H.; Frerichs, Inez; van Veenendaal, Mariëtte B.; van Kaam, Anton H.

    2012-01-01

    To assess the regional respiratory time constants of lung volume changes during stepwise lung recruitment before and after surfactant treatment in high-frequency oscillatory ventilated preterm infants. A stepwise oxygenation-guided recruitment procedure was performed before and after surfactant

  17. Deactivation in the rabbit left ventricle induced by constant ejection flow

    NARCIS (Netherlands)

    Wijkstra, Hessel; Boom, H.B.K.

    1989-01-01

    A study of pressure generated by the left ventricle after ejection with constant flow for different values of the ejection flow, flow duration, time of flow arrest, and ventricular volume is discussed. It was found that pressure after ejection, normalized with respect to isovolumic pressure, is

  18. Coenzyme B12 model studies: Equilibrium constants for the pH ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 114; Issue 1. Coenzyme B12 model studies: Equilibrium constants for the H-dependent axial ligation of benzyl(aquo)cobaloxime by various N- and S-donor ligands. D Sudarshan Reddy N Ravi Kumar Reddy V Sridhar S Satyanarayana. Inorganic and Analytical ...

  19. Ab initio calculation of thermodynamic functions for crystals; Calcul des fonctions thermodynamiques du zircon, de la fluorapatite et de l'iodoapatite

    Energy Technology Data Exchange (ETDEWEB)

    Fleche, J.L. [CEA Saclay, Dept. des Procedes d' Enrichissement (DCC/DPE/SPCP), 91 - Gif-sur-Yvette (France)

    2000-07-01

    The knowledge of thermodynamic functions is essential to investigate crystal stability and chemical reactivity. These functions are not always experimentally known, as for some crystalline host phases for radioactive waste. Fortunately, it is possible to calculate them. Although possible, the full ab initio calculation is not realistic because the calculation time rapidly becomes too long. These functions are obtained using an analytical model containing physical quantities determined by ab initio calculations. This enabled us to estimate the main thermodynamic functions of zircon ZrSiO{sub 4}, fluor-apatite Ca{sub 10}(PO{sub 4}){sub 6}F{sub 2} and stoichiometric iodo-apatite Pb{sub 10}(VO{sub 4}){sub 6}I{sub 2} from the variation of cohesive energy with volume and the harmonic vibration frequencies at the center of the first Brillouin zone for the unit cell corresponding to maximum cohesive energy. These ab initio quantities are calculated with the DMOL{sup 3} code that solves the electronic Schroedinger equation using the electronic density functional theory (DFT) in local density approximation, corrected (NLDA) or not (LDA) with its gradient. To limit calculation time, we made additional approximations: - acoustic and optical vibrations beyond the first Brillouin zone center are described by the Debye and Einstein models respectively; - to allow thermal expansion of the crystal we used the quasi-harmonic approximation which assumes that frequency variations are proportional to volume variations. The proportionality coefficients known as Gruneisen coefficients are derived in this study, with specific approximations; - we used the spherical cellular approximation and considered the crystal as isotropic. The thermodynamic functions calculated with this model are the following measurable quantities : enthalpy and free enthalpy, heat capacity at constant pressure, bulk modulus and thermal expansion coefficient. For zircon and fluor-apatite, for which the main

  20. Determination Method of Ramberg-Osgood Constants for Leak Before Break Evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Bae, Kyung Dong; Ryu, Ho Wan; Kim, Yun Jae [Korea University, Seoul (Korea, Republic of); Kim, Jin Weon [Chosun University, Gwangju (Korea, Republic of); Kim, Jong Sung [Sunchon National University, Suncheon (Korea, Republic of); Oh, Young Jin [KEPCO, Daejeon (Korea, Republic of)

    2015-07-15

    In this study, a method for determining Ramberg-Osgood constants for leak-before-break evaluation was investigated. The Ramberg-Osgood constants were calculated for SA312, TP316, and SA-508 Gr.1a in an operating temperature of 316 ℃. Incremental plasticity, using stress-strain data obtained from experiment, and deformation plasticity, using the Ramberg-Osgood constants, were considered in a finite element analysis. Using incremental plasticity and deformation plasticity, J-integrals and crack opening displacement values were calculated and compared. By comparing the results of incremental plasticity and deformation plasticity, a suitable method for determining Ramberg-Osgood constants for leak-before-break evaluation was confirmed.

  1. nmr spectroscopic study and dft calculations of vibrational analyses ...

    African Journals Online (AJOL)

    Preferred Customer

    ANALYSES, GIAO NMR SHIELDINGS AND 1JCH, 1JCC SPIN-SPIN COUPLING. CONSTANTS ... proton coupled and uncoupled 13C, 15N, DEPT, COSY, HETCOR, INADEQUATE NMR spectra and the magnitude ... methodology an interesting variety of spin-spin coupling constants can be calculated with good accuracy in ...

  2. Viscous-Inviscid Interaction Method for Wing Calculations

    NARCIS (Netherlands)

    Coenen, Edith G.M.; Veldman, Arthur E.P.; Patrianakos, George

    2000-01-01

    A quasi-simultaneous viscous-inviscid coupling method is developed for the calculation of three-dimensional steady incompressible flow over transport wing configurations. The external inviscid flow is computed with a constant-potential (Dirichlet) panel method, constructed from a constant source and

  3. Union-Find with Constant Time Deletions

    DEFF Research Database (Denmark)

    Alstrup, Stephen; Thorup, Mikkel; Gørtz, Inge Li

    2014-01-01

    modification of the classical union-find data structure that supports delete, as well as makeset and union operations, in constant worst-case time, while still supporting find operations in O(log n) worst-case time and O(α_M/N_(n)) amortized time. Our analysis supplies, in particular, a very concise potential...

  4. Timelike Constant Mean Curvature Surfaces with Singularities

    DEFF Research Database (Denmark)

    Brander, David; Svensson, Martin

    2014-01-01

    We use integrable systems techniques to study the singularities of timelike non-minimal constant mean curvature (CMC) surfaces in the Lorentz–Minkowski 3-space. The singularities arise at the boundary of the Birkhoff big cell of the loop group involved. We examine the behavior of the surfaces...

  5. Some zero-sum constants with weights

    Indian Academy of Sciences (India)

    imsc.res.in. MS received 28 February 2007. Abstract. For an abelian group G, the Davenport constant D(G) is defined to be the smallest natural number k such that any sequence of k elements in G has a non- empty subsequence whose sum is ...

  6. Benjamin Constant. Ontdekker van de moderne vrijheid

    NARCIS (Netherlands)

    de Hert, Paul; Kinneging, A.; Colette, M.

    2015-01-01

    In 1806 analyseerde de Zwitsers-Franse politicus, filosoof en essayist Benjamin Constant (1767-1830) de moderne samenleving in zijn bekende boek Principes de politique. Uit dit klassiek geworden werk spreekt Constant’s ambivalentie en gevoel van nuance en subtiliteit. De “moderne” individuele

  7. Experimental Determination of the Avogadro Constant

    Indian Academy of Sciences (India)

    obtained from a frame-by-frame analysis of the video over a suffi- ciently long period of time. The diffusion coefficient D is given by σ 2/(2∆t). Once again using Stokes–Einstein relation (equation 6) we can obtain the Boltzmann constant and hence the Avogadro number. Counting α Particles. Rutherford in 1903 demonstrated ...

  8. Redundant internal coordinates, compliance constants and non ...

    Indian Academy of Sciences (India)

    If chosen properly, the internal coordinates will have minimum mixing in the normal mode representation. This can in principle lead to an automation ... It was shown in the literature that the relaxed force constants could be used as a measure of bond order in all atom-atom distance coordinates. Some of the bonded and ...

  9. Redundant internal coordinates, compliance constants and non ...

    Indian Academy of Sciences (India)

    Redundant internal coordinates, compliance constants and non-bonded interactions – some new insights. MOUMITA MAJUMDER and SADASIVAM MANOGARAN. ∗. Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur 208 016, India e-mail: sm@iitk.ac.in. MS received 21 February 2012; revised 8 July ...

  10. Teaching Nanochemistry: Madelung Constants of Nanocrystals

    Science.gov (United States)

    Baker, Mark D.; Baker, A. David

    2010-01-01

    The Madelung constants for binary ionic nanoparticles are determined. The computational method described here sums the Coulombic interactions of each ion in the particle without the use of partial charges commonly used for bulk materials. The results show size-dependent lattice energies. This is a useful concept in teaching how properties such as…

  11. Optical Constants of Cometary Ice Tholins

    Science.gov (United States)

    Khare, B. N.; Cruikshank, D.; Arakawa, E. T.; McDonald, G. D.

    1997-07-01

    We have previously reported the optical constants from 0.06 to 40 mu m of ice tholin I, produced by plasma irradiation of 1:6 ethane:water frost at 77K (Khare et al. 1993, Icarus 103, 290). Such ices containing water and small amounts of simple hydrocarbons either in the form of clathrates or intimate physical mixtures are thought to be common outer solar system condensates that were incorporated into comets and other bodies. For the imaginary part of the refractive index (k)index n is not affected by these changes since the k values are small. Here we present our revised optical constants for ice tholin I, and compare with optical constants of ice tholin II, produced by plasma irradiation of ices made from a 80:16:3.2:0.8 water:methanol:carbon dioxide:ethane gas mixture (McDonald et al. 1996, Icarus 122, 107), a first order approximation to known and inferred cometary compositions. These additional data on the optical constants of ice tholin II will provide another choice for comparison with spectra of comets and other icy solar system bodies.

  12. Constant force extensional rheometry of polymer solutions

    DEFF Research Database (Denmark)

    Szabo, Peter; McKinley, Gareth H.; Clasen, Christian

    2012-01-01

    We revisit the rapid stretching of a liquid filament under the action of a constant imposed tensile force, a problem which was first considered by Matta and Tytus [J. Non-Newton. Fluid Mech. 35 (1990) 215–229]. A liquid bridge formed from a viscous Newtonian fluid or from a dilute polymer solution...

  13. dielectric constants of irradiated and carbonated polymers

    African Journals Online (AJOL)

    user

    1985-09-01

    Sep 1, 1985 ... irradiated and carbonated polymers as a function of carbon concentration are investigated. Both low and high density polymers are used. Results predict a quadratic increase in the dielectric constant of specimen as the percentage concentration of carbon is increased. This may be due to the formation of ...

  14. Calculation of heat capacities of light and heavy water by path-integral molecular dynamics.

    Science.gov (United States)

    Shiga, Motoyuki; Shinoda, Wataru

    2005-10-01

    As an application of atomistic simulation methods to heat capacities, path-integral molecular dynamics has been used to calculate the constant-volume heat capacities of light and heavy water in the gas, liquid, and solid phases. While the classical simulation based on conventional molecular dynamics has estimated the heat capacities too high, the quantum simulation based on path-integral molecular dynamics has given reasonable results based on the simple point-charge/flexible potential model. The calculated heat capacities (divided by the Boltzmann constant) in the quantum simulation are 3.1 in the vapor H2O at 300 K, 6.9 in the liquid H2O at 300 K, and 4.1 in the ice Ih H2O at 250 K, respectively, which are comparable to the experimental data of 3.04, 8.9, and 4.1, respectively. The quantum simulation also reproduces the isotope effect. The heat capacity in the liquid D2O has been calculated to be 10% higher than that of H2O, while it is 13% higher in the experiment. The results demonstrate that the path-integral simulation is a promising approach to quantitatively evaluate the heat capacities for molecular systems, taking account of quantum-mechanical vibrations as well as strongly anharmonic motions.

  15. Glyoxal and Methylglyoxal Setschenow Salting Constants in Sulfate, Nitrate, and Chloride Solutions: Measurements and Gibbs Energies.

    Science.gov (United States)

    Waxman, Eleanor M; Elm, Jonas; Kurtén, Theo; Mikkelsen, Kurt V; Ziemann, Paul J; Volkamer, Rainer

    2015-10-06

    Knowledge about Setschenow salting constants, KS, the exponential dependence of Henry's Law coefficients on salt concentration, is of particular importance to predict secondary organic aerosol (SOA) formation from soluble species in atmospheric waters with high salt concentrations, such as aerosols. We have measured KS of glyoxal and methylglyoxal for the atmospherically relevant salts (NH4)2SO4, NH4NO3, NaNO3, and NaCl and find that glyoxal consistently "salts-in" (KS of -0.16, -0.06, -0.065, -0.1 molality(-1), respectively) while methylglyoxal "salts-out" (KS of +0.16, +0.075, +0.02, +0.06 molality(-1)). We show that KS values for different salts are additive and present an equation for use in atmospheric models. Additionally, we have performed a series of quantum chemical calculations to determine the interactions between glyoxal/methylglyoxal monohydrate with Cl(-), NO3(-), SO4(2-), Na(+), and NH4(+) and find Gibbs free energies of water displacement of -10.9, -22.0, -22.9, 2.09, and 1.2 kJ/mol for glyoxal monohydrate and -3.1, -10.3, -7.91, 6.11, and 1.6 kJ/mol for methylglyoxal monohydrate with uncertainties of 8 kJ/mol. The quantum chemical calculations support that SO4(2-), NO3(-), and Cl(-) modify partitioning, while cations do not. Other factors such as ion charge or partitioning volume effects likely need to be considered to fully explain salting effects.

  16. Uraemia progression in chronic kidney disease stages 3-5 is not constant

    DEFF Research Database (Denmark)

    Heaf, James Goya; Mortensen, Leif Spange

    2011-01-01

    Chronic kidney disease (CKD) is a progressive disease leading to loss of glomerular filtration rate (ΔGFR, measured in ml/min/1.73 m(2)/year). ΔGFR is usually assumed to be constant, but the hyperfiltration theory suggests that it accelerates in severe uraemia. A retrospective analysis of estimated...... GFR (eGFR) calculated from the Modification of Diet in Renal Disease equation was performed to evaluate whether ΔGFR is constant or accelerating....

  17. B meson spectrum and decay constant from Nf=2 simulations

    CERN Document Server

    Blossier, Benoit; Della Morte, Michele; Donnellan, Michael; Fritzsch, Patrick; Garron, Nicolas; Heitger, Jochen; von Hippel, Georg; Leder, Bjorn; Simma, Hubert; Sommer, Rainer

    2010-01-01

    We report on the status of an ALPHA Collaboration project to extract quantities for B physics phenomenology from Nf=2 lattice simulations. The framework is Heavy Quark Effective Theory (HQET) expanded up to the first order of the inverse b-quark mass. The couplings of the effective theory are determined by imposing matching conditions of observables computed in HQET with their counterpart computed in QCD. That program, based on Nf=2 simulations in a small physical volume with SF boundary conditions, is now almost finished. On the other side the analysis of configurations selected from the CLS ensembles, in order to measure HQET hadronic matrix elements, has just started recently so that only results obtained at a single lattice spacing, a=0.07 fm, will be discussed. We give our first results for the b-quark mass and for the B meson decay constant.

  18. Optimal trace inequality constants for interior penalty discontinuous Galerkin discretisations of elliptic operators using arbitrary elements with non-constant Jacobians

    Science.gov (United States)

    Owens, A. R.; Kópházi, J.; Eaton, M. D.

    2017-12-01

    In this paper, a new method to numerically calculate the trace inequality constants, which arise in the calculation of penalty parameters for interior penalty discretisations of elliptic operators, is presented. These constants are provably optimal for the inequality of interest. As their calculation is based on the solution of a generalised eigenvalue problem involving the volumetric and face stiffness matrices, the method is applicable to any element type for which these matrices can be calculated, including standard finite elements and the non-uniform rational B-splines of isogeometric analysis. In particular, the presented method does not require the Jacobian of the element to be constant, and so can be applied to a much wider variety of element shapes than are currently available in the literature. Numerical results are presented for a variety of finite element and isogeometric cases. When the Jacobian is constant, it is demonstrated that the new method produces lower penalty parameters than existing methods in the literature in all cases, which translates directly into savings in the solution time of the resulting linear system. When the Jacobian is not constant, it is shown that the naive application of existing approaches can result in penalty parameters that do not guarantee coercivity of the bilinear form, and by extension, the stability of the solution. The method of manufactured solutions is applied to a model reaction-diffusion equation with a range of parameters, and it is found that using penalty parameters based on the new trace inequality constants result in better conditioned linear systems, which can be solved approximately 11% faster than those produced by the methods from the literature.

  19. Construction of Lines of Constant Density and Constant Refractive Index for Ternary Liquid Mixtures.

    Science.gov (United States)

    Tasic, Aleksandar Z.; Djordjevic, Bojan D.

    1983-01-01

    Demonstrates construction of density constant and refractive index constant lines in triangular coordinate system on basis of systematic experimental determinations of density and refractive index for both homogeneous (single-phase) ternary liquid mixtures (of known composition) and the corresponding binary compositions. Background information,…

  20. Sample variance in the local measurements of the Hubble constant

    Science.gov (United States)

    Wu, Hao-Yi; Huterer, Dragan

    2017-11-01

    The current >3σ tension between the Hubble constant H0 measured from local distance indicators and from cosmic microwave background is one of the most highly debated issues in cosmology, as it possibly indicates new physics or unknown systematics. In this work, we explore whether this tension can be alleviated by the sample variance in the local measurements, which use a small fraction of the Hubble volume. We use a large-volume cosmological N-body simulation to model the local measurements and to quantify the variance due to local density fluctuations and sample selection. We explicitly take into account the inhomogeneous spatial distribution of type Ia supernovae. Despite the faithful modelling of the observations, our results confirm previous findings that sample variance in the local Hubble constant (H_0^loc) measurements is small; we find σ (H_0^loc)=0.31 {km s^{-1}Mpc^{-1}}, a nearly negligible fraction of the ˜6 km s-1Mpc-1 necessary to explain the difference between the local and global H0 measurements. While the H0 tension could in principle be explained by our local neighbourhood being a underdense region of radius ˜150 Mpc, the extreme required underdensity of such a void (δ ≃ -0.8) makes it very unlikely in a ΛCDM universe, and it also violates existing observational constraints. Therefore, sample variance in a ΛCDM universe cannot appreciably alleviate the tension in H0 measurements even after taking into account the inhomogeneous selection of type Ia supernovae.