WorldWideScience

Sample records for calculational constants volume

  1. Calculating Skempton constant of aquifer from volume strain and water level response to seismic waves at Changping seismic station

    Institute of Scientific and Technical Information of China (English)

    YAN Rui; CHEN Yong; GAO Fu-wang; HUANG Fu-qiong

    2008-01-01

    Based on linear poroelastic theory of ideal poroelastic media, we apply the mathematic expression between pore pressure and volume strain for well-aquifer system to analyzing the observed data of water level and volume strain changes aroused by Sumatra Ms8.7 (determined by China Seismic Networks Center) seismic waves at Changping, Beijing, station on December 26, 2004 from both time and frequency domain. The response coefficients of water level fluctuation to volume strain are also calculated when seismic waves were passing through confined aquifer. A method for estimating Skempton constant B is put forward, which provide an approach for understanding of the characteristics of aquifer.

  2. Calculation of difference in heat capacities at constant pressure and constant volume with the aid of the empirical Nernst and Lindemann equation

    Science.gov (United States)

    Leontev, K. L.

    1981-07-01

    An expression is obtained for heat capacity differences of materials at a constant pressure and volume, on the basis of the rigorous thermodynamic equation (Kittel, 1976), and by using the Grueneisen law (Kikoin and Kikoin, 1976) of constancy of the ratio of the cubic expansion coefficient to the molar heat capacity. Conditions are determined, where the empirical Nernst and Lindemann (Filippov, 1967) equation is regarded as rigorous.

  3. Integrated system for production of neutronics and photonics calculational constants. Volume XVI. Tabular and graphical presentation of 175 neutron group constants derived from the LLL evaluated neutron data library (ENDL)

    International Nuclear Information System (INIS)

    As of February 3, 1975, 175 neutron group constants had been derived from the Evaluated Nuclear Data Library (ENDL) at LLL. In this volume, tables and graphs of the constants are presented along with the conventions used in their preparation. (U.S.)

  4. 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)

  5. Flow Rate Calculation in the Auto Air Leakage Volume Test System Based on Constant Pressure Method%基于恒压法的汽车整车漏风量测试系统流量计算

    Institute of Scientific and Technical Information of China (English)

    李亚; 赵鑫; 李振亮; 许玮

    2013-01-01

    An auto air leakage volume test system based on constant pressure method was designed. Using standard orifice plate as throttle device,after testing some original data such as the differential pressure between both sides of the throttle device,temperature of the dry-bulb and the wet-bulb,and so on,the auto air leakage volume can be calculated. The formulas and methods involved were demonstrated in detail and the experiment was designed based on an analysis of the measurement theory. According to the result of the experiment,this method proved stable and reliable and can satisfy the requirement of the measurement.%  设计了基于恒压法的汽车整车漏风量测试系统。采用标准孔板作为节流件,通过测量节流件上下游的压力差、干球温度和湿球温度等基础数据,经过计算可得到整车漏风量。在分析测量原理的基础上,详细给出了计算漏风量的公式和方法,并进行了实验。实验结果表明,该计算方法稳定可靠,可满足测量要求。

  6. Osmosis at constant volume. Negative pressure

    CERN Document Server

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

    2009-01-01

    A thermodynamic state of solvent and solution separated with an elastic semipermeable membrane, in the box with a fixed volume, is considered. It is shown that the minimum of the free energy is accompanied by the compression of the solution and tension of the solvent caused by the transfer of solvent molecules into compartment with solution. The tensile state of the solvent is described in terms of negative pressure. It is found that the negative pressure as well as compression pressure is of the order of osmotic pressure given by van't Hoff equation. It is proposed that this mechanism could be responsible for the water uptake in tall trees.

  7. 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

  8. Calculation of liquid-crystal Frank constants by computer simulation

    NARCIS (Netherlands)

    Allen, M.P.; Frenkel, D.

    1988-01-01

    We present the first calculations, by computer simulation, of the Frank elastic constants of a liquid crystal composed of freely rotating and translating molecules. Extensive calculations are performed for hard prolate ellipsoids at a single density, and for hard spherocylinders at three densities.

  9. 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....

  10. Calculation of hyperfine coupling constant by symmetry adapted cluster expansion configuration interaction theory. II. Anisotropic constants

    Science.gov (United States)

    Momose, Takamasa; Yamaguchi, Makoto; Shida, Tadamasa

    1990-11-01

    Following the previous work on the isotropic hyperfine coupling constants (HFCCs) of polyatomic radicals the symmetry adapted cluster expansion-configuration interaction (SAC-CI) theory is applied to calculate anisotropic HFCCs also. The results are compared with available experimental data from diatomic to polyatomic radicals such as the vinoxy. For radicals consisting of only the first row atoms Dunning's double zeta (DZ) basis set is shown to be adequate, but for those containing the second row atoms inclusion of polarization functions is required. Compared with the isotropic HFCC the calculation of the anisotropic HFCC is less formidable. However, ignorance of electron correlation causes serious disagreements with experimental data.

  11. On the structure constants of volume preserving diffeomorphism algebra

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Matsuo [Hirosaki University, Department of Natural Science, Faculty of Education, Hirosaki, Aomori (Japan)

    2014-05-15

    Regularizing a volume preserving diffeomorphism (VPD) is equivalent to a long standing problem, namely regularizing a Nambu-Poisson bracket. In this paper, as a first step toward regularizing VPD, we find general complete independent bases of VPD algebra. Especially, we find a complete independent basis that gives simple structure constants, where three area preserving diffeomorphism algebras are manifest. This implies that an algebra that regularizes a VPD algebra should include three u(N) Lie algebras. (orig.)

  12. Theoretical calculations of hyperfine coupling constants for muoniated butyl radicals.

    Science.gov (United States)

    Chen, Ya Kun; Fleming, Donald G; Wang, Yan Alexander

    2011-04-01

    The hyperfine coupling constants (HFCCs) of all the butyl radicals that can be produced by muonium (Mu) addition to butene isomers (1- and 2-butene and isobutene) have been calculated, to compare with the experimental results for the muon and proton HFFCs for these radicals reported in paper II (Fleming, D. G.; et al. J. Phys. Chem. A 2011, 10.1021/jp109676b) that follows. The equilibrium geometries and HFCCs of these muoniated butyl radicals as well as their unsubstituted isotopomers were treated at both the spin-unrestricted MP2/EPR-III and B3LYP/EPR-III levels of theory. Comparisons with calculations carried out for the EPR-II basis set have also been made. All calculations were carried out in vacuo at 0 K only. A C-Mu bond elongation scheme that lengthens the equilibrium C-H bond by a factor of 1.076, on the basis of recent quantum calculations of the muon HFCCs of the ethyl radical, has been exploited to determine the vibrationally corrected muon HFCCs. The sensitivity of the results to small variations around this scale factor was also investigated. The computational methodology employed was "benchmarked" in comparisons with the ethyl radical, both with higher level calculations and with experiment. For the β-HFCCs of interest, compared to B3LYP, the MP2 calculations agree better with higher level theories and with experiment in the case of the eclipsed C-Mu bond and are generally deemed to be more reliable in predicting the equilibrium conformations and muon HFCCs near 0 K, in the absence of environmental effects. In some cases though, the experimental results in paper II demonstrate that environmental effects enhance the muon HFCC in the solid phase, where much better agreement with the experimental muon HFCCs near 0 K is found from B3LYP than from MP2. This seemingly better level of agreement is probably fortuitous, due to error cancellations in the DFT calculations, which appear to mimic these environmental effects. For the staggered proton HFCCs of the

  13. 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.

  14. Macroscopic multigroup constants for accelerator driven system core calculation

    International Nuclear Information System (INIS)

    The high-level wastes stored in facilities above ground or shallow repositories, in close connection with its nuclear power plant, can take almost 106 years before the radiotoxicity became of the order of the background. While the disposal issue is not urgent from a technical viewpoint, it is recognized that extended storage in the facilities is not acceptable since these ones cannot provide sufficient isolation in the long term and neither is it ethical to leave the waste problem to future generations. A technique to diminish this time is to transmute these long-lived elements into short-lived elements. The approach is to use an Accelerator Driven System (ADS), a sub-critical arrangement which uses a Spallation Neutron Source (SNS), after separation the minor actinides and the long-lived fission products (LLFP), to convert them to short-lived isotopes. As an advanced reactor fuel, still today, there is a few data around these type of core systems. In this paper we generate macroscopic multigroup constants for use in calculations of a typical ADS fuel, take into consideration, the ENDF/BVI data file. Four energy groups are chosen to collapse the data from ENDF/B-VI data file by PREPRO code. A typical MOX fuel cell is used to validate the methodology. The results are used to calculate one typical subcritical ADS core. (author)

  15. First-Principles Calculation of Static Equation of State and Elastic Constants for GaSe

    Institute of Scientific and Technical Information of China (English)

    ZHANG Dong-Wen; JIN Feng-Tao; YUAN Jian-Min

    2006-01-01

    @@ The all-electron full potential augmented plane-wave plus local orbital (APW+1o) method with the local-density approximation (LDA) is used to calculate the static equation of state (EOS) and elastic constants of crystalline GaSe. After the full relaxation of atomic positions, the calculated band structure at ambient pressure is consistent with the experimental data to the extent expected to give the known limits of LDA one-electron energies. The equilibrium lattice parameters found here exhibit the usual LDA-induced contraction. However, constrained with the experimental cell volume, the interlayer separation exhibits an expansion due to the LDA underestimate of the weak interlayer bonding. The calculated values of elastic constants are in good agreement with acoustic measurements. The pressure derivatives of the lattice constants derived from the theoretical elastic constants are in very good agreement with x-ray spectra measurements. Two analytical EOSs have been determined at pressures up to 4.5 GPa. The pressure evolution of the structure indicates that the layer thickness decreasesslightly under pressure.

  16. 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.

  17. 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.

  18. DEVELOPMENT OF PROCESSING ALGORITHMS FOR OUTLIERS AND MISSING VALUES IN CONSTANT OBSERVATION DATA OF TRAFFIC VOLUMES

    Science.gov (United States)

    Hashimoto, Hiroyoshi; Kawano, Tomohiko; Momma, Toshiyuki; Uesaka, Katsumi

    Ministry of Land, Infrastructure, Transport and Tourism of Japan is going to make maximum use of vehicle detectors installed at national roads around the country and efficiently gather traffic volume data from wide areas by estimating traffic volumes within adjacent road sections based on the constant observation data obtained from the vehicle detectors. Efficient processing of outliers and missing values in constant observation data are needed in this process. Focusing on the processing of singular and missing values, the authors have developed a series of algorithms to calculate hourly traffic volumes in which a required accuracy is secured based on measurement data obtained from vehicle detectors. The algorithms have been put to practical uses. The main characteristic of these algorithms is that they use data accumulated in the past as well as data from constant observation devices in adjacent road sections. This paper describes the contents of the developed algorithms and clarifies their accuracy using actual observation data and by making comparis on with other methods.

  19. Rate Constant Calculation for Thermal Reactions Methods and Applications

    CERN Document Server

    DaCosta, Herbert

    2011-01-01

    Providing an overview of the latest computational approaches to estimate rate constants for thermal reactions, this book addresses the theories behind various first-principle and approximation methods that have emerged in the last twenty years with validation examples. It presents in-depth applications of those theories to a wide range of basic and applied research areas. When doing modeling and simulation of chemical reactions (as in many other cases), one often has to compromise between higher-accuracy/higher-precision approaches (which are usually time-consuming) and approximate/lower-preci

  20. Considerations on the calculation of volumes in two planning systems

    International Nuclear Information System (INIS)

    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.

  1. Multidimensional modeling of the decay of angular momentum and internal energy in a constant volume cylindrical vessel

    International Nuclear Information System (INIS)

    The KIVA code developed at the Los Alamos Scientific Laboratory was used to model the flow and heat transfer in a constant volume bomb. Good agreement was obtained between calculated results and experimental measurements for both the swirl velocity and temperature fields. Correlations are presented which relate the instantaneous Nusselt number and dimensionless decay rate of angular momentum with an instantaneous Reynold's number

  2. Efficiency characteristics of a new quasi-constant volume combustion spark ignition engine

    Directory of Open Access Journals (Sweden)

    Dorić Jovan Ž.

    2013-01-01

    Full Text Available A zero dimensional model has been used to investigate the combustion performance of a four cylinder petrol engine with unconventional piston motion. The main feature of this new spark ignition (SI engine concept is the realization of quasi-constant volume (QCV during combustion process. Presented mechanism is designed to obtain a specific motion law which provides better fuel consumption of internal combustion (IC engines. These advantages over standard engine are achieved through synthesis of unconventional piston mechanism. The numerical calculation was performed for several cases of different piston mechanism parameters, compression ratio and engine speed. Calculated efficiency and power diagrams are plotted and compared with performance of ordinary SI engine. The results show that combustion during quasi-constant volume has significant impact on improvement of efficiency. The main aim of this paper is to find a proper kinematics parameter of unconventional piston mechanism for most efficient heat addition in SI engines.[Acknowledgment. This research was done as a part of project TR31046 "Improvement of the quality of tractors and mobile systems with the aim of increasing competitiveness and preserving soil and environment", supported by Serbian Ministry of Science and Technological Development.

  3. Effective method for calculation of the analytic QCD coupling constant

    CERN Document Server

    Alekseev, A Yu

    2002-01-01

    The analytic running coupling of strong interaction alpha sub a sub n for initial standard perturbative approximations up to three-loop order is studied. The nonperturbative contributions to alpha sub a sub n are obtained in an explicit form. They are shown to be represented in the form of the expansion in the inverse powers of Euclidean momentum squared. It is shown that two-loop and three-loop-order corrections result in partial compensation of one-loop-order leading in the ultraviolet region nonperturbative contribution of the form 1/q sup 2. On basis of the stated expansion the effective method for calculation of the analytic running coupling is developed for all q > LAMBDA. The comparative analysis of the perturbative and nonperturbative contributions is carried out in the momentum dependence of alpha sub a sub n and its perturbative component for one - three-loop cases leads to a conclusion on higher loop stability of the analytic running coupling and its low dependence on the n sub f -threshold matchin...

  4. NUMERICAL INTEGRATION IN VOLUME CALCULATION OF IRREGULAR ANTICLINES

    OpenAIRE

    Tomislav Malvić; Rajna Rajić; Petra Slavinić; Kristina Novak Zelenika

    2014-01-01

    The volume of geological structures is often calculated by using the definite integral. Though in some cases the integral can be solved analytically, in practice we usually approximate its value by numerical integration techniques. The application of definite integral in volume calculation is illustrated by two examples. The volume of Mount Fuji, the world-known “conic” geomorphological structure, is calculated by analytical integration. Two basic numerical integration methods, that is, the t...

  5. Elastic constants and thermodynamic properties of Mg2SixSn1-x from first-principles calculations

    Institute of Scientific and Technical Information of China (English)

    Liu Na-Na; Song Ren-Bo; Du Da-Wei

    2009-01-01

    This paper stuides the elastic constants and some thermodynamic properties of Mg2SixSn1-x (x = 0, 0.25, 0.5, 0.75, 1) compounds by first-principles total energy calculations using the pseudo-potential plane-waves approach based on density functional theory, within the generalized gradient approximation for the exchange and correlation potential. The elastic constants of Mg2SixSn1-x were calculated. It shows that, at 273 K, the elastic constants of Mg2Si and Mg2Sn are well consistent with previous experimental data. The isotropy decreases with increasing Sn content. The dependences of the elastic constants, the bulk modulus, the shear modulus and the Debye temperatures of Mg2Si and Mg2Si0.5Sn0.5 on pressure were discussed. Through the quasi-harmonic Debye model, in which phononic effects were considered, the specific heat capacities of Mg2SixSn1-x at constant volume and constant pressure were calculated. The calculated specific heat capacities are well consistent with the previous experimental data.

  6. GRUCAL: a program system for the calculation of macroscopic group constants

    International Nuclear Information System (INIS)

    Nuclear reactor calculations require material- and composition-dependent, energy-averaged neutron physical data in order to decribe the interaction between neutrons and isotopes. The multigroup cross section code GRUCAL calculates these macroscopic group constants for given material compositions from the material-dependent data of the group constant library GRUBA. The instructions for calculating group constants are not fixed in the program, but are read in from an instruction file. This makes it possible to adapt GRUCAL to various problems or different group constant concepts

  7. Calculations on the hyperfine constants of the ground states for lithium-like system

    Institute of Scientific and Technical Information of China (English)

    Wu Xiao-Li; Yu Kai-Zhi; Gou Bing-Cong; Zhang Meng

    2007-01-01

    In this paper a relativistic many-body perturbation calculation is performed to calculate the hyperfine constants of the ground states for lithium-like isoelectronic sequence. Zeroth-order hyperfine constants are calculated with Dirac-Fock wavefunctions, and the finite basis sets of the Dirac-Fock equations are constructed by B splines. With the finite basis sets, the core polarization and the correlation effect are evaluated.

  8. Elastic constants of Al and TiN calculated by ab initio method

    Institute of Scientific and Technical Information of China (English)

    张铭; 申江; 何家文

    2001-01-01

    The elastic constants of Al single crystal were calculated by ab initio method for calibration. Three deformation directions were selected in order to obtain the different constants of c11, c12 and c44. The cohesion energy curves of the three deformation directions were calculated. The results of the second order partial differential at the equilibrium point of the cohesion energy curve provide the elastic constants of the Al single crystal. The changes of crystal symmetry and lattice can lead to the deviations of the calculated cohesion energy curves and the accurate elastic constants can not be obtained, but when the correction is taken into calculation, the calculated results are very close to the literature data. It is very difficult to obtain the elastic constants of thin films by experiment and the data from the handbook are scattered in a large scale. However, the elastic constants calculated by this method can be served as a standard. Though the errors of TiN elastic constants calculated by this method are a little higher than that for Al, the results are acceptable.

  9. 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…

  10. Calculation of Henry constant on the base of critical parameters of adsorbable gas

    International Nuclear Information System (INIS)

    Calculation of Henry constant using correlation between critical parameters Psub(c), Tsub(c) and adsorption energy, determined by the value of internal pressure in molecular field of adsorbent, has been made. The calculated Henry constants for Ar, Kr and Xe, adsorbed by MoS2 and zeolite NaX, are compared with the experimental ones. The state of the molecules adsorbed is evaluated

  11. Direct correlation between free volume and dielectric constant in a fluorine-containing polyimide blend

    Science.gov (United States)

    Ramani, R.; Ramachandran, R.; Amarendra, G.; Alam, S.

    2015-06-01

    The dielectric constant of fluorinated polyimides and their blends is known to decrease with increase in free volume due to decrease in the number of polarizable groups per unit volume. Interestingly, we report here a polyimide which when blended with a fluoro- polymer showed a positive deviation of dielectric constant with free volume. In our experiment, we have used a blend of poly(ether imide) and poly(vinylidene fluorine-co-hexafluoropropylene) and the interaction between them was studied using FTIR, XRD, TGA and SEM. The blend was investigated by PALS, DB and DEA. Surprisingly, with the increase in the free volume content in this blend, the dielectric constant also increases. This change is attributed to additional space available for the polarizable groups to orient themselves to the applied electric field.

  12. The mass of the {delta} resonance in a finite volume: fourth-order calculations

    Energy Technology Data Exchange (ETDEWEB)

    Hoja, Dominik; Rusetsky, Akaki [Helmholtz-Institut fuer Strahlen- und Kernphysik (Theorie), Universitaet Bonn (Germany); Bethe Center for Theoretical Physics, Universitaet Bonn (Germany); Bernard, Veronique [Universite Louis Pasteur, Laboratoire de Physique Theorique (Germany); Meissner, Ulf G. [Helmholtz-Institut fuer Strahlen- und Kernphysik (Theorie), Universitaet Bonn (Germany); Bethe Center for Theoretical Physics, Universitaet Bonn (Germany); Institut fuer Kernphysik und Juelich Center for Hadron Physics, Forschungszentrum Juelich (Germany)

    2009-07-01

    The self-energy of the {delta} resonance in a finite volume is calculated by using chiral effective field theory with explicit spin-3/2 fields. The calculations are performed up-to-and-including fourth order in the small scale expansion and yield an explicit parameterization of the energy spectrum of the interacting {pi}N pair in a finite box in terms of both the quark mass and the box size L. We show that finite-volume corrections are sizable at small quark masses. The values of certain low-energy constants are extracted from fitting to the available data in lattice QCD.

  13. A Calculation Approach to Elastic Constants of Crystallines at High Pressure and Finite Temperature

    Institute of Scientific and Technical Information of China (English)

    向士凯; 蔡灵仓; 张林; 经福谦

    2002-01-01

    Elastic constants of Na and Li metals are calculated successfully for temperatures up to 350K and pressures up to 30 GPa using a scheme without involving any adjustable parameter. Elastic constants are assumed to depend only on an effective pair potential that is only determined by the average interatomic distance. Temperature has an effect on elastic constants by way of charging the equilibrium. The elastic constants can be obtained by fitting the relationship between total energy and strain tensor using the new set of lattice parameters obtained by calculating displacement of atoms at the finite temperature and at a fixed pressure. The relationship between the effective pair potential and the interatomic distance is fitted by using a series of data of cohesive energy corresponding to lattice parameters.

  14. On the Calculation of Reactor Time Constants Using the Monte Carlo Method

    Energy Technology Data Exchange (ETDEWEB)

    Leppaenen, Jaakko [VTT Technical Research Centre of Finland, P.O. Box 1000, FI-02044 VTT (Finland)

    2008-07-01

    Full-core reactor dynamics calculation involves the coupled modelling of thermal hydraulics and the time-dependent behaviour of core neutronics. The reactor time constants include prompt neutron lifetimes, neutron reproduction times, effective delayed neutron fractions and the corresponding decay constants, typically divided into six or eight precursor groups. The calculation of these parameters is traditionally carried out using deterministic lattice transport codes, which also produce the homogenised few-group constants needed for resolving the spatial dependence of neutron flux. In recent years, there has been a growing interest in the production of simulator input parameters using the stochastic Monte Carlo method, which has several advantages over deterministic transport calculation. This paper reviews the methodology used for the calculation of reactor time constants. The calculation techniques are put to practice using two codes, the PSG continuous-energy Monte Carlo reactor physics code and MORA, a new full-core Monte Carlo neutron transport code entirely based on homogenisation. Both codes are being developed at the VTT Technical Research Centre of Finland. The results are compared to other codes and experimental reference data in the CROCUS reactor kinetics benchmark calculation. (author)

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

    Energy Technology Data Exchange (ETDEWEB)

    Buryak, Ilya; Vigasin, Andrey A., E-mail: vigasin@ifaran.ru [Obukhov Institute of Atmospheric Physics, Russian Academy of Sciences, 3 Pyzhevsky per., 119017 Moscow (Russian Federation)

    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.

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

    Science.gov (United States)

    Buryak, Ilya; Vigasin, Andrey A.

    2015-12-01

    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.

  17. Elastic Constants of Na and K from Non-parameter Perturbation Calculation

    Institute of Scientific and Technical Information of China (English)

    陈军; 经福谦; 陈栋泉; 张景琳; 段素清

    2001-01-01

    Combining a linear muffin-tin orbital method, which can be used to calculate the total energy and pressure of solids in a self-consistent manner, with a generalized elastic energy equation, a non-parameter perturbation method has been proposed to compute the elastic constant for cubic metals. The pressure dependence of the shear modulus and bulk modulus forNa and K was calculated. It was found that the computed results agree well with experiments.

  18. Accommodating volume-constant age-dependent optical (AVOCADO) model of the crystalline GRIN lens.

    Science.gov (United States)

    Sheil, Conor J; Goncharov, Alexander V

    2016-05-01

    The purpose of this manuscript is to introduce a new age-dependent model of the human lens with two GRIN power distributions (axial and radial) that allow decoupling of its refractive power and axial optical path length. The aspect ratio of the lens core can be held constant under accommodation, as well as the lens volume by varying the asphericity of the lens external surfaces. The spherical aberration calculated by exact raytracing is shown to be in line with experimental data. The proposed model is compared to previous GRIN models from the literature, and it is concluded that the features of the new model will be useful for GRIN reconstruction in future experimental studies; in particular, studies of the accommodation-dependent properties of the ageing human eye. A proposed logarithmic model of the lens core enables decoupling of three fundamental optical characteristics of the lens, namely axial optical path length, optical power and third-order spherical aberration, without changing the external shape of the lens. Conversely, the near-surface GRIN structure conforms to the external shape of the lens, which is necessary for accommodation modelling. PMID:27231637

  19. High-Order Elastic Constants and Anharmonic Properties of NaBH4: First-Principles Calculations

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xiao-Dong; JIANG Zhen-Yi; ZHOU Bo; HOU Zhu-Feng; HOU Yu-Qing

    2011-01-01

    We present theoretical studies for second- and third-order elastic constants in NaBH4 based on ab initio calculations. Our calculated second-order elastic constants agree well with available experimental results. The anharmonic properties of NaBH4,such as pressure derivative of the second-order elastic constants and the Grüneisen constants for long-wavelength acoustic modeγ(q,j),are characterized using the third-order elastic constants.

  20. Does the Addition of Inert Gases at Constant Volume and Temperature Affect Chemical Equilibrium?

    Science.gov (United States)

    Paiva, Joao C. M.; Goncalves, Jorge; Fonseca, Susana

    2008-01-01

    In this article we examine three approaches, leading to different conclusions, for answering the question "Does the addition of inert gases at constant volume and temperature modify the state of equilibrium?" In the first approach, the answer is yes as a result of a common students' alternative conception; the second approach, valid only for ideal…

  1. Atomic calculations and search for variation of the fine-structure constant in quasar absorption spectra

    Science.gov (United States)

    Dzuba, V. A.; Flambaum, V. V.

    A brief review of the search for variation of the fine structure constant in quasar absorption spectra is presented. Special consideration is given to the role of atomic calculations in the analysis of the observed data. A range of methods which allow to perform calculations for atoms or ions with different electron structure and which cover practically all periodic table of elements is discussed. Critical compilation of the results of the calculations as well as a review of the most recent results of the analysis are presented.

  2. Atomic calculations and search for variation of the fine structure constant in quasar absorption spectra

    CERN Document Server

    Dzuba, V A

    2008-01-01

    A brief review of the search for variation of the fine structure constant in quasar absorption spectra is presented. Special consideration is given to the role of atomic calculations in the analysis of the observed data. A range of methods which allow to perform calculations for atoms or ions with different electron structure and which cover practically all periodic table of elements is discussed. Critical compilation of the results of the calculations as well as a review of the most recent results of the analysis are presented.

  3. A simple van’t Hoff law for calculating Langmuir constants in clathrate hydrates

    Energy Technology Data Exchange (ETDEWEB)

    Lakhlifi, Azzedine, E-mail: azzedine.lakhlifi@obs-besancon.fr [Institut UTINAM-UMR 6213 CNRS, Université de Franche-Comté, Observatoire de Besançon, 41 bis avenue de l’Observatoire, BP 1615, 25010 Besançon Cedex (France); Dahoo, Pierre Richard [Université de Versailles-Saint-Quentin-en-Yvelines, Sorbonne Universités, Laboratoire Atmosphères Milieux Observations Spatiales, CNRS, UMR 8190, Observatoire de Versailles Saint-Quentin-en-Yvelines, 11 Bd d’Alembert, F-78820 Guyancourt (France); Picaud, Sylvain [Institut UTINAM-UMR 6213 CNRS, Université de Franche-Comté, Observatoire de Besançon, 41 bis avenue de l’Observatoire, BP 1615, 25010 Besançon Cedex (France); Mousis, Olivier [Institut UTINAM-UMR 6213 CNRS, Université de Franche-Comté, Observatoire de Besançon, 41 bis avenue de l’Observatoire, BP 1615, 25010 Besançon Cedex (France); Aix Marseille Université, CNRS, LAM (Laboratoire d’Astrophysique de Marseille) UMR 7326, 13388 Marseille (France)

    2015-02-20

    Highlights: • Tabulated Langmuir constants of simple gas hydrates for several molecules. • A van’t Hoff law in the 50–300 K temperature range is given for each case. • Practical form of van’t Hoff parameters for planetologists. • Fractional occupancies of guest species can be easily calculated. • An anisotropic guest-water atom–atom potential is used for numerical calculations. - Abstract: This work gives a van’t Hoff law expression of Langmuir constants of different species for determining their occupancy in clathrate hydrates. First, a pairwise site–site interaction potential energy model is used to calculate the Langmuir constants in an otherwise anisotropic potential environment, as a function of temperature. The results are then fitted to a van’t Hoff law expression to give a set of parameters that can be used for calculating clathrates compositions. The van’t Hoff law’s parameters are given for eighteen gas species trapped in the small and large cavities of structure types I and II. The accuracy of this approach is based on a detailed comparison with available experimental and/or previously calculated data for ethane, cyclo-propane, methane and carbon dioxide clathrate hydrates. A comparison with the analytical cell method is also carried out to better understand the importance of asymmetry and possible limitations of the van’t Hoff temperature dependence.

  4. 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.

  5. Higher-order elastic constants and megabar pressure effects of bcc tungsten: Ab initio calculations

    Science.gov (United States)

    Vekilov, Yu. Kh.; Krasilnikov, O. M.; Lugovskoy, A. V.; Lozovik, Yu. E.

    2016-09-01

    The general method for the calculation of n th (n ≥2 ) order elastic constants of the loaded crystal is given in the framework of the nonlinear elasticity theory. For the crystals of cubic symmetry under hydrostatic compression, the two schemes of calculation of the elastic constants of second, third, and fourth order from energy-finite strain relations and stress-finite strain relations are implemented. Both techniques are applied for the calculation of elastic constants of orders from second to fourth to the bcc phase of tungsten at a 0-600 GPa pressure range. The energy and stress at the various pressures and deformations are obtained ab initio in the framework of projector augmented wave+generalized gradient approximation (PAW+GGA) method, as implemented in Vienna Ab initio Simulation Package (VASP) code. Using the obtained results, we found the pressure dependence of Grüneisen parameters for long-wave acoustic modes in this interval. The Lamé constants of second and third order were estimated for polycrystalline tungsten. The proposed method is applicable for crystals with arbitrary symmetry.

  6. Efficiency characteristics of a new quasi-constant volume combustion spark ignition engine

    OpenAIRE

    Dorić Jovan Ž.; Klinar Ivan J.

    2013-01-01

    A zero dimensional model has been used to investigate the combustion performance of a four cylinder petrol engine with unconventional piston motion. The main feature of this new spark ignition (SI) engine concept is the realization of quasi-constant volume (QCV) during combustion process. Presented mechanism is designed to obtain a specific motion law which provides better fuel consumption of internal combustion (IC) engines. These advantages over standard engine are achieved through sy...

  7. 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

  8. Quantum Monte Carlo calculations of two neutrons in finite volume

    CERN Document Server

    Klos, P; Tews, I; Gandolfi, S; Gezerlis, A; Hammer, H -W; Hoferichter, M; Schwenk, A

    2016-01-01

    Ab initio calculations provide direct access to the properties of pure neutron systems that are challenging to study experimentally. In addition to their importance for fundamental physics, their properties are required as input for effective field theories of the strong interaction. In this work, we perform auxiliary-field diffusion Monte Carlo calculations of the ground and first excited state of two neutrons in a finite box, considering a simple contact potential as well as chiral effective field theory interactions. We compare the results against exact diagonalizations and present a detailed analysis of the finite-volume effects, whose understanding is crucial for determining observables from the calculated energies. Using the L\\"uscher formula, we extract the low-energy S-wave scattering parameters from ground- and excited-state energies for different box sizes.

  9. A least squares procedure for calculating the calibration constants of a portable gamma-ray spectrometer.

    Science.gov (United States)

    Ribeiro, F B; Carlos, D U; Hiodo, F Y; Strobino, E F

    2005-01-01

    In this study, a least squares procedure for calculating the calibration constants of a portable gamma-ray spectrometer using the general inverse matrix method is presented. The procedure weights the model equations fitting to the calibration data, taking into account the variances in the counting rates and in the radioactive standard concentrations. The application of the described procedure is illustrated by calibrating twice the same gamma-ray spectrometer, with two independent data sets collected approximately 18 months apart in the same calibration facility.

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

    DEFF Research Database (Denmark)

    Kirpekar, Sheela; Sauer, Stephan P. A.

    1999-01-01

    We report ab initio calculations of the indirect nuclear spin-spin coupling constants of PbH4 using a basis set which was specially optimized for correlated calculations of spin-spin coupling constants. All nonrelativistic contributions and the most important part of the spin-orbit correction wer...

  11. The event-driven constant volume method for particle coagulation dynamics

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Monte Carlo (MC) method, which tracks small numbers of the dispersed simulation parti- cles and then describes the dynamic evolution of large numbers of real particles, consti- tutes an important class of methods for the numerical solution of population balance modeling. Particle coagulation dynamics is a complex task for MC. Event-driven MC ex- hibits higher accuracy and efficiency than time-driven MC on the whole. However, these available event-driven MCs track the "equally weighted simulation particle population" and maintain the number of simulated particles within bounds at the cost of "regulating" com- putational domain, which results in some constraints and drawbacks. This study designed the procedure of "differently weighted fictitious particle population" and the corresponding coagulation rule for differently weighted fictitious particles. And then, a new event-driven MC method was promoted to describe the coagulation dynamics between differently weighted fictitious particles, where "constant number scheme" and "stepwise constant number scheme" were developed to maintain the number of fictitious particles within bounds as well as the constant computational domain. The MC is named event-driven constant volume (EDCV) method. The quantitative comparison among several popular MCs shows that the EDCV method has the advantages of computational precision and computational efficiency over other available MCs.

  12. AB INITIO CALCULATIONS OF ELASTIC CONSTANTS OF BCC V-NB SYSTEM AT HIGH PRESSURES

    Energy Technology Data Exchange (ETDEWEB)

    Landa, A; Klepeis, J; Soderlind, P; Naumov, I; Velikokhatnyi, O; Vitos, L; Ruban, A

    2005-05-02

    First-principles total energy calculation based on the exact muffin-tin orbital and full potential linear muffin-tin orbital methods were used to calculate the equation of state and shear elastic constants of bcc V, Nb, and the V{sub 95}Nb{sub 05} disordered alloy as a function of pressure up to 6 Mbar. We found a mechanical instability in C{sub 44} and a corresponding softening in C at pressures {approx} 2 Mbar for V. Both shear elastic constants show softening at pressures {approx} 0.5 Mbar for Nb. Substitution of 5 at. % of V with Nb removes the instability of V with respect to trigonal distortions in the vicinity of 2 Mbar pressure, but still leaves the softening of C{sub 44} in this pressure region. We argue that the pressure induced shear instability (softening) of V (Nb) originates from the electronic system and can be explained by a combination of the Fermi surface nesting, electronic topological transition, and band Jahn-Teller effect.

  13. Efficient Error Calculation for Multiresolution Texture-Based Volume Visualization

    Energy Technology Data Exchange (ETDEWEB)

    LaMar, E; Hamann, B; Joy, K I

    2001-10-16

    Multiresolution texture-based volume visualization is an excellent technique to enable interactive rendering of massive data sets. Interactive manipulation of a transfer function is necessary for proper exploration of a data set. However, multiresolution techniques require assessing the accuracy of the resulting images, and re-computing the error after each change in a transfer function is very expensive. They extend their existing multiresolution volume visualization method by introducing a method for accelerating error calculations for multiresolution volume approximations. Computing the error for an approximation requires adding individual error terms. One error value must be computed once for each original voxel and its corresponding approximating voxel. For byte data, i.e., data sets where integer function values between 0 and 255 are given, they observe that the set of error pairs can be quite large, yet the set of unique error pairs is small. instead of evaluating the error function for each original voxel, they construct a table of the unique combinations and the number of their occurrences. To evaluate the error, they add the products of the error function for each unique error pair and the frequency of each error pair. This approach dramatically reduces the amount of computation time involved and allows them to re-compute the error associated with a new transfer function quickly.

  14. First principles calculations of the structure and elastic constants of α, β and γ uranium

    International Nuclear Information System (INIS)

    This study analyzes structural and elastic properties of five uranium crystal structures: the face centered orthorhombic A20 (α phase), the tetragonal D8b (β phase), body centered tetragonal (bct), body centered cubic (γ phase) and face centered cubic structures. Calculations are performed within the density functional theory framework employing the Projector Augmented Wave method and the Perdew–Burke–Ernzerhof generalized gradient approximation (PBE–GGA) of the exchange correlation. The elastic constants are used to compute polycrystalline elastic moduli, Poisson’s ratio and the Debye temperature for all five structures. The α and γ phase properties are compared with theoretical and experimental results. The complex tetragonal 30 atom beta phase is examined in detail. Representation of the β phase by a bct structure is examined; we find that the structure of the β phase is significantly different from the bct phase but exhibits similar elastic properties. This is the first comprehensive investigation into the elastic constants of uranium utilizing the PBE–GGA

  15. Calculating henry adsorption constants of molecular hydrogen at 77 K on alumophosphate zeolites with different microchannel sizes

    Science.gov (United States)

    Grenev, I. V.; Gavrilov, V. Yu.

    2014-01-01

    Adsorption isotherms of molecular hydrogen are measured at 77 K in a series of AlPO alumophosphate zeolites with different microchannel sizes. The potential of the intermolecular interaction of H2 is calculated within the model of a cylindrical channel of variable size. Henry constants are calculated for this model for arbitrary orientations of the adsorbate molecules in microchannels. The experimental and calculated values of the Henry adsorption constant of H2 are compared at 77 K on AlPO zeolites. The constants of intermolecular interaction are determined for the H2-AlPO system.

  16. Fuel combustion test in constant volume combustion chamber with built-in adaptor

    Institute of Scientific and Technical Information of China (English)

    JEONG; DongSoo; CHO; GyuBack; CHOI; SuJin; LEE; JinSoo

    2010-01-01

    Combustion tests of pre-mixture of methane and air in constant volume combustion chamber(CVCC) have been carried out by means of flame propagation photo and gas pressure measurement,the effects of CVCC body temperature,intake pressure of pre-mixture of methane and air,equivalence ratio and location of the built-in adaptor have been investigated.The whole combustion chamber can be divided into two parts,i.e.the upper combustion chamber and the lower combustion chamber,by the built-in adaptor with through hole.Owing to the built-in adaptor with through hole,jet ignition or compression ignition(auto-ignition) phenomena may occur in the lower combustion chamber,which is helpful to getting higher flame propagation velocity,higher combustion peak pressure,low cycle-to-cycle variation and more stable combustion process.

  17. 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.

  18. Effect of Surface Impulsive Thermal Loads on Fatigue Behavior of Constant Volume Propulsion Engine Combustor Materials

    Science.gov (United States)

    Zhu, Dongming; Fox, Dennis S.; Miller, Robert A.; Ghosn, Louis J.; Kalluri, Sreeramesh

    2004-01-01

    The development of advanced high performance constant-volume-combustion-cycle engines (CVCCE) requires robust design of the engine components that are capable of enduring harsh combustion environments under high frequency thermal and mechanical fatigue conditions. In this study, a simulated engine test rig has been established to evaluate thermal fatigue behavior of a candidate engine combustor material, Haynes 188, under superimposed CO2 laser surface impulsive thermal loads (30 to 100 Hz) in conjunction with the mechanical fatigue loads (10 Hz). The mechanical high cycle fatigue (HCF) testing of some laser pre-exposed specimens has also been conducted under a frequency of 100 Hz to determine the laser surface damage effect. The test results have indicated that material surface oxidation and creep-enhanced fatigue is an important mechanism for the surface crack initiation and propagation under the simulated CVCCE engine conditions.

  19. Hall normalization constants for the Bures volumes of the n-state quantum systems

    Science.gov (United States)

    Slater, Paul B.

    1999-11-01

    We report the results of certain integrations of quantum-theoretic interest, relying, in this regard, upon recently developed parametrizations of Boya et al (1998 Preprint quant-ph/9810084) of the n × n density matrices, in terms of squared components of the unit (n - 1)-sphere and the n × n unitary matrices. Firstly, we express the normalized volume elements of the Bures (minimal monotone) metric for n = 2 and 3, thereby obtaining `Bures prior probability distributions' over the two- and three-state systems. Then, as a first step in extending these results to n>3, we determine that the `Hall normalization constant' (Cn) for the marginal Bures prior probablity distribution over the (n - 1)-dimensional simplex of the n eigenvalues of the n × n density matrices is, for n = 4, equal to 71 680/icons/Journals/Common/pi" ALT="pi" ALIGN="TOP"/>2. Since we also find that C3 = 35/icons/Journals/Common/pi" ALT="pi" ALIGN="TOP"/>, it follows that C4 is simply equal to 211C3/icons/Journals/Common/pi" ALT="pi" ALIGN="TOP"/>. (C2 itself is known to equal 2/icons/Journals/Common/pi" ALT="pi" ALIGN="TOP"/>.) The constant C5 is also found. It too is associated with a remarkably simple decomposition, involving the product of the eight consecutive prime numbers from 3 to 23. We also preliminarily investigate several cases n>5, with the use of quasi-Monte Carlo integration. We hope that the various analyses reported will prove useful in deriving a general formula (which evidence suggests will involve the Bernoulli numbers) for the Hall normalization constant for arbitrary n. This would have diverse applications, including quantum inference and universal quantum coding.

  20. Hall normalization constants for the Bures volumes of the n-state quantum systems

    International Nuclear Information System (INIS)

    We report the results of certain integrations of quantum-theoretic interest, relying, in this regard, upon recently developed parametrizations of Boya et al (1998 Preprint quant-ph/9810084) of the nxn density matrices, in terms of squared components of the unit (n-1)-sphere and the nxn unitary matrices. Firstly, we express the normalized volume elements of the Bures (minimal monotone) metric for n=2 and 3, thereby obtaining 'Bures prior probability distributions' over the two- and three-state systems. Then, as a first step in extending these results to n>3, we determine that the 'Hall normalization constant' (Cn) for the marginal Bures prior probability distribution over the (n-1)-dimensional simplex of the n eigenvalues of the nxn density matrices is, for n=4, equal to 71 680/π2. Since we also find that C3=35/π, it follows that C4 is simply equal to 211C3/π. (C2 itself is known to equal 2/π.) The constant C5 is also found. It too is associated with a remarkably simple decomposition, involving the product of the eight consecutive prime numbers from 3 to 23. We also preliminarily investigate several cases n>5, with the use of quasi-Monte Carlo integration. We hope that the various analyses reported will prove useful in deriving a general formula (which evidence suggests will involve the Bernoulli numbers) for the Hall normalization constant for arbitrary n. This would have diverse applications, including quantum inference and universal quantum coding. (author)

  1. Ab initio calculations of polarization, piezoelectric constants, and elastic constants of InAs and InP in the wurtzite phase

    Energy Technology Data Exchange (ETDEWEB)

    Hajlaoui, C., E-mail: hajlaouic@yahoo.fr; Pedesseau, L. [Université Européenne de Bretagne (France); Raouafi, F.; Ben Cheikh Larbi, F. [Université de Carthage, Laboratoire de Physico-Chimie, des Microstructures et des Microsystémes, Institut Préparatoire aux Études Scientifiques et Techniques (Tunisia); Even, J.; Jancu, J.-M. [Université Européenne de Bretagne (France)

    2015-08-15

    We report first-principle density functional calculations of the spontaneous polarization, piezoelectric stress constants, and elastic constants for the III–V wurtzite structure semiconductors InAs and InP. Using the density functional theory implemented in the VASP code, we obtain polarization values–0.011 and–0.013 C/m{sup 2}, and piezoelectric constants e{sub 33} (e{sub 31}) equal to 0.091 (–0.026) and 0.012 (–0.081) C/m{sup 2} for structurally relaxed InP and InAs respectively. These values are consistently smaller than those of nitrides. Therefore, we predict a smaller built-in electric field in such structures.

  2. Calculation of Elastic Constants of Ag/Pd Superlattice Thin Films by Molecular Dynamics with Many-Body Potentials

    Institute of Scientific and Technical Information of China (English)

    GAO Ning; LAI Wen-Sheng

    2006-01-01

    @@ The calculation of elastic constants of Ag/Pd superlattice thin films by molecular dynamics simulations with many-body potentials is presented. It reveals that the elastic constants C11 and C55 increase with decreasing modulation wavelength A of the films, which is consistent with experiments. However, the change of C11 and C55 with A is found to be around the values determined by a rule of mixture using bulk elastic constants of metals.No supermodulus effect is observed and it is due to cancellation between enhanced and reduced contributions to elastic constants from Ag and Pd layers subjected to compressive and tensile strains, respectively.

  3. 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.

  4. 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

    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...

  5. Thermal expansion, isothermal compression and heat capacity difference at constant pressure and constant volume in solid solutions (TiGaSe3)1-x(TiInS3)x (x=0.1; 0.2)

    International Nuclear Information System (INIS)

    The temperature dependences of thermal expansion and isothermal compression of (TiGaSe3)0.9(TiInS3)0.1 and (TiGaSe2)0.8(TiInS2)0.2 are investigated. The heat capacity difference at constant pressure and volume is calculated on the base of experimental data. It is established that interactions which are connected with the increase of defect number and weakening of chemical bond in lattice, increases with temperature increase and increase of tiInS2 content in composition

  6. Compact calculation of the perihelion precession of Mercury in general relativity, the cosmological constant and Jacobi's inversion problem

    International Nuclear Information System (INIS)

    The geodesic equations resulting from the Schwarzschild gravitational metric element are solved exactly including the contribution from the cosmological constant. The exact solution is given by genus-2 Siegelsche modular forms. For zero cosmological constant the hyperelliptic curve degenerates into an elliptic curve and the resulting geodesic is solved by the Weierstrass Jacobi modular form. The solution is applied to the precise calculation of the perihelion precession of the orbit of the planet Mercury around the Sun

  7. 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...

  8. 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.

  9. In situ X-ray diffraction observation of smectite hydration under constant volume

    International Nuclear Information System (INIS)

    Smectite (especially, montmorillonite) is the major clay mineral constituent of bentonite, which is designed to play a key role as a buffer material in geological repositories for the final disposal of radioactive waste in Japan. It is therefore crucial to understand the hydration behavior of smectite in terms of swelling during hydration and saturation processes. Against such a background, the authors simultaneously observed behaviors of smectite swelling at the micro-level (i.e., both the generation of swelling pressure and the change of hydration state). In the experiments, deionized water was allowed to permeate into a dried specimen of smectite (named Kunipia-F®) with different dry densities (ρd: 0.97, 1.23, 1.43, 1.64 and 1.88 Mg/m3) under conditions of constant temperature and volume. The swelling pressure was measured using an in situ uniaxial consolidation apparatus during the water feeding process. Changes in local hydration states (i.e., one-molecular-layer hydration states to three-molecular-layer hydration states) were also simultaneously observed. Hydration among these different states propagated from the inlet side to the outlet side of the specimen. The authors discussed the relationships governing the hydration state, swelling pressure, the number of hydration moles, dry density, equilibrium final pressure, and then the dynamic mechanism behind pressure propagation. (author)

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

    Science.gov (United States)

    Chirkov, Dmitry; Pavluchenko, Sergey A.; Toporensky, Alexey

    2015-11-01

    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 for consideration of Lovelock and other higher-order gravity models in multidimensional cosmologies.

  11. 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.

  12. Ab Initio Calculations of Elastic Constants of Li2O under Pressure

    Institute of Scientific and Technical Information of China (English)

    LI Xiao-Feng; CHEN Xiang-Rong; JI Guang-Fu; MENG Chuan-Min

    2006-01-01

    @@ We investigate the equilibrium lattice constant, bulk modulus, elastic constants and Debye temperature of Li2 O under pressure by using ab initio unrestricted Hartree-Fock (HF) linear combination of atomic orbital (LCAO) periodic approach. The obtained results at zero pressure are well consistent with the available experimental data and other theoretical results. It is found that the elastic constants C11, C12 and C44 and bulk modulus B increase monotonously as pressure increases. Also, the anisotropy will weaken and the Debye temperature will rise with pressure increasing.

  13. Ignition and combustion behaviour of vegetable oils after injection in a constant volume combustion chamber

    International Nuclear Information System (INIS)

    The ignition and combustion behaviour of vegetable oils to be used as fuel in combustion engines was researched using a constant volume combustion chamber. The chosen vegetable oils were characterised using the two structure indices average number of carbon atoms AC and average number of double bonds ADB. The structure indices were derived from the composition of the analysed fatty acids. The performance of these two structure indices in estimating differences in fuel properties, such as density, net calorific value, elementary composition and surface tension, was shown. The structure indices were also used to explain ignition and combustion behaviour. Differences in ignition and combustion behaviour were primarily recognised in the ignition delay and the first phase of combustion (premixed combustion). No differences were observed between the vegetable oils in subsequent phases of combustion. The longer the ignition delay, the higher the share was of premixed combustion. Models for the prediction of the ignition delay were developed using ADB. The ignition delay rises with increasing ADB. Differences in AC had no significant impact on the ignition delay. Hence, vegetable oils with a high ignition quality are characterised by a low amount of double bonds. The developed models can be used for estimation of the ignition quality and combustion behaviour of unknown vegetable oils. - Highlights: • Ten vegetable oils and two vegetable oil mixtures were tested. • Two suitable structure indices were developed from the fatty acid composition to predict fuel properties. • Differences were detected in the ignition behaviour and in the first combustion phase. • Vegetable oils with short ignition delay are characterised by a low number of double bonds

  14. Calculating B-meson decay constants using domain-wall light quarks and nonperturbatively tuned relativistic b-quarks

    CERN Document Server

    Witzel, Oliver

    2012-01-01

    We calculate B-physics quantities using the RBC/UKQCD 2+1 flavor domain-wall plus Iwasaki lattices and the relativistic heavy quark action developed by Christ, Li and Lin. After tuning these parameters nonperturbatively, we present our preliminary results for the calculation of the decay constants f_B and f_{B_s} analyzing data at two lattice spacings of a ~ 0.11 fm and a ~ 0.08 fm.

  15. Determination of Constant-volume Combustion Energy for the Complexes of Zinc Nitrate with Three Amino Acids

    Institute of Scientific and Technical Information of China (English)

    高胜利; 陈三平; 杨旭武; 胡荣祖; 史启祯

    2001-01-01

    Five solid complexes of zinc with L-α- methionine, L-α-pheny-lalanine and L-α- histidine were prepared. The constant-volume combustion energies of the complexes, AEc (coordination), were determined by a precise rotating bomb calorimeter at 298.15 K. They were -2969.03+0.34, -2929.46±1.59, - 9597.13 ± 6.12, - 4378.98 ± 3.27 and - 14047 ±6.75 k J/mol, respectively. Their standard enthalpies of combustion, AHθm,c(coordination, s, 298.15 K), and standard enthalpies of formation, AHθm,f(coordination, s, 298.15 K),were calculated. They were - 2959.73 ± 0.34, - 2923.88 ±1.59, - 9649.18 ± 6.12, - 4373.40 ± 3.27, - 14048.53 ±6.75 kJ/mol and - 1180.94 ± 0.92, - 1401.26 ± 1.77,- 2501.69± 6.50, - 1381.47 ± 3.49, - 1950.19 ± 7.65 kJ/mol, respectively.

  16. 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.

  17. Quantum Monte Carlo calculations of two neutrons in finite volume

    OpenAIRE

    Klos, P.; Lynn, J. E.; Tews, I.; Gandolfi, S.; Gezerlis, A.; Hammer, H. -W.; Hoferichter, M.; Schwenk, A.

    2016-01-01

    Ab initio calculations provide direct access to the properties of pure neutron systems that are challenging to study experimentally. In addition to their importance for fundamental physics, their properties are required as input for effective field theories of the strong interaction. In this work, we perform auxiliary-field diffusion Monte Carlo calculations of the ground and first excited state of two neutrons in a finite box, considering a simple contact potential as well as chiral effectiv...

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

    International Nuclear Information System (INIS)

    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

  19. 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

  20. Calculation of anisotropic few-group constants in asymptotic cells: the code ANICELL

    International Nuclear Information System (INIS)

    The theoretical background of the ANICELL computer program together with a user's manual is presented. ANICELL is a nuclear reactor neutron transport code which solves the traditional asymptotic and the so-called tilted flux transport problems in one-dimensional cylindrical geometry using linearly anisotropic scattering. The method of solution used is the first flight collision probability technique. Few-group constants including radial and axial diffusion coefficients for the cell are also prepared by the program. (author)

  1. First-Principles Calculations of Elastic Constants of Superconducting MgB2

    Institute of Scientific and Technical Information of China (English)

    GUO Hua-Zhong; CHEN Xiang-Rong; ZHU Jun; CAI Ling-Cang; GAO Jie

    2005-01-01

    @@ The five independent elastic constants of superconducting MgB2 are obtained using the first-principles plane wave method with the new relativistic analytic pseudopotential of the Hartwigsen-Goedecker-Hutter (HGH) scheme in the frame of local density approximation. The dependences of bulk modulus on temperature and pressure are also obtained. It is suggested that the HGH-type pseudopotentials are successful in investigating the ground-state mechanical properties of any solids.

  2. New method for calculation of the Vander-Walls interaction constants

    International Nuclear Information System (INIS)

    A new method is proposed for calculating dispersion coefficients. The method is based on a qualitative idea of quasiclassic system of N particles within the limit of large d-dimensions of space. Pade-approximation enables to sum up efficiently the series of 1/d-decomposition and derive expressions for Van-der-Walls coefficients. Corrections related to nuclear mass finiteness are also calculated

  3. Volume calculation of the spur gear billet for cold precision forging with average circle method

    Institute of Scientific and Technical Information of China (English)

    Wangjun Cheng; Chengzhong Chi; Yongzhen Wang; Peng Lin; Wei Liang; Chen Li

    2014-01-01

    Forging spur gears are widely used in the driving system of mining machinery and equipment due to their higher strength and dimensional accuracy. For the purpose of precisely calculating the volume of cylindrical spur gear billet in cold precision forging, a new theoretical method named average circle method was put forward. With this method, a series of gear billet volumes were calculated. Comparing with the accurate three-dimensional modeling method, the accuracy of average circle method by theoretical calculation was estimated and the maximum relative error of average circle method was less than 1.5%, which was in good agreement with the experimental results. Relative errors of the calculated and the experimental for obtaining the gear billet volumes with reference circle method are larger than those of the average circle method. It shows that average circle method possesses a higher calculation accuracy than reference circle method (traditional method), which should be worth popularizing widely in calculation of spur gear billet volume.

  4. Finite-temperature elastic constants of paramagnetic materials within the disordered local moment picture from ab initio molecular dynamics calculations

    Science.gov (United States)

    Mozafari, E.; Shulumba, N.; Steneteg, P.; Alling, B.; Abrikosov, Igor A.

    2016-08-01

    We present a theoretical scheme to calculate the elastic constants of magnetic materials in the high-temperature paramagnetic state. Our approach is based on a combination of disordered local moments picture and ab initio molecular dynamics (DLM-MD). Moreover, we investigate a possibility to enhance the efficiency of the simulations of elastic properties using the recently introduced method: symmetry imposed force constant temperature-dependent effective potential (SIFC-TDEP). We have chosen cubic paramagnetic CrN as a model system. This is done due to its technological importance and its demonstrated strong coupling between magnetic and lattice degrees of freedom. We have studied the temperature-dependent single-crystal and polycrystalline elastic constants of paramagentic CrN up to 1200 K. The obtained results at T = 300 K agree well with the experimental values of polycrystalline elastic constants as well as the Poisson ratio at room temperature. We observe that the Young's modulus is strongly dependent on temperature, decreasing by ˜14 % from T = 300 K to 1200 K. In addition we have studied the elastic anisotropy of CrN as a function of temperature and we observe that CrN becomes substantially more isotropic as the temperature increases. We demonstrate that the use of Birch law may lead to substantial errors for calculations of temperature induced changes of elastic moduli. The proposed methodology can be used for accurate predictions of mechanical properties of magnetic materials at temperatures above their magnetic order-disorder phase transition.

  5. Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework

    Indian Academy of Sciences (India)

    SUDIP SASMAL; KAUSHIK TALUKDAR; MALAYA K NAYAK; NAYANA VAVAL; SOURAV PAL

    2016-10-01

    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 calculated by the extended coupled-cluster (ECC) method reported in Phys. Rev. A 91 022512 (2015). All these results are compared with the available experimental values. The Z-vector results are found to be in better agreement with the experimental values than those of the ECC values.

  6. Complete-active-space multiconfiguration Dirac-Hartree-Fock calculations of hyperfine-structure constants of the gold atom

    International Nuclear Information System (INIS)

    The multiconfiguration Dirac-Hartree-Fock model has been employed to calculate the expectation values for the hyperfine splittings of the 5d96s22D3/2 and 5d96s22D5/2 levels of atomic gold. One-, two-, and three-body electron correlation effects involving all 79 electrons have been included in a systematic manner. The approximation employed in this study is equivalent to a complete-active-space approach. Calculated electric field gradients, together with experimental values of the electric quadrupole hyperfine-structure constants, allow us to extract a nuclear electric quadrupole moment Q(197Au)=521.5(5.0) mb.

  7. 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

    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...... was observed, even though the interfacial energies are isotropic. © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved....

  8. Volume calculations of coarse woody debris; evaluation of coarse woody debris volume calculations and consequences for coarse woody debris volume estimates in forest reserves

    NARCIS (Netherlands)

    Wijdeven, S.M.J.; Vaessen, O.H.B.; Hees, van A.F.M.; Olsthoorn, A.F.M.

    2005-01-01

    Dead wood is recognized as one of the key indicators for sustainable forest management and biodiversity. Accurate assessments of dead wood volume are thus necessary. In this study New volume models were designed based on actual volume measurements of coarse woody debris. The New generic model accura

  9. Optical constants and nonlinear calculations of fluorescein/FTO thin film optical system

    Science.gov (United States)

    Zahran, H. Y.; Iqbal, Javed; Yahia, I. S.

    2016-11-01

    The organic thin films of fluorescein dye were deposited on fluorine-doped tin oxide glass substrate by using low-cost spin coating technique. The surface of the deposited film was characterized by using AFM and X-ray diffraction spectroscopy, which shows that the film is uniform and amorphous. The spectrophotometric study was carried out at the wavelength range of 300-2500 nm. The spectral dependences of the linear refractive index and absorption index were found to decrease as the wavelength was increased. Tauc's plot study revealed that the film shows the direct transition and energy band gap values were found 1.75 eV and 3.55 eV for the thin film and the substrate, respectively. Optical constants were found nearly the same in the higher energy domain (1.0-4.5 eV). Spectroscopic method was employed to study the nonlinear optical susceptibility χ (3). The deposited thin film is a promising optical system for new generation of optoelectronics.

  10. Axial coupling constant of the nucleon for two flavors of dynamical quarks in finite and infinite volume

    International Nuclear Information System (INIS)

    We present data for the axial coupling constant gA of the nucleon obtained in lattice QCD with two degenerate flavors of dynamical nonperturbatively improved Wilson quarks. The renormalization is also performed nonperturbatively. For the analysis we give a chiral extrapolation formula for gA based on the small scale expansion scheme of chiral effective field theory for two degenerate quark flavors. Applying this formalism in a finite volume, we derive a formula that allows us to extrapolate our data simultaneously to the infinite volume and to the chiral limit. Using the additional lattice data in finite volume, we are able to determine the axial coupling of the nucleon in the chiral limit without imposing the known value at the physical point

  11. Determination by ultraviolet absorption spectrometry and theoretical calculation of dissociation constant of 1,2,3,9-tetrahydro-4H-carbazol-4-one.

    Science.gov (United States)

    Zhang, Shufang; Zhang, Xiaoyan; Tang, Ke; Zhou, Zhengyu

    2009-08-15

    The dissociation constant of 1,2,3,9-tetrahydro-4H-carbazol-4-one was determined by ultraviolet absorption spectrometry method based on the absorption spectra of 1,2,3,9-tetrahydro-4H-carbazol-4-one at different pH in ethanol-water mixed solvents. The results show that the pK(b) was a good linear function of the volume fraction of ethanol in the concentration range studied. The dissociation constant of 1, 2, 3,9-tetrahydro-4H-carbazol-4-one in water were determined by extrapolation to be 14.04 under the condition of this experiment. The accurate pK(b) calculations of 1,2,3,9-tetrahydro-4H-carbazol-4-one have been investigated using the combination of the extended clusters-continuum model with the polarizable continuum solvation model (PCM). The calculations are performed at the B3LYP/6-31G levels. The formation of molecular clusters by means of the 1,2,3,9-tetrahydro-4H-carbazol-4-one wrapped up with water molecules leads to the weakness of the interaction between the polar solvents and the 1,2,3,9-tetrahydro-4H-carbazol-4-one, hence, the accuracy of pK(b) has been enhanced. The dissociation constant of 1,2,3,9-tetrahydro-4H-carbazol-4-one in water were calculated to be 14.10 and agreed well with experimental data.

  12. Calculations of single crystal elastic constants for yttria partially stabilised zirconia from powder diffraction data

    Energy Technology Data Exchange (ETDEWEB)

    Lunt, A. J. G., E-mail: alexander.lunt@eng.ox.ac.uk; Xie, M. Y.; Baimpas, N.; Korsunsky, A. M. [Department of Engineering Science, University of Oxford, Parks Road, Oxford OX1 3PJ (United Kingdom); Zhang, S. Y.; Kabra, S.; Kelleher, J. [ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Harwell, Oxford OX11 0QX (United Kingdom); Neo, T. K. [Specialist Dental Group, Mount Elizabeth Orchard, 3 Mount Elizabeth, #08-03/08-08/08-10, Singapore 228510 (Singapore)

    2014-08-07

    Yttria Stabilised Zirconia (YSZ) is a tough, phase-transforming ceramic that finds use in a wide range of commercial applications from dental prostheses to thermal barrier coatings. Micromechanical modelling of phase transformation can deliver reliable predictions in terms of the influence of temperature and stress. However, models must rely on the accurate knowledge of single crystal elastic stiffness constants. Some techniques for elastic stiffness determination are well-established. The most popular of these involve exploiting frequency shifts and phase velocities of acoustic waves. However, the application of these techniques to YSZ can be problematic due to the micro-twinning observed in larger crystals. Here, we propose an alternative approach based on selective elastic strain sampling (e.g., by diffraction) of grain ensembles sharing certain orientation, and the prediction of the same quantities by polycrystalline modelling, for example, the Reuss or Voigt average. The inverse problem arises consisting of adjusting the single crystal stiffness matrix to match the polycrystal predictions to observations. In the present model-matching study, we sought to determine the single crystal stiffness matrix of tetragonal YSZ using the results of time-of-flight neutron diffraction obtained from an in situ compression experiment and Finite Element modelling of the deformation of polycrystalline tetragonal YSZ. The best match between the model predictions and observations was obtained for the optimized stiffness values of C11 = 451, C33 = 302, C44 = 39, C66 = 82, C12 = 240, and C13 = 50 (units: GPa). Considering the significant amount of scatter in the published literature data, our result appears reasonably consistent.

  13. Calculations of single crystal elastic constants for yttria partially stabilised zirconia from powder diffraction data

    Science.gov (United States)

    Lunt, A. J. G.; Xie, M. Y.; Baimpas, N.; Zhang, S. Y.; Kabra, S.; Kelleher, J.; Neo, T. K.; Korsunsky, A. M.

    2014-08-01

    Yttria Stabilised Zirconia (YSZ) is a tough, phase-transforming ceramic that finds use in a wide range of commercial applications from dental prostheses to thermal barrier coatings. Micromechanical modelling of phase transformation can deliver reliable predictions in terms of the influence of temperature and stress. However, models must rely on the accurate knowledge of single crystal elastic stiffness constants. Some techniques for elastic stiffness determination are well-established. The most popular of these involve exploiting frequency shifts and phase velocities of acoustic waves. However, the application of these techniques to YSZ can be problematic due to the micro-twinning observed in larger crystals. Here, we propose an alternative approach based on selective elastic strain sampling (e.g., by diffraction) of grain ensembles sharing certain orientation, and the prediction of the same quantities by polycrystalline modelling, for example, the Reuss or Voigt average. The inverse problem arises consisting of adjusting the single crystal stiffness matrix to match the polycrystal predictions to observations. In the present model-matching study, we sought to determine the single crystal stiffness matrix of tetragonal YSZ using the results of time-of-flight neutron diffraction obtained from an in situ compression experiment and Finite Element modelling of the deformation of polycrystalline tetragonal YSZ. The best match between the model predictions and observations was obtained for the optimized stiffness values of C11 = 451, C33 = 302, C44 = 39, C66 = 82, C12 = 240, and C13 = 50 (units: GPa). Considering the significant amount of scatter in the published literature data, our result appears reasonably consistent.

  14. Calculations of single crystal elastic constants for yttria partially stabilised zirconia from powder diffraction data

    International Nuclear Information System (INIS)

    Yttria Stabilised Zirconia (YSZ) is a tough, phase-transforming ceramic that finds use in a wide range of commercial applications from dental prostheses to thermal barrier coatings. Micromechanical modelling of phase transformation can deliver reliable predictions in terms of the influence of temperature and stress. However, models must rely on the accurate knowledge of single crystal elastic stiffness constants. Some techniques for elastic stiffness determination are well-established. The most popular of these involve exploiting frequency shifts and phase velocities of acoustic waves. However, the application of these techniques to YSZ can be problematic due to the micro-twinning observed in larger crystals. Here, we propose an alternative approach based on selective elastic strain sampling (e.g., by diffraction) of grain ensembles sharing certain orientation, and the prediction of the same quantities by polycrystalline modelling, for example, the Reuss or Voigt average. The inverse problem arises consisting of adjusting the single crystal stiffness matrix to match the polycrystal predictions to observations. In the present model-matching study, we sought to determine the single crystal stiffness matrix of tetragonal YSZ using the results of time-of-flight neutron diffraction obtained from an in situ compression experiment and Finite Element modelling of the deformation of polycrystalline tetragonal YSZ. The best match between the model predictions and observations was obtained for the optimized stiffness values of C11 = 451, C33 = 302, C44 = 39, C66 = 82, C12 = 240, and C13 = 50 (units: GPa). Considering the significant amount of scatter in the published literature data, our result appears reasonably consistent

  15. 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.

  16. Velocity field of streams in nonuniform constant magnetic fields. Part 1: numerical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Gel' fgat, Yu.M.; Peterson, D.Ye.; Shcherbinin, E.V.

    1978-01-01

    Steady flow of a conducting fluid through a rectangular pipe in nonuniform magnetic fields of various configurations is analyzed and the results are found to depend on whether the magnetic field is assumed to have only a transverse or also a longitudinal component. Velocity and potential profiles are calculated numerically for each case, according to grids with various step sizes, also for an asymmetrically nonuniform and for a periodically nonuniform magnetic field. The feasibility of establishing practically any desired flow pattern by tailoring the magnetic field has thus been established, but the success of this procedure depends largely on the choice of the computation scheme and on the accuracy of computations, as well as on the assumptions made concerning the distribution of the magnetic field. 9 references, 6 figures.

  17. Diameter structure modeling and the calculation of plantation volume of black poplar clones

    Directory of Open Access Journals (Sweden)

    Andrašev Siniša

    2004-01-01

    Full Text Available A method of diameter structure modeling was applied in the calculation of plantation (stand volume of two black poplar clones in the section Aigeiros (Duby: 618 (Lux and S1-8. Diameter structure modeling by Weibull function makes it possible to calculate the plantation volume by volume line. Based on the comparison of the proposed method with the existing methods, the obtained error of plantation volume was less than 2%. Diameter structure modeling and the calculation of plantation volume by diameter structure model, by the regularity of diameter distribution, enables a better analysis of the production level and assortment structure and it can be used in the construction of yield and increment tables.

  18. 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.

  19. Accurate AB Initio Calculation of Anharmonic Force Fields and Spectroscopic Constants of Small Polyatomic Molecules

    Science.gov (United States)

    Martin, Jan M. L.

    The quartic force fields of a number of small polyatomic molecules (specifically, rm H _2O, NH_2, NH_3, CH_4, BH_3, BeH_2, H_2CO, N_2O, CO_2, CS_2, OCS, H_2S, FNO, ClNO, and H_2CS) have been computed ab initio using large basis sets and augmented coupled cluster methods. It has been established throughout that harmonic and fundamental frequencies can consistently be reproduced to within about 10 cm^{ -1} of experimental using spdf basis sets, except in such inherently problematic cases as the umbrella motion in NH_3; such problems are solved by recomputing the harmonic frequencies with an spdf g basis set. Coupled cluster frequencies using small basis sets of spd quality agree surprisingly well with experiment (mean absolute error of 26 cm^ {-1}), but bond distances are generally seriously overestimated. Using spdf basis sets, they are consistently overestimated by 0.002 and 0.006-7 A for single and multiple bonds, respectively; for spdf g basis sets this drops to 0.001 and 0.003-4 A, respectively. Geometries and harmonic frequencies for highly polar fluorine compounds such as HF and FNO are qualitatively wrong unless special anion functions are added to the fluorine basis set. Anharmonicity, rovibrational coupling, and centrifugal distortion constants are consistently predicted well; the anharmonic portions of the computed force fields are probably more reliable than their experimental counterparts in many cases. Remaining errors in the computed geometries and harmonic frequencies are shown to be almost entirely due to a combination of core correlation and residual deficiencies in the electron correlation treatment. A 3-term correction for remaining basis set incompleteness to computed total atomization energies is proposed by the author, and is shown to result in mean absolute errors of as little as 0.5 kcal/mol for spdf g basis sets. Example applications on rm HCO^+, HOC^+, B_2C, BCN, and BNC testify to the predictive power of the methods used in this work.

  20. 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.

  1. 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.

  2. 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 a

  3. 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

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

    International Nuclear Information System (INIS)

    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 (Kd) 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 Kd 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

  5. Acidity constants and its dependence on solvent selection from first-principles calculations using cluster-continuum models

    Science.gov (United States)

    Pham, Hieu H.; Taylor, Christopher D.; Henson, Neil J.

    2014-08-01

    Dissociation constants of selected carboxylic acids in aqueous and organic solvents were calculated at quantum chemical level. We considered cases in which trace quantities of water may be present, as well as cases in which water was entirely absent. In the latter cases, alternative proton acceptors need to be considered. For aqueous solvent, short-range solvation effects are considered by adding explicit water molecules as the first solvent shell. In the absence of water, corresponding organic solvents are used directly as the proton acceptors and the resulted pKa are quite comparable to those obtained from previous case of aqueous solvent.

  6. Calculations of hyperfine coupling constant of copper(II) in aqueous environment. Finite temperature molecular dynamics and relativistic effects.

    Science.gov (United States)

    Malček, Michal; Bučinský, Lukáš; Valko, Marián; Biskupič, Stanislav

    2015-09-01

    The presented paper is focused on the calculation of hyperfine coupling constants (HFCC) of Cu (2+) ion in water environment. To simulate the conditions of the electron paramagnetic resonance (EPR) experiment in aqueous phase, molecular dynamics using the density functional theory (DFT) was employed. In total three different functionals (BLYP, B3LYP, M06) were employed for studying their suitability in describing coordination of Cu (2+) by water molecules. The system of our interest was composed of one Cu (2+) cation surrounded by a selected number (between thirty and fifty) of water molecules. Besides the non-relativistic HFCCs (Fermi contact terms) of Cu (2+) also the four-component relativistic HFCC calculations are presented. The importance of the proper evaluation of HFCCs, the inclusion of spin-orbit term, for Cu (2+) containing systems (Neese, J. Chem. Phys. 118, 3939 2003; Almeida et al., Chem. Phys. 332, 176 2007) is confirmed at the relativistic four-component level of theory.

  7. High-accuracy Complete Active Space multiconfiguration Dirac-Hartree-Fock calculations of hyperfine structure constants of the gold atom

    CERN Document Server

    Bierón, Jacek; Indelicato, Paul; Jönsson, Per; Pyykkö, Pekka

    2009-01-01

    The multiconfiguration Dirac-Hartree-Fock (MCDHF) model has been employed to calculate the expectation values for the hyperfine splittings of the 5d96s2 2D3/2 and 5d96s2 2D5/2 levels of atomic gold. One-, two-, and three-body electron correlation effects involving all 79 electrons have been included in a systematic manner. The approximation employed in this study is equivalent to a Complete Active Space (CAS) approach. Calculated electric field gradients, together with experimental values of the electric quadrupole hyperfine structure constants, allow us to extract a nuclear electric quadrupole moment Q(197Au)=521.5(5.0) mb.

  8. 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.

  9. Relativistic many-body calculation of energies, lifetimes, polarizabilities, blackbody radiative shift, and hyperfine constants in Lu2 +

    Science.gov (United States)

    Safronova, U. I.; Safronova, M. S.; Johnson, W. R.

    2016-09-01

    Energy levels of 30 low-lying states of Lu2 + and allowed electric-dipole matrix elements between these states are evaluated using a relativistic all-order method in which all single, double, and partial triple excitations of Dirac-Fock wave functions are included to all orders of perturbation theory. Matrix elements are critically evaluated for their accuracy and recommended values of the matrix elements are given together with uncertainty estimates. Line strengths, transition rates, and lifetimes of the metastable 5 d3 /2 and 5 d5 /2 states are calculated. Recommended values are given for static polarizabilities of the 6 s , 5 d , and 6 p states and tensor polarizabilities of the 5 d and 6 p3 /2 states. Uncertainties of the polarizability values are estimated in all cases. The blackbody radiation shift of the 6 s1 /2-5 d5 /2 transition frequency of the Lu2 + ion is calculated with the aid of the recommended scalar polarizabilities of the 6 s1 /2 and 5 d5 /2 states. Finally, A and B hyperfine constants are determined for states of 2+175Lu with n ≤9 . This work provides recommended values of transition matrix elements, polarizabilities, and hyperfine constants of Lu2 +, critically evaluated for accuracy, for benchmark tests of high-precision theoretical methodology and planning of future experiments.

  10. A simple and efficient GIS tool for volume calculations of submarine landslides

    Science.gov (United States)

    Völker, David Julius

    2010-10-01

    A numeric tool is presented for calculating volumes of topographic voids such as slump scars of landslides, canyons or craters (negative/concave morphology), or alternatively, bumps and hills (positive/convex morphology) by means of digital elevation models embedded within a geographical information system (GIS). In this study, it has been used to calculate landslide volumes. The basic idea is that a (singular) event (landslide, meteorite impact, volcanic eruption) has disturbed an intact surface such that it is still possible to distinguish between the former (undisturbed) landscape and the disturbance (crater, slide scar, debris avalanche). In such cases, it is possible to reconstruct the paleo-surface and to calculate the volume difference between both surfaces, thereby approximating the volume gain or loss caused by the event. I tested the approach using synthetically generated land surfaces that were created on the basis of Shuttle Radar Topography Mission data. Also, I show the application to two real cases, (1) the calculation of the volume of the Masaya Slide, a submarine landslide on the Pacific continental slope of Nicaragua, and (2) the calculation of the void of a segment of the Fish River Canyon, Namibia. The tool is provided as a script file for the free GIS GRASS. It performs with little effort, and offers a range of interpolation parameters. Testing with different sets of interpolation parameters results in a small range of uncertainty. This tool should prove useful in surface studies not exclusively on earth.

  11. Accurate rotational constant and bond lengths of hexafluorobenzene by femtosecond rotational Raman coherence spectroscopy and ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Den, Takuya S.; Frey, Hans-Martin; Leutwyler, Samuel, E-mail: leutwyler@dcb.unibe.ch [Departement für Chemie und Biochemie, Universität Bern, Freiestrasse 3, CH-3000 Bern 9 (Switzerland)

    2014-11-21

    The gas-phase rotational motion of hexafluorobenzene has been measured in real time using femtosecond (fs) time-resolved rotational Raman coherence spectroscopy (RR-RCS) at T = 100 and 295 K. This four-wave mixing method allows to probe the rotation of non-polar gas-phase molecules with fs time resolution over times up to ∼5 ns. The ground state rotational constant of hexafluorobenzene is determined as B{sub 0} = 1029.740(28) MHz (2σ uncertainty) from RR-RCS transients measured in a pulsed seeded supersonic jet, where essentially only the v = 0 state is populated. Using this B{sub 0} value, RR-RCS measurements in a room temperature gas cell give the rotational constants B{sub v} of the five lowest-lying thermally populated vibrationally excited states ν{sub 7/8}, ν{sub 9}, ν{sub 11/12}, ν{sub 13}, and ν{sub 14/15}. Their B{sub v} constants differ from B{sub 0} by between −1.02 MHz and +2.23 MHz. Combining the B{sub 0} with the results of all-electron coupled-cluster CCSD(T) calculations of Demaison et al. [Mol. Phys. 111, 1539 (2013)] and of our own allow to determine the C-C and C-F semi-experimental equilibrium bond lengths r{sub e}(C-C) = 1.3866(3) Å and r{sub e}(C-F) = 1.3244(4) Å. These agree with the CCSD(T)/wCVQZ r{sub e} bond lengths calculated by Demaison et al. within ±0.0005 Å. We also calculate the semi-experimental thermally averaged bond lengths r{sub g}(C-C)=1.3907(3) Å and r{sub g}(C-F)=1.3250(4) Å. These are at least ten times more accurate than two sets of experimental gas-phase electron diffraction r{sub g} bond lengths measured in the 1960s.

  12. 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.

  13. Calculation of Bond-length, Bond-energy and Force Constant of Hydrogen Molecule by Classical Mechanics

    Institute of Scientific and Technical Information of China (English)

    ChenJing

    2004-01-01

    Until recently the hydrogen molecule structural parameters are calculated with the methods of quantum mechanics. To achieve results close to experimental values, the wave function used is complicated and has no clear physical meaning. Because the distribution of the electron probability density is a statistical rule, the macro-time has actually been used in the concept on a electron cloud graph. Here are obtained three formulas with a classical mechanics method on the bond-length re , bond-energy De and force constant k of the ground state hydrogen molecule, which have a clear physical meaning but no artificial parameters, and compared with experimental values, the relative errors are respectively less than 1% , 2% and 4% .

  14. On the calculation of quantum mechanical ground states from classical geodesic motion on certain spaces of constant negative curvature

    International Nuclear Information System (INIS)

    We consider geodesic motion on three-dimensional Riemannian manifolds of constant negative curvature, topologically equivalent to S x ]0,1[, S a compact surface of genus two. To those trajectories which are recurrent in both directions of the time evolution t → +∞, t → -∞ a fractal limit set is associated whose Hausdorff dimension is intimately connected with the quantum mechanical energy ground state, determined by the Schroedinger operator on the manifold. We give a rather detailed and pictorial description of the hyperbolic spaces we have in mind, discuss various aspects of classical and quantum mechanical motion on them as far as they are needed to establish the connection between energy ground state and Hausdorff dimension and give finally some examples of ground state calculations in terms of Hausdorff dimensions of limit sets of classical trajectories. (orig.)

  15. Calculated Third Order Rate Constants for Interpreting the Mechanisms of Hydrolyses of Chloroformates, Carboxylic Acid Halides, Sulfonyl Chlorides and Phosphorochloridates

    Directory of Open Access Journals (Sweden)

    T. William Bentley

    2015-05-01

    Full Text Available Hydrolyses of acid derivatives (e.g., carboxylic acid chlorides and fluorides, fluoro- and chloroformates, sulfonyl chlorides, phosphorochloridates, anhydrides exhibit pseudo-first order kinetics. Reaction mechanisms vary from those involving a cationic intermediate (SN1 to concerted SN2 processes, and further to third order reactions, in which one solvent molecule acts as the attacking nucleophile and a second molecule acts as a general base catalyst. A unified framework is discussed, in which there are two reaction channels—an SN1-SN2 spectrum and an SN2-SN3 spectrum. Third order rate constants (k3 are calculated for solvolytic reactions in a wide range of compositions of acetone-water mixtures, and are shown to be either approximately constant or correlated with the Grunwald-Winstein Y parameter. These data and kinetic solvent isotope effects, provide the experimental evidence for the SN2-SN3 spectrum (e.g., for chloro- and fluoroformates, chloroacetyl chloride, p-nitrobenzoyl p-toluenesulfonate, sulfonyl chlorides. Deviations from linearity lead to U- or V-shaped plots, which assist in the identification of the point at which the reaction channel changes from SN2-SN3 to SN1-SN2 (e.g., for benzoyl chloride.

  16. 3D CT modeling of hepatic vessel architecture and volume calculation in living donated liver transplantation

    International Nuclear Information System (INIS)

    The aim of this study was to evaluate a software tool for non-invasive preoperative volumetric assessment of potential donors in living donated liver transplantation (LDLT). Biphasic helical CT was performed in 56 potential donors. Data sets were post-processed using a non-commercial software tool for segmentation, volumetric analysis and visualisation of liver segments. Semi-automatic definition of liver margins allowed the segmentation of parenchyma. Hepatic vessels were delineated using a region-growing algorithm with automatically determined thresholds. Volumes and shapes of liver segments were calculated automatically based on individual portal-venous branches. Results were visualised three-dimensionally and statistically compared with conventional volumetry and the intraoperative findings in 27 transplanted cases. Image processing was easy to perform within 23 min. Of the 56 potential donors, 27 were excluded from LDLT because of inappropriate liver parenchyma or vascular architecture. Two recipients were not transplanted due to poor clinical conditions. In the 27 transplanted cases, preoperatively visualised vessels were confirmed, and only one undetected accessory hepatic vein was revealed. Calculated graft volumes were 1110±180 ml for right lobes, 820 ml for the left lobe and 270±30 ml for segments II+III. The calculated volumes and intraoperatively measured graft volumes correlated significantly. No significant differences between the presented automatic volumetry and the conventional volumetry were observed. A novel image processing technique was evaluated which allows a semi-automatic volume calculation and 3D visualisation of the different liver segments. (orig.)

  17. 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.

  18. 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...

  19. The mass of the Delta resonance in a finite volume fourth-order calculation

    CERN Document Server

    Bernard, V; Meißner, U -G; Rusetsky, A

    2009-01-01

    We calculate the self-energy of the Delta (1232) resonance in a finite volume, using chiral effective field theory with explicit spin-3/2 fields. The calculations are performed up-to-and-including fourth order in the small scale expansion and yield an explicit parameterization of the energy spectrum of the interacting pion-nucleon pair in a finite box in terms of both the quark mass and the box size L. It is shown that finite-volume corrections can be sizeable at small quark masses.

  20. Evaluation of methods for calculating volume fraction in Eulerian-Lagrangian multiphase flow simulations

    Science.gov (United States)

    Diggs, Angela; Balachandar, S.

    2016-05-01

    The present work addresses numerical methods required to compute particle volume fraction or number density. Local volume fraction of the lth particle, αl, is the quantity of foremost importance in calculating the gas-mediated particle-particle interaction effect in multiphase flows. A general multiphase flow with a distribution of Lagrangian particles inside a fluid flow discretized on an Eulerian grid is considered. Particle volume fraction is needed both as a Lagrangian quantity associated with each particle and also as an Eulerian quantity associated with the grid cell for Eulerian-Lagrangian simulations. In Grid-Based (GB) methods the particle volume fraction is first obtained within each grid cell as an Eulerian quantity and then the local particle volume fraction associated with any Lagrangian particle can be obtained from interpolation. The second class of methods presented are Particle-Based (PB) methods, where particle volume fraction will first be obtained at each particle as a Lagrangian quantity, which then can be projected onto the Eulerian grid. Traditionally, the GB methods are used in multiphase flow, but sub-grid resolution can be obtained through use of the PB methods. By evaluating the total error, and its discretization, bias and statistical error components, the performance of the different PB methods is compared against several common GB methods of calculating volume fraction. The standard von Neumann error analysis technique has been adapted for evaluation of rate of convergence of the different methods. The discussion and error analysis presented focus on the volume fraction calculation, but the methods can be extended to obtain field representations of other Lagrangian quantities, such as particle velocity and temperature.

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

    OpenAIRE

    Slavinić Petra; Cvetković Marko

    2016-01-01

    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 obt...

  2. Relativistic many-body calculation of energies, lifetimes, polarizabilities, blackbody radiative shift and hyperfine constants in Lu2+

    CERN Document Server

    Safronova, U I; Johnson, W R

    2016-01-01

    Energy levels of 30 low-lying states of Lu2+ and allowed electric-dipole matrix elements between these states are evaluated using a relativistic all-order method in which all single, double and partial triple excitations of Dirac-Fock wave functions are included to all orders of perturbation theory. Matrix elements are critically evaluated for their accuracy and recommended values of the matrix elements are given together with uncertainty estimates. Line strengths, transition rates and lifetimes of the metastable 5d(3/2) and 5d(5/2) states are calculated. Recommended values are given for static polarizabilities of the 6s, 5d and 6p states and tensor polarizabilities of the 5d and 6p(3/2) states. Uncertainties of the polarizability values are estimated in all cases. The blackbody radiation shift of the 6s(1/2)-5d(5/2) transition frequency of the Lu2+ ion is calculated with the aid of the recommended scalar polarizabilities of the 6s(1/2) and 5d(5/2) states. Finally, A and B hyperfine constants are determined f...

  3. 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...

  4. Relativistic many-body calculations of energy levels, hyperfine constants, electric-dipole matrix elements and static polarizabilities for alkali-metal atoms

    CERN Document Server

    Safronova, M S; Derevianko, S A

    1999-01-01

    Removal energies and hyperfine constants of the lowest four $ns, np_{1/2}$ and $np_{3/2}$ states in Na, K, Rb and Cs are calculated; removal energies of the n=7--10 states and hyperfine constants of the n=7 and 8 states in Fr are also calculated. The calculations are based on the relativistic single-double (SD) approximation in which single and double excitations of Dirac-Hartree-Fock (DHF) wave functions are included to all-orders in perturbation theory. Using SD wave functions, accurate values of removal energies, electric-dipole matrix elements and static polarizabilities are obtained, however, SD wave functions give poor values of magnetic-dipole hyperfine constants for heavy atoms. To obtain accurate values of hyperfine constants for heavy atoms, we include triple excitations partially in the wave functions. The present calculations provide the basis for reevaluating PNC amplitudes in Cs and Fr.

  5. Magnetic coupling constants of self-assembled Cu(II) [3×3] grids: alternative spin model from theoretical calculations.

    Science.gov (United States)

    Calzado, Carmen J; Ben Amor, Nadia; Maynau, Daniel

    2014-07-14

    This paper reports a theoretical analysis of the electronic structure and magnetic properties of a ferromagnetic Cu(II) [3×3] grid. A two-step strategy, combining calculations on the whole grid and on binuclear fragments, has been employed to evaluate all the magnetic interactions in the grid. The calculations confirm an S = 7/2 ground state, which is in accordance with the magnetisation versus field curve and the thermal dependence of the magnetic moment data. Only the first-neighbour coupling terms present non-negligible amplitudes, all of them in agreement with the structure and arrangement of the Cu 3d magnetic orbitals. The results indicate that the dominant interaction in the system is the antiferromagnetic coupling between the ring and the central Cu sites (J3 = J4 ≈ -31 cm(-1)). In the ring two different interactions can be distinguished, J1 = 4.6 cm(-1) and J2 = -0.1 cm(-1), in contrast to the single J model employed in the magnetic data fit. The calculated J values have been used to determine the energy level distribution of the Heisenberg magnetic states. The effective magnetic moment versus temperature plot resulting from this ab initio energy profile is in good agreement with the experimental curve and the fitting obtained with the simplified spin model, despite the differences between these two spin models. This study underlines the role that the theoretical evaluations of the coupling constants can play on the rationalisation of the magnetic properties of these complex polynuclear systems.

  6. 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.

  7. 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.

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

    International Nuclear Information System (INIS)

    This study evaluated the dynamic behavior of total and compartmental chest wall volumes [(VCW) = rib cage (VRC) + abdomen (VAB)] 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) VCW increased in relation to resting values. There was a noticeable heterogeneity in the patterns of VCW regulation as EEVCW increased non-linearly in 17/30 “hyperinflators” and decreased in 13/30 “non-hyperinflators” (P < 0.05). EEVAB decreased slightly in 8 of the “hyperinflators”, thereby reducing and slowing the rate of increase in end-inspiratory (EI) VCW (P < 0.05). In contrast, decreases in EEVCW in the “non-hyperinflators” were due to the combination of stable EEVRC with marked reductions in EEVAB. These patients showed lower EIVCW 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 EIVCW 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

  9. 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.

  10. First principles calculations of lattice parameter and elastic constants of BCC γ(U,Mo) disordered phase

    International Nuclear Information System (INIS)

    Irradiation tests have shown that U-Mo dispersion fuel suffers from interaction between the fuel and the aluminum matrix at higher temperature. A potential solution to mitigate these phenomena is to use a fuel alloy foil in place of the fuel-aluminum dispersion. This monolithic fuel provides a lower fuel-matrix interfacial surface area and a much higher uranium density than dispersion type fuel. Internal stresses will arise, during fabrication and operating conditions, in the interface between fuel and cladding materials due to the difference in the thermal expansion coefficients and elastic constants. Our aim is to ascertain these properties for the gamma phase in the U-Mo alloy from the knowledge of its internal energy as a function of deformation. Internal energy of the disordered phase is obtained as a cluster expansion from AB initio calculated interaction parameters in each of three deportation modes: Hydrostatic, tetragonal and trigonal. Preliminary results are presented that have served as a proof of method suitability. (author)

  11. The permanent electric dipole moment of K, Rb or Cs atom can not be calculated by using the Boltzmann constant

    CERN Document Server

    You, Pei-Lin

    2008-01-01

    Using special capacitors our experiments discovered that the electric susceptibility Xe of K, Rb or Cs vapor varies in direct proportion to their density N, and inversely proportional to the absolute temperature T as polar molecules. Their capacitance(C) at different voltage (V) was measured. The C-V curve shows that the saturation polarization of K, Rb or Cs vapor has be observed when the field E more than ten to fiveth power V/m. The measurements show that the ground state K, Rb or Cs atom is polar atom with a large permanent electric dipole moment (EDM) of the order of eao (ao is Bohr radius) as excited state of hydrogen atom. But we can not calculate the EDM of an atom using Boltzmann constant. Because of the mechanism of polar atoms by which orientation polarization arises completely differs from polar molecules. The orientation polarization of polar molecule, such as HCl or H2O etc, is a molecule as a whole turned toward the direction of an external field. Unlike polar molecules, the orientation polariz...

  12. 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...

  13. Interactions between molecules in screening constants calculations by CHF-GIAO method; Oddzialywania miedzymolekularne w obliczeniach stalych ekranowania wykonywanych metoda CHF-GIAO

    Energy Technology Data Exchange (ETDEWEB)

    Jackowski, K. [Faculty of Chemistry, Warsaw Univ. (Poland)

    1994-12-31

    Solid ammonia and methyl cyanide has been used as model substances for study of intermolecular effects in screening constants calculation. The NMR gas-to-liquid shift effects have been measured and correlated with theoretical calculations. 26 refs, 1 fig., 2 tabs.

  14. The enhanced volume source boundary point method for the calculation of acoustic radiation problem

    Institute of Scientific and Technical Information of China (English)

    WANG Xiufeng; CHEN Xinzhao; WANG Youcheng

    2003-01-01

    The Volume Source Boundary Point Method (VSBPM) is greatly improved so that it will speed up the VSBPM's solution of the acoustic radiation problem caused by the vibrating body. The fundamental solution provided by Helmholtz equation is enforced in a weighted residual sense over a tetrahedron located on the normal line of the boundary node to replace the coefficient matrices of the system equation. Through the enhanced volume source boundary point analysis of various examples and the sound field of a vibrating rectangular box in a semi-anechoic chamber, it has revealed that the calculating speed of the EVSBPM is more than 10 times faster than that of the VSBPM while it works on the aspects of its calculating precision and stability, adaptation to geometric shape of vibrating body as well as its ability to overcome the non-uniqueness problem.

  15. Calculation of mean dose deposited in expended volume around an ion path

    Institute of Scientific and Technical Information of China (English)

    LiuXiao-Wei; ZhangChun-Xiang

    1998-01-01

    Using the relation of radial dose distributioin which is inverse proportion to suqare of radial distance,and considering angular distribution of secondary electrons,an analytical formula of mean dose deposited in extended volume around an ion is given and the inactivation cross sections of heavy ions are calculated.The results are in reasonable agreement with experimental data.Compared to the numerical integral methods,the method using analytical formulae is straightforward and simple.

  16. IMRT: Improvement in treatment planning efficiency using NTCP calculation independent of the dose-volume-histogram

    International Nuclear Information System (INIS)

    The normal tissue complication probability (NTCP) is a predictor of radiobiological effect for organs at risk (OAR). The calculation of the NTCP is based on the dose-volume-histogram (DVH) which is generated by the treatment planning system after calculation of the 3D dose distribution. Including the NTCP in the objective function for intensity modulated radiation therapy (IMRT) plan optimization would make the planning more effective in reducing the postradiation effects. However, doing so would lengthen the total planning time. The purpose of this work is to establish a method for NTCP determination, independent of a DVH calculation, as a quality assurance check and also as a mean of improving the treatment planning efficiency. In the study, the CTs of ten randomly selected prostate patients were used. IMRT optimization was performed with a PINNACLE3 V 6.2b planning system, using planning target volume (PTV) with margins in the range of 2 to 10 mm. The DVH control points of the PTV and OAR were adapted from the prescriptions of Radiation Therapy Oncology Group protocol P-0126 for an escalated prescribed dose of 82 Gy. This paper presents a new model for the determination of the rectal NTCP (RNTCP). The method uses a special function, named GVN (from Gy, Volume, NTCP), which describes the RNTCP if 1 cm3 of the volume of intersection of the PTV and rectum (Rint) is irradiated uniformly by a dose of 1 Gy. The function was 'geometrically' normalized using a prostate-prostate ratio (PPR) of the patients' prostates. A correction of the RNTCP for different prescribed doses, ranging from 70 to 82 Gy, was employed in our model. The argument of the normalized function is the Rint, and parameters are the prescribed dose, prostate volume, PTV margin, and PPR. The RNTCPs of another group of patients were calculated by the new method and the resulting difference was <±5% in comparison to the NTCP calculated by the PINNACLE3 software where Kutcher's dose-response model for

  17. Visualization of Gas-to-Liquid (GTL) Fuel Liquid Length and Soot Formation in the Constant Volume Combustion Chamber

    Science.gov (United States)

    Azimov, Ulugbek; Kim, Ki-Seong

    In this research, GTL spray combustion was visualized in an optically accessible quiescent constant-volume combustion chamber. The results were compared with the spray combustion of diesel fuel. Fast-speed photography with direct laser sheet illumination was used to determine the fuel liquid-phase length, and shadowgraph photography was used to determine the distribution of the sooting area in the fuel jet. The results showed that the fuel liquid-phase length of GTL fuel jets stabilized at about 20-22mm from the injector orifice and mainly depended on the ambient gas temperature and fuel volatility. GTL had a slightly shorter liquid length than that of the diesel fuel. This tendency was also maintained when multiple injection strategy was applied. The penetration of the tip of the liquid-phase fuel during pilot injection was a little shorter than the penetration during main injection. The liquid lengths during single and main injections were identical. In the case of soot formation, the results showed that soot formation was mainly affected by air-fuel mixing, and had very weak dependence on fuel volatility.

  18. Research on Cellular Instabilities of Lean Premixed Syngas Flames under Various Hydrogen Fractions Using a Constant Volume Vessel

    Directory of Open Access Journals (Sweden)

    Hong-Meng Li

    2014-07-01

    Full Text Available An experimental study of the intrinsic instabilities of H2/CO lean (φ = 0.4 to φ = 1.0 premixed flames at different hydrogen fractions ranging from 0% to 100% at elevated pressure and room temperature was performed in a constant volume vessel using a Schlieren system. The unstretched laminar burning velocities were compared with data from the previous literature and simulated results. The results indicate that excellent agreements are obtained. The cellular instabilities of syngas-air flames were discussed and critical flame radii were measured. When hydrogen fractions are above 50%, the flame tends to be more stable as the equivalence ratio increases; however, the instability increases for flames of lower hydrogen fractions. For the premixed syngas flame with hydrogen fractions greater than 50%, the decline in cellular instabilities induced by the increase in equivalence ratio can be attributed to a reduction of diffusive-thermal instabilities rather than increased hydrodynamic instabilities. For premixed syngas flames with hydrogen fractions lower than 50%, as the equivalence ratio increases, the cellular instabilities become more evident because the enhanced hydrodynamic instabilities become the dominant effect. For premixed syngas flames, the enhancement of cellular instabilities induced by the increase in hydrogen fraction is the result of both increasing diffusive-thermal and hydrodynamic instabilities.

  19. Measurements of Enthalpy Change of Reaction of Formation, Molar Heat Capacity and Constant-Volume Combustion Energy of Solid Complex Yb(Et2dtc)3(phen)

    Institute of Scientific and Technical Information of China (English)

    Song Weiming; Hu Qilin; Chang Xuan; Chen Sanping; Xie Gang; Gao Shengli

    2006-01-01

    A ternary solid complex Yb(Et2dtc)3(phen) was obtained from the reaction of hydrous ytterbium chloride with sodium diethyldithiocarbamate (NaEt2dtc), and 1, 10-phenanthroline (o-phen·H2O) in absolute ethanol.The bonding characteristics of the complex were characterized by IR.The result shows Yb3+ bands with two sulfur atoms in the Na(Et2dtc)3 and two nitrogen atoms in the o-phen.The enthalpy change of liquid-phase reaction of formation of the complex ΔrHθm (l), was determined as being (-24.838±0.114) kJ·mol-1 at 298.15 K, by an RD-496 Ⅲ type heat conduction microcalormeter.The enthalpy change of the solid-phase reaction of formation of the complex ΔrHθm (s), was calculated as being (108.015±0.479) kJ·mol-1 on the basis of an appropriate thermochemistry cycle.The thermodynamics of liquid-phase reaction of formation of the complex was investigated by changing the temperature during the liquid-phase reaction.Fundamental parameters, the activation enthalpy, ΔHθ≠, the activation entropy, ΔSθ≠, the activation free energy, ΔGθ≠, the apparent reaction rate constant k, the apparent activation energy E, the pre-exponential constant A, and the reaction order n, were obtained by a combination of the reaction thermodynamic and kinetic equations with the data from the thermokinetic experiments.At the same time, the molar heat capacity of the complex cm, p, was determined to be (86.34±1.74) J·mol-1·K-1 by the same microcalormeter.The constant-volume combustion energy of the complex, ΔcU, was determined to be (-17954.08±8.11) kJ·mol-1 by an RBC-Ⅱ type rotating-bomb calorimeter at 298.15 K.Its standard enthalpy of combustion, ΔcHθm, and standard enthalpy of formation, ΔfHθm, were calculated to be (-17973.29±8.11) kJ·mol-1 and (-770.36±9.02) kJ·mol-1, respectively.

  20. On the calculation of nuclear spin-spin coupling constants. The bond length dependence of the Fermi contact term in H 2 and HD

    Science.gov (United States)

    Bacskay, George B.

    1995-08-01

    A theoretical study of the Fermi contact contribution to the HH and HD spin-spin coupling constant is reported, with special emphasis on its calculation using quantum chemical techniques over a wide range of internuclear distances, that has necessitated an extension of the existing methodology so the effects of near-degeneracy are properly treated. A detailed configuration interaction calculation on H 2 shows that as the molecule is stretched the coupling constant displays a sharp increase before decaying to zero as the molecule dissociates. Such distance dependence is reflected in the calculated vibrational averages of the coupling constant for HD that show a rapid increase with vibrational excitation.

  1. Calculation of constants of acid-base equilibria at the oxide-electrolyte interface from electrokinetic potential dependence on pH

    International Nuclear Information System (INIS)

    Method is proposed for calculating the constants of acid-base equilibria at the oxide-electrolyte interface. The method is based on the electrokinetic potential dependence on ph value at different electrolyte concentrations. It is shown that the calculated constant values for La2O3 and ZrO2 equal correspondingly 7.3 and 3.9 (pK10); 11.9 and 9.1 (pK20); 9.2 and 5.8 (pK30); 10.0 and 7.2 (pK40) agree well with literature data. 21 refs.; 3 figs.; 3 tabs

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

    OpenAIRE

    Naser Samadi; Mina Salamati; Abdolhossein Naseri

    2013-01-01

    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 al...

  3. 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.

  4. Calculation of partial molar volume of components in supercritical ammonia synthesis system

    Institute of Scientific and Technical Information of China (English)

    Cunwen WANG; Chuanbo YU; Wen CHEN; Weiguo WANG; Yuanxin WU; Junfeng ZHANG

    2008-01-01

    The partial molar volumes of components in supercritical ammonia synthesis system are calculated in detail by the calculation formula of partial molar volume derived from the R-K equation of state under different conditions. The objectives are to comprehend phase beha-vior of components and to provide the theoretic explana-tion and guidance for probing novel processes of ammonia synthesis under supercritical conditions. The conditions of calculation are H2/N2= 3, at a concentra-tion of NH3 in synthesis gas ranging from 2% to 15%, Concentration of medium in supercritical ammonia syn-thesis system ranging from 20% to 50%, temperature ran-ging from 243 K to 699 K and pressure ranging from 0.1 MPa to 187 MPa. The results show that the ammonia synthesis system can reach supercritical state by adding a suitable supercritical medium and then controlling the reaction conditions. It is helpful for the supercritical ammonia synthesis that medium reaches supercritical state under the conditions of the corresponding total pres-sure and components near the normal temperature or near the critical temperature of medium or in the range of tem-perature of industrialized ammonia synthesis.

  5. 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...

  6. 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

  7. 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

  8. 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.

  9. 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 100physically 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.

  10. 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.

  11. 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

  12. 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).

  13. Calculation of the Residual Blood Volume after Acute, Non-Ongoing Hemorrhage Using Serial Hematocrit Measurements and the Volume of Isotonic Fluid Infused: Theoretical Hypothesis Generating Study.

    Science.gov (United States)

    Oh, Won Sup; Chon, Sung-Bin

    2016-05-01

    Fluid resuscitation, hemostasis, and transfusion is essential in care of hemorrhagic shock. Although estimation of the residual blood volume is crucial, the standard measuring methods are impractical or unsafe. Vital signs, central venous or pulmonary artery pressures are inaccurate. We hypothesized that the residual blood volume for acute, non-ongoing hemorrhage was calculable using serial hematocrit measurements and the volume of isotonic solution infused. Blood volume is the sum of volumes of red blood cells and plasma. For acute, non-ongoing hemorrhage, red blood cell volume would not change. A certain portion of the isotonic fluid would increase plasma volume. Mathematically, we suggest that the residual blood volume after acute, non-ongoing hemorrhage might be calculated as 0·25N/[(Hct1/Hct2)-1], where Hct1 and Hct2 are the initial and subsequent hematocrits, respectively, and N is the volume of isotonic solution infused. In vivo validation and modification is needed before clinical application of this model.

  14. Free volume study on the origin of dielectric constant in a fluorine-containing polyimide blend: poly(vinylidene fluoride-co-hexafluoro propylene)/poly(ether imide).

    Science.gov (United States)

    Ramani, R; Das, V; Singh, A; Ramachandran, R; Amarendra, G; Alam, S

    2014-10-23

    The dielectric constant of fluorinated polymides, their blends, and composites is known to decrease with the increase in free volume due to a decrease in the number of polarizable groups per unit volume. Herein, we report an interesting finding on the origin of dielectric constant in a polymer blend prepared using a fluorine-containing polymer and a polyimide probed in terms of its available free volume, which is distinct from the generally observed behavior in fluorinated polyimides. For this study, a blend of poly(vinylidene fluoride-co-hexafluoro propylene) and poly(ether imide) was chosen and the interaction between them was studied using FTIR, XRD, TGA, and SEM. The blend was investigated by positron annihilation lifetime spectroscopy (PALS), Doppler broadening (DB), and dielectric analysis (DEA). With the increase in the free volume content in the blend, surprisingly, the dielectric constant also increases and is attributed to additional space available for the polarizable groups to orient themselves to the applied electric field. The results obtained would pave the way for more effective design of polymeric electrical charge storage devices.

  15. Multi-configuration Dirac-Hartree-Fock calculations of excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I

    CERN Document Server

    Zhou, Fuyang; Li, Jiguang; Wang, Jianguo

    2015-01-01

    The multi-configuration Dirac-Hartree-Fock method was employed to calculate the total and excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I. In the first-order perturbation approximation, we systematically analyzed correlation effects from each electrons and electron pairs. It was found that the core correlations are of importance for physical quantities concerned. Based on the analysis, the important configuration state wave functions were selected to constitute atomic state wave functions. By using this computational model, our excitation energies, oscillator strengths, and hyperfine structure constants are in better agreement with experimental values than earlier theoretical works.

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

    International Nuclear Information System (INIS)

    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

  17. A method of calculating a lung clinical target volume DVH for IMRT with intrafractional motion.

    Science.gov (United States)

    Kung, J H; Zygmanski, P; Choi, N; Chen, G T Y

    2003-06-01

    The motion of lung tumors from respiration has been reported in the literature to be as large as 1-2 cm. This motion requires an additional margin between the Clinical Target Volume (CTV) and the Planning Target Volume (PTV). In Intensity Modulated Radiotherapy (IMRT), while such a margin is necessary, the margin may not be sufficient to avoid unintended high and low dose regions to the interior on moving CTV. Gated treatment has been proposed to improve normal tissues sparing as well as to ensure accurate dose coverage of the tumor volume. The following questions have not been addressed in the literature: (a) what is the dose error to a target volume without a gated IMRT treatment? (b) What is an acceptable gating window for such a treatment. In this study, we address these questions by proposing a novel technique for calculating the three-dimensional (3-D) dose error that would result if a lung IMRT plan were delivered without a gated linac beam. The method is also generalized for gated treatment with an arbitrary triggering window. IMRT plans for three patients with lung tumors were studied. The treatment plans were generated with HELIOS for delivery with 6 MV on a CL2100 Varian linear accelerator with a 26 pair MLC. A CTV to PTV margin of 1 cm was used. An IMRT planning system searches for an optimized fluence map phi(x,y) for each port, which is then converted into a dynamic MLC file (DMLC). The DMLC file contains information about MLC subfield shapes and the fractional Monitor Units (MUs) to be delivered for each subfield. With a lung tumor, a CTV that executes a quasiperiodic motion z(t) does not receive phi(x,y), but rather an Effective Incident Fluence EIF(x,y). We numerically evaluate the EIF(x,y) from a given DMLC file by a coordinate transformation to the Target's Eye View (TEV). In the TEV coordinate system, the CTV itself is stationary, and the MLC is seen to execute a motion -z(t) that is superimposed on the DMLC motion. The resulting EIF(x,y) is

  18. Revised Calculated Volumes Of Individual Shield Volcanoes At The Young End Of The Hawaiian Ridge

    Science.gov (United States)

    Robinson, J. E.; Eakins, B. W.

    2003-12-01

    Recent, high-resolution multibeam bathymetry and a digital elevation model of the Hawaiian Islands allow us to recalculate Bargar and Jackson's [1974] volumes of coalesced volcanic edifices (Hawaii, Maui-Nui, Oahu, Kauai, and Niihau) and individual shield volcanoes at the young end of the Hawaiian Ridge, taking into account subsidence of the Pacific plate under the load of the volcanoes as modeled by Watts and ten Brink [1989]. Our volume for the Island of Hawaii (2.48 x105 km3) is twice the previous estimate (1.13 x105 km3), due primarily to crustal subsidence, which had not been accounted for in the earlier work. The volcanoes that make up the Hawaii edifice (Mahukona, Kohala, Mauna Kea, Hualalai, Mauna Loa, Kilauea, and Loihi) are generally considered to have formed within the past million years and our revised volume for Hawaii indicates that either magma-supply rates are greater than previously estimated (0.25 km3/yr as opposed to 0.1 km3/yr) or that Hawaii's volcanoes have erupted over a longer period of time (>1 million years). Our results also indicate that magma supply rates have increased dramatically to build the Hawaiian edifices: the average rate of the past 5 million years (0.096 km3/yr) is substantially greater than the overall average of the Hawaiian Ridge (0.018km3/yr) or Emperor Seamounts (0.012 km3/yr) as calculated by Bargar and Jackson, and that rates within the past million years are greater still (0.25 km3/yr). References: Bargar, K. E., and Jackson, E. D., 1974, Calculated volumes of individual shield volcanoes along the Hawaiian-Emperor Chain, Jour. Research U.S. Geol. Survey, Vol. 2, No. 5, p. 545-550. Watts, A. B., and ten Brink, U. S., 1989, Crustal structure, flexure, and subsidence history of the Hawaiian Islands, Jour. Geophys. Res., Vol. 94, No. B8, p. 10,473-10,500.

  19. A method of calculating a lung clinical target volume DVH for IMRT with intrafractional motion

    International Nuclear Information System (INIS)

    The motion of lung tumors from respiration has been reported in the literature to be as large as 1-2 cm. This motion requires an additional margin between the Clinical Target Volume (CTV) and the Planning Target Volume (PTV). In Intensity Modulated Radiotherapy (IMRT), while such a margin is necessary, the margin may not be sufficient to avoid unintended high and low dose regions to the interior on moving CTV. Gated treatment has been proposed to improve normal tissues sparing as well as to ensure accurate dose coverage of the tumor volume. The following questions have not been addressed in the literature: (a) what is the dose error to a target volume without a gated IMRT treatment? (b) What is an acceptable gating window for such a treatment. In this study, we address these questions by proposing a novel technique for calculating the three-dimensional (3-D) dose error that would result if a lung IMRT plan were delivered without a gated linac beam. The method is also generalized for gated treatment with an arbitrary triggering window. IMRT plans for three patients with lung tumors were studied. The treatment plans were generated with HELIOS for delivery with 6 MV on a CL2100 Varian linear accelerator with a 26 pair MLC. A CTV to PTV margin of 1 cm was used. An IMRT planning system searches for an optimized fluence map Φ(x,y) for each port, which is then converted into a dynamic MLC file (DMLC). The DMLC file contains information about MLC subfield shapes and the fractional Monitor Units (MUs) to be delivered for each subfield. With a lung tumor, a CTV that executes a quasiperiodic motion z(t) does not receive Φ(x,y), but rather an Effective Incident Fluence EIF(x,y). We numerically evaluate the EIF(x,y) from a given DMLC file by a coordinate transformation to the Target's Eye View (TEV). In the TEV coordinate system, the CTV itself is stationary, and the MLC is seen to execute a motion -z(t) that is superimposed on the DMLC motion. The resulting EIF(x,y) is input

  20. 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.

  1. High-accuracy Complete Active Space multiconfiguration Dirac-Hartree-Fock calculations of hyperfine structure constants of the gold atom

    OpenAIRE

    Bierón, Jacek; Froese Fischer, Charlotte; Indelicato, Paul; Jönsson, Per; Pyykkö, Pekka

    2009-01-01

    The multiconfiguration Dirac-Hartree-Fock (MCDHF) model has been employed to calculate the expectation values for the hyperfine splittings of the 5d96s2 2D3/2 and 5d96s2 2D5/2 levels of atomic gold. One-, two-, and three-body electron correlation effects involving all 79 electrons have been included in a systematic manner. The approximation employed in this study is equivalent to a Complete Active Space (CAS) approach. Calculated electric field gradients, together with experimental values of ...

  2. Matching Excluded Volume Hadron Resonance Gas Models and Perturbative QCD to Lattice Calculations

    CERN Document Server

    Albright, M; Young, C

    2014-01-01

    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 chi-square fit to accurate lattice calculations with temperature $100 < T < 1000$ MeV determines the parameters. These parameters quantify the behavior of the QCD running gauge coupling and the hard core radius of protons and neutrons, which turns out to be $0.62 \\pm 0.04$ 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 b...

  3. Effect of selected calculation routines and dissociation constants on the determination of total carbon dioxide in seawater

    NARCIS (Netherlands)

    Stoll, M.H.C.; Rommets, J.W.; Baar, H.J.W. de

    1993-01-01

    During the 1989 and 1990 JGOFS North Atlantic Pilot Study a comparison was made between the Coulometric and the acid titration method for determination of total carbon dioxide (TCO2) in seawater. TCO2 and alkalinity have been calculated from acid titration using either the modified Gran plot or the

  4. Multi-configuration Dirac-Hartree-Fock calculations of excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I

    OpenAIRE

    Zhou, Fuyang; Qu, Yizhi; Li, Jiguang; Wang, Jianguo

    2015-01-01

    The multi-configuration Dirac-Hartree-Fock method was employed to calculate the total and excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I. In the first-order perturbation approximation, we systematically analyzed correlation effects from each electrons and electron pairs. It was found that the core correlations are of importance for physical quantities concerned. Based on the analysis, the important configuration state wave functions we...

  5. Resolution of a Challenge for Solvation Modeling: Calculation of Dicarboxylic Acid Dissociation Constants Using Mixed Discrete-Continuum Solvation Models

    Energy Technology Data Exchange (ETDEWEB)

    Marenich, Aleksandr; Ding, Wendu; Cramer, Christopher J.; Truhlar, Donald G.

    2012-06-07

    First and second dissociation constants (pKa values) of oxalic acid, malonic acid, and adipic acid were computed by using a number of theoretical protocols based on density functional theory and using both continuum solvation models and mixed discrete-continuum solvation models. We show that fully implicit solvation models (in which the entire solvent is represented by a dielectric continuum) fail badly for dicarboxylic acids with mean unsigned errors averaged over six pKa values) of 2.4-9.0 log units, depending on the particular implicit model used. The use of water-solute clusters and accounting for multiple conformations in solution significantly improve the performance of both generalized Born solvation models and models that solve the nonhomogeneous dielectric Poisson equation for bulk electrostatics. The four most successful models have mean unsigned errors of only 0.6-0.8 log units.

  6. The role of the magnetic orbitals in the calculation of the magnetic coupling constants from multireference perturbation theory methods.

    Science.gov (United States)

    Angeli, Celestino; Calzado, Carmen J

    2012-07-21

    The use of multireference perturbation theory (MRPT) for the calculation of the magnetic coupling in binuclear complexes has shown to give poor results if applied on a minimal active space complete active space self-consistent field (CASSCF) wavefunction. In this work, we identify the origin of this problem in the starting CASSCF orbitals, which are exceedingly localized on the metal atoms. Focusing on the case of antiferromagnetic systems, it is shown that the form of the active orbitals has a dramatic effect on the relative description of the neutral and ionic structures. Finally, a simple and computational inexpensive strategy is proposed for the calculation of a set of magnetic orbitals describing in a more balanced way the neutral and ionic structures. The use of these orbitals, instead the CASSCF ones, in minimal active space MRPT2 calculations leads to a marked improvement of the J values, which become in reasonable agreement with those obtained with the expensive high level difference dedicated configuration interaction approach and with the experimental values.

  7. Integrated system for production of neutronics and photonics calculational constants. Supplemental neutron-induced interactions (Z > 35): graphical, experimental data

    International Nuclear Information System (INIS)

    This report (vol. 8) presents graphs of supplemental neutron-induced cross sections in the Experimental Cross Section Information Library (ECSIL) as of July 4, 1976. It consists of interactions where more than one data set is needed to show cross-section behavior. In contrast, vol. 7 of this UCRL-50400 series consists primarily of interactions where a single data set contains enough points to show cross-section behavior. Vol. 7 contains total, elastic, capture, and fission cross sections (along with the parameters anti ν, α, and eta). Volume 8 contains all other reactions. Data are plotted with associated cross-section error bars (when given) and compared with the Evaluated Nuclear Data Library (ENDL) as of July 4, 1976. The plots are arranged in ascending order of atomic number (Z) and atomic weight (A). Part A contains the plots for Z = 1 to 35; Part B contains the plots for Z greater than 35

  8. Calculation of Metzner Constant for Double Helical Ribbon Impeller by Computational Fluid Dynamic Method%双螺带桨Metzner常数的模拟计算

    Institute of Scientific and Technical Information of China (English)

    张敏革; 张吕鸿; 姜斌; 尹玉国; 李鑫钢

    2008-01-01

    Using the multiple reference frames(MRF)impeller method,the three-dimensional non-Newtonian flow field generated by a double helical ribbon(DHR)impeller has been simulated.The velocity field calculated by thc numerical simulation was similar to the previous studies and the power constant agreed well with the experi-mental data.Three computational fluid dynamic(CFD)methods,labeled Ⅰ,Ⅱ and Ⅲ,were used to compute the Metzner constant ks.The results showed that the calculated value from the slop method(method I)was consistent with the experimental data.Method Ⅱ.which took the maximal circumference-average shear rate around the impel-ler as the effective shear rate to compute ks,also showed good agreement with the experiment.However,both methods SUgcr from the complexity of calculation procedures.A new method(method III)was devised in this papcr to use the area.weighted average viscosity around the impeller as the effective viscosity for calculating ks.Method Ⅲ showed both good accuracy and ease of use.

  9. First principles calculations of formation energies and elastic constants of inclusions α-Al2O3, MgO and AlN in aluminum alloy

    Science.gov (United States)

    Liu, Yu; Huang, Yuanchun; Xiao, Zhengbing; Yang, Chuge; Reng, Xianwei

    2016-05-01

    In this paper, the formation energies and elastic constants of α-Al2O3, MgO and AlN in both rock salt (cubic) and wurtzite (hexagonal) structures were investigated by first principles calculations. The results show that the formation energy being -17.8, -6.3, -3.06 and -3.46 eV/formula unit for α-Al2O3, MgO, AlN (rock salt) and AlN (wurtzite). It suggests that in the ground state, α-Al2O3 is relatively more stable than MgO and AlN. The elastic properties for a polycrystalline in the ground state were calculated with the obtained elastic constants, the elastic properties reveal the rock salt structure AlN is the hardest particles among all the inclusions, and all of these inclusions are classified as brittle materials, which is detrimental to the ductile nature of aluminum matrix. The calculated anisotropy index shows that the AlN (wurtzite) and α-Al2O3 have a lower degree of anisotropy compared with MgO and AlN (rock salt). The calculated results are in good agreement with the values of experimental and other works.

  10. Eruption versus intrusion? Arrest of propagation of constant volume, buoyant, liquid-filled cracks in an elastic, brittle host

    Science.gov (United States)

    Taisne, B.; Tait, S.

    2009-06-01

    When a volume of magma is released from a source at depth, one key question is whether or not this will culminate in an eruption or in the emplacement of a shallow intrusion. We address some of the physics behind this question by describing and interpreting laboratory experiments on the propagation of cracks filled with fixed volumes of buoyant liquid in a brittle, elastic host. Experiments were isothermal, and the liquid was incompressible. The cracks propagated vertically because of liquid buoyancy but were then found to come to a halt at a configuration of static mechanical equilibrium, a result that is inconsistent with the prediction of the theory of linear elastic fracture mechanics in two dimensions. We interpret this result as due to a three-dimensional effect. At the curved crack front, horizontal cracking is necessary in order for vertical propagation to take place. As the crack elongates and thins, the former becomes progressively harder and, in the end, impossible to fracture. We present a scaling law for the final length and breadth of cracks as a function of a governing dimensionless parameter, constructed from the liquid volume, the buoyancy, and host fracture toughness. An important implication of this result is that a minimum volume of magma is required for a volcanic eruption to occur for a given depth of magma reservoir.

  11. Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework.

    Science.gov (United States)

    Sasmal, Sudip; Pathak, Himadri; Nayak, Malaya K; Vaval, Nayana; Pal, Sourav

    2015-08-28

    The effective electric field experienced by the unpaired electron in the ground state of PbF, which is a potential candidate in the search of electron electric dipole moment due to some special characteristics, is calculated using Z-vector method in the coupled cluster single- and double- excitation approximation with four component Dirac spinor. This is an important quantity to set the upper bound limit of the electron electric dipole moment. Further, we have calculated molecular dipole moment and parallel magnetic hyperfine structure constant (A‖) of (207)Pb in PbF to test the accuracy of the wavefunction obtained in the Z-vector method. The outcome of our calculations clearly suggests that the core electrons have significant contribution to the "atom in compound" properties. PMID:26328830

  12. In situ measurement of reaction volume and calculation of pH of weak acid buffer solutions under high pressure.

    Science.gov (United States)

    Min, Stephen K; Samaranayake, Chaminda P; Sastry, Sudhir K

    2011-05-26

    Direct measurements of reaction volume, so far, have been limited to atmospheric pressure. This study describes a method for in situ reaction volume measurements under pressure using a variable volume piezometer. Reaction volumes for protonic ionization of weak acid buffering agents (MES, citric acid, sulfanilic acid, and phosphoric acid) were measured in situ under pressure up to 400 MPa at 25 °C. The methodology involved initial separation of buffering agents within the piezometer using gelatin capsules. Under pressure, the volume of the reactants was measured at 25 °C, and the contents were heated to 40 °C to dissolve the gelatin and allow the reaction to occur, and cooled to 25 °C, where the volume of products was measured. Reaction volumes were used to calculate pH of the buffer solutions as a function of pressure. The results show that the measured reaction volumes as well as the calculated pH values generally quite agree with their respective theoretically predicted values up to 100 MPa. The results of this study highlight the need for a comprehensive theory to describe the pressure behavior of ionization reactions in realistic systems especially at higher pressures. PMID:21542618

  13. Calculation of binding constants and concentration of binding sites in a reaction of a ligand with a heterogeneous system of binding sites

    International Nuclear Information System (INIS)

    A method is presented for the calculation of association constants and the concentration of binding sites in a reaction of a ligand with a heterogeneous system of binding sites. The Scatchard plot for such a system is curvelinear and the method employs previously established relationships between the parameters of the limiting slopes to such a curve and the above mentioned association constants and concentrations of binding sites. The special case of a system with two different and non-interacting groups of binding sites was solved. The expressions thus obtained were used to characterize the reaction of a polypeptide neurotoxin with its specific binding sites in a membranal preparation from insect central nervous system. Moreover it is evident from these expressions that the widely accepted method to analyze such system, by an intuitive generalization of the method applicable to homogeneous systems, is erroneous and should be avoided. (author)

  14. 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....

  15. Unique Physically Anchored Cryptographic Theoretical Calculation of the Fine-Structure Constant {\\alpha} Matching both the g/2 and Interferometric High-Precision Measurements

    CERN Document Server

    Rhodes, Charles Kirkham

    2010-01-01

    The fine-structure constant {\\alpha}, the dimensionless number that represents the strength of electromagnetic coupling in the limit of sufficiently low energy interactions, is the crucial fundamental physical parameter that governs a nearly limitless range of phenomena involving the interaction of radiation with materials. Ideally, the apparatus of physical theory should be competent to provide a calculational procedure that yields a quantitatively correct value for {\\alpha} and the physical basis for its computation. This study presents the first demonstration of an observationally anchored theoretical procedure that predicts a unique value for {\\alpha} that stands in full agreement with the best (~370 ppt) high-precision experimental determinations. In a directly connected cryptographic computation, the method that gives these results also yields the magnitude of the cosmological constant {\\Omega}{\\Lambda} in conformance with the observational data and the condition of perfect flatness ({\\Omega}{\\Lambda} +...

  16. A Comparative Study of Elastic Constants of NiTi and NiAl Alloys from First-Principle Calculations

    Institute of Scientific and Technical Information of China (English)

    Jianmin Lu; Qingmiao Hu; Rui Yang

    2009-01-01

    To investigate the origin of the strong dependence of martensitic transformation temperature on composition,the elastic properties of high temperature B2 phases of both NiTi and NiAl were calculated by a first-principle method, the exact-muffin orbital method within coherent potential approximation. In the composition range of 50-56 at. pct Ni of NiTi and 60-70 at. pct Ni of NiAI in which martensitic transformation occurs, non-basalplane shear modulus c44 increases with increasing Ni content, while basal-plane shear modulus c' decreases.In the above composition ranges however the transformation temperature of NiAI increases with increasing Ni content while that of NiTi decreases from experimental observation. The softening of c' is experimentally observed only in NiAl, and the decrease of c' with increasing Ni content is responsible for the increase of transformation temperature. The result of the present work demonstrates that, besides c', c44 also influences the martensitic transformation of NiTi and plays quite important a role.

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

    OpenAIRE

    Xie, Hongzhan; Song, Lanbo; Xie, Yizhi; Pi, Dong; Shao, Chunyu; Lin, Qizhao

    2015-01-01

    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 equipp...

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

    OpenAIRE

    Hongzhan Xie; Lanbo Song; Yizhi Xie; Dong Pi; Chunyu Shao; Qizhao Lin

    2015-01-01

    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 equi...

  20. 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.

  1. Prediction of the Conductance of Strong Electrolytes and the Calculation of the Ionization Constant of Weak Electrolytes in a Dilute Solution by a New Equation

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    In order to predict the conductance for dilute 1-1 valent electrolyte solutions,a new conductance equation was proposed based on the Onsager and Onsagar-Fuoss-Chen conductance equation.It has only one parameter A,which can be obtained directly from the data of ionic limiting molar conductivity Λ∞m,and its expression is very simple.The new equation has been verified by the experimental molar conductivities of some single strong electrolyte and mixed electrolyte solutions at 298.15 K reported in literatures.The results are in good agreement with the experimental data.Meanwhile the ionization constants of some weak electrolyte solutions were calculated by a modified equation of this new equation,and it was also found that the calculation results are in good agreement with the data in the literature.

  2. Ab initio calculations on the spectroscopic constants,vibrational levels and classical turning points for the 21Πu state of dimer 7Li2

    Institute of Scientific and Technical Information of China (English)

    Liu Yu-Fang; Sun Jin-Feng; Ma Heng; Zhu Zun-Lue

    2007-01-01

    The accurate dissociation energy and harmonic frequency for the highly excited 21 Πu state of dimer 7Li2 have been calculated using a symmetry-adapted-cluster configuration-interaction method in complete active space.The calculated results are in excellent agreement with experimental measurements.The potential energy curves at numerous basis sets for this state are obtained over a wide internuclear separation range from about 2.4ao to 37.0ao.And the conclusion is gained that the basis set 6-311++G(d,p) is a most suitable one.The calculated spectroscopic constants De,Re,ωe,ωeχe,αe and Be at 6-311++G(d,p) are 0.9670 eV,0.3125 nm,238.6 cm-1,1.3705cm-1,0.0039 cm-1 and 0.4921 cm-1.respectively.The vibrational levels are calculated by solving the radial Schr(o)dinger equation of nuclear motion.A total of 53 vibrational levels are found and reported for the first time.The classical turning points have been computed.Comparing with the measurements,in which only the first nine vibrational levels have been obtained so far,the present calculations are very encouraging.A careful comparison of the present results of the parameters De and ωe with those obtained from previous theories clearly shows that the present calculations are much closer to the measurements than previous theoretical results,thus representing an improvement on the accuracy of the ab initio calculations of the potentials for this state.

  3. 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.

  4. 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.

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

    International Nuclear Information System (INIS)

    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

  6. 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.

  7. [Automatic calculation of left ventricular volume and ejection fraction from gated myocardial perfusion SPECT--basic evaluation using phantom].

    Science.gov (United States)

    Kinoshita, Y; Nanbu, I; Tohyama, J; Ooba, S

    1998-02-01

    We evaluated accuracy of Quantitative Gated SPECT Program that enabled calculation of the left ventricular (LV) volume and ejection fraction by automatically tracing the contour of the cardiac surface. Cardiac phantoms filled with 99mTc-solution were used. Data acquisition was made by 180-degree projection in L type and 360-degree projection in opposed type. Automatic calculation could be done in all processes, which required 3-4 minutes. Reproducibility was sufficient. The adequate cut off value of a prefilter was 0.45. At this value LV volume was 93% of the actual volume in L type acquisition and 95.9% in opposed type acquisition. The LV volume obtained in L type was smaller than that obtained in opposed type (p defects was fair, on the cardiac phantoms with all of 90-degree defects and 180-degree defects of the septal and lateral wall. The LV volume was estimated to be larger on the phantom with 180-degree defect of the anterior wall, and to be smaller on the phantom of 180-degree defect of the inferoposterior wall. Because tracing was deviated anteriorly at the defects. In the patients with similar conditions to 180-degree defect of the anterior wall or inferoposterior wall, the LV volume should be carefully evaluated.

  8. Automatic calculation of left ventricular volume and ejection fraction from gated myocardial perfusion SPECT. Basic evaluation using phantom

    Energy Technology Data Exchange (ETDEWEB)

    Kinoshita, Yoshimi; Nanbu, Ichirou [Nagoya Daini Red Cross Hospital (Japan); Tohyama, Junko; Ooba, Satoru

    1998-02-01

    We evaluated accuracy of Quantitative Gated SPECT Program that enabled calculation of the left ventricular (LV) volume and ejection fraction by automatically tracing the contour of the cardiac surface. Cardiac phantoms filled with {sup 99m}Tc-solution were used. Data acquisition was made by 180-degree projection in L type and 360-degree projection in opposed type. Automatic calculation could be done in all processes, which required 3-4 minutes. Reproducibility was sufficient. The adequate cut off value of a prefilter was 0.45. At this value LV volume was 93% of the actual volume in L type acquisition and 95.9% in opposed type acquisition. The LV volume obtained in L type was smaller than that obtained in opposed type (p<0.05). The tracing of the defects was fair, on the cardiac phantoms with all of 90-degree defects and 180-degree defects of the septal and lateral wall. The LV volume was estimated to be larger on the phantom with 180-degree defect of the anterior wall, and to be smaller on the phantom of 180-degree defect of the inferoposterior wall. Because tracing was deviated anteriorly at the defects. In the patients with similar conditions to 180-degree defect of the anterior wall or inferoposterior wall, the LV volume should be carefully evaluated. (author)

  9. Uranium Mill Tailings Remedial Action Project (UMTRAP), Slick Rock, Colorado, Revision 1. Volume 2, Calculations, Final design for construction

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-09-01

    Volume two contains calculations for: embankment design--slope stability analysis; embankment design--excavation stability; embankment design--settlement and cover cracking analysis; radon barrier design--statistical analysis of ra-226 concentrations for North Continent and Union Carbide sites; radon barrier design--RAECOM input data; radon barrier design--design thickness; and cover design--frost penetration depth.

  10. 3-D volume rendering visualization for calculated distributions of diesel spray; Diesel funmu kyodo suchi keisan kekka no sanjigen volume rendering hyoji

    Energy Technology Data Exchange (ETDEWEB)

    Yoshizaki, T.; Imanishi, H.; Nishida, K.; Yamashita, H.; Hiroyasu, H.; Kaneda, K. [Hiroshima University, Hiroshima (Japan)

    1997-10-01

    Three dimensional visualization technique based on volume rendering method has been developed in order to translate calculated results of diesel combustion simulation into realistically spray and flame images. This paper presents an overview of diesel combustion model which has been developed at Hiroshima University, a description of the three dimensional visualization technique, and some examples of spray and flame image generated by this visualization technique. 8 refs., 8 figs., 1 tab.

  11. BDflex: A method for efficient treatment of molecular flexibility in calculating protein-ligand binding rate constants from Brownian dynamics simulations

    Science.gov (United States)

    Greives, Nicholas; Zhou, Huan-Xiang

    2012-10-01

    A method developed by Northrup et al. [J. Chem. Phys. 80, 1517 (1984)], 10.1063/1.446900 for calculating protein-ligand binding rate constants (ka) from Brownian dynamics (BD) simulations has been widely used for rigid molecules. Application to flexible molecules is limited by the formidable computational cost to treat conformational fluctuations during the long BD simulations necessary for ka calculation. Here, we propose a new method called BDflex for ka calculation that circumvents this problem. The basic idea is to separate the whole space into an outer region and an inner region, and formulate ka as the product of kE and bar η _d, which are obtained by separately solving exterior and interior problems. kE is the diffusion-controlled rate constant for the ligand in the outer region to reach the dividing surface between the outer and inner regions; in this exterior problem conformational fluctuations can be neglected. bar η _d is the probability that the ligand, starting from the dividing surface, will react at the binding site rather than escape to infinity. The crucial step in reducing the determination of bar η _d to a problem confined to the inner region is a radiation boundary condition imposed on the dividing surface; the reactivity on this boundary is proportional to kE. By confining the ligand to the inner region and imposing the radiation boundary condition, we avoid multiple-crossing of the dividing surface before reaction at the binding site and hence dramatically cut down the total simulation time, making the treatment of conformational fluctuations affordable. BDflex is expected to have wide applications in problems where conformational fluctuations of the molecules are crucial for productive ligand binding, such as in cases where transient widening of a bottleneck allows the ligand to access the binding pocket, or the binding site is properly formed only after ligand entrance induces the closure of a lid.

  12. Expanded Lever Rule for Phase Volume Fraction Calculation of High-Strength Low-Alloy Steel in Thermal Simulation

    Science.gov (United States)

    Lei, Xuanwei; Huang, Jihua; Chen, Shuhai; Zhao, Xingke

    2016-06-01

    The principle of the lever rule on the dilatation curve and its application to the corresponding differential dilatation curve were introduced in a nonoverlapped two-phase continuous cooling process. The lever rule was further expanded in the case of an overlapped two-phase process. The application of the expanded lever rule was based on the approximate symmetry treatment on the differential dilatation curve, which shows reasonably both on the theoretical calculation and in the experimental results. High-strength low-alloy steels were thermal simulated with Gleeble 3500. The transformed phase volume fractions in different cooling processes were calculated by the expanded lever rule and metallography analysis. The results showed the expanded lever rule could calculate reliable phase volume fractions as metallography analysis.

  13. 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

    2012-12-01

    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.

  14. Higher-Order Calculations of Light Deflection and the Contribution of the Cosmological Constant to Einstein Radii around Clusters of Galaxies

    Science.gov (United States)

    Dossett, Jason; Ishak, M.; Rindler, W.; Moldenhauer, J.; Allison, C.

    2008-05-01

    Recently, Rindler and Ishak (2007) made a breakthrough in the field of gravitational lensing showing that a cosmological constant, Λ, will indeed contribute to the bending angle of light by a concentric mass, in fact, by decreasing it. Then Ishak et al. (2007) showed that the effect can be applied to observations of Einstein radii around clusters of galaxies. We present here various higher-order calculations and results for the bending angle and the Lambda contribution. Surprisingly, we find that the Lambda term is the next largest term after the Einstein first-order term for many cluster lens systems. For those lens systems, the Lambda contribution is larger than the second-order term and may be the next targeted term by future high precision experiments.

  15. Analytical continuation in coupling constant method; application to the calculation of resonance energies and widths for organic molecules: Glycine, alanine and valine and dimer of formic acid

    Energy Technology Data Exchange (ETDEWEB)

    Papp, P., E-mail: papp@fmph.uniba.sk [Department of Experimental Physics, Faculty of Mathematics, Physics and Informatics, Comenius University, Mlynská dolina, 84248 Bratislava (Slovakia); Matejčík, Š. [Department of Experimental Physics, Faculty of Mathematics, Physics and Informatics, Comenius University, Mlynská dolina, 84248 Bratislava (Slovakia); Mach, P.; Urban, J. [Department of Nuclear Physics and Biophysics, Faculty of Mathematics, Physics and Informatics, Comenius University, Mlynská dolina, 84248 Bratislava (Slovakia); Paidarová, I. [J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, CZ-182 23 Praha 8 (Czech Republic); Horáček, J., E-mail: horacek@mbox.troja.mff.cuni.cz [Charles University, Faculty of Mathematics and Physics, V Holešovičkách 2, CZ-180 00 Praha 8 (Czech Republic)

    2013-06-03

    Highlights: • The anions are stabilized by additional charges on the nuclei. • The energy dependence of anions and neutrals on nuclear charges are calculated by ab initio methods. • Resonance energies and widths are obtained from the energy data by analytical continuation with Padé approximation. • The resonance energies and widths of amino acids are compared with Nestmann–Peyerimhoff’s method and with experiment. • The resonance energies and (widths) of formic acid monomer and dimer are 2.09 (0.33) eV and 1.7 (0.13) eV, respectively. - Abstract: The method of analytic continuation in the coupling constant (ACCC) in combination with use of the statistical Padé approximation is applied to the determination of resonance energy and width of some amino acids and formic acid dimer. Standard quantum chemistry codes provide accurate data which can be used for analytic continuation in the coupling constant to obtain the resonance energy and width of organic molecules with a good accuracy. The obtained results are compared with the existing experimental ones.

  16. Densidades y Propiedades Volumétricas de Mezclas N,N-Dimetilformamida + Agua a Presión Constante de 98.93 kPa y a varias Temperaturas Densities and Volumetric Properties of Mixtures N,N-Dimethylformamide + Water at Constant Pressure of 98.93 kPa and various Temperatures

    Directory of Open Access Journals (Sweden)

    Manuel S Páez

    2009-01-01

    Full Text Available Este trabajo proporciona un conjunto de datos volumétricos para evaluar la influencia de la concentración y la temperatura sobre las interacciones moleculares entre N, N-Dimetilformamida (DMF y agua. Con este propósito e midió la densidad de mezclas acuosas binarias de DMF sobre el rango completo de concentración, a la presión de 98.93 kPa y a temperaturas desde 293,15K a 313,15K usando un densímetro de tubo vibratorio. Se calculó los volúmenes molares de exceso, volúmenes molares parciales y volúmenes molares parciales a dilución infinita. Los volúmenes molares parciales a dilución infinita de DMF en solución acuosa fueron obtenidos por extrapolación a cada temperatura. Los volúmenes molares de exceso fueron calculados a partir de los datos de densidad y correlacionados usando la ecuación polinomial de Redlich-Kister. La DMF presenta un comportamiento hidrofóbico similar a otros solutos orgánicos en medio acuoso, como alcoholes y polioles.This work provides a set of volumetric data to evaluate the influence of the concentration and the temperature on the molecular interactions between N, N-Dimetilformamida (DMF and water. Densities of binary aqueous mixtures of N, N-Dimethylformamide (DMF were measured over the entire composition range at constant pressure of 98.93 kPa and at temperatures from 293,15K and 313,15K using a vibrating-tube densimeter. Excess molar volumes and partial molar volume at infinite dilution were also calculated. The partial molar volumes at infinite dilution of DMF in aqueous solution were obtained by extrapolation at each temperature. The excess molar volumes were calculated from density data and fitted to the Redlich-Kister polynomial equation. The DMF presents a hydrophobic behavior similar to other organic solutes in water such alcohols and polyols.

  17. 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

  18. The vibrational spectrum and rotational constants of difluoroethyne FC 3/4 CF. Matrix and high resolution infrared studies and ab initio calculations

    Science.gov (United States)

    Bürger, H.; Schneider, W.; Sommer, S.; Thiel, W.; Willner, H.

    1991-10-01

    Infrared spectra of the short-lived difluoroethyne molecule have been recorded in neon and argon matrices between 200 and 5000 cm-1. Fourier transform infrared spectra with a resolution of 0.004 cm-1 have been measured in the gas phase around 1350 cm-1 (ν3, ν2+ν4+ν5, hot bands) and 2150 cm-1 (ν2+ν3, ν1-ν5, hot bands). The high resolution study yields rotational parameters of the ground and all singly excited vibrational states. The interpretation of the experimental data has been guided by ab initio calculations at the SCF (self-consistent-field) level and the correlated MP2 level (Moller-Plesset second order perturbation theory) employing three different large basis sets. The theoretical calculations provide the SCF and MP2 harmonic fields as well as the SCF anharmonic force field of FCCF. The agreement between the available theoretical and experimental results is generally quite good, with the exception of the spectroscopic constants involving the trans-bending mode ν4 where more theoretical work is required. The combined use of theoretical and experimental information leads to an estimate of the equilibrium structure [D∞h, re(CC)=1.1865 Å, re(CF)=1.2832 Å] and to recommended ``best'' values for the wave numbers of all fundamental vibrations based on the matrix and high resolution infrared data and some ab initio anharmonicity constants. The present study demonstrates the advantages of a combined theoretical and experimental approach to the spectroscopy of short-lived molecules.

  19. Calcul statistique du volume des blocs matriciels d'un gisement fissuré The Statistical Computing of Matrix Block Volume in a Fissured Reservoir

    Directory of Open Access Journals (Sweden)

    Guez F.

    2006-11-01

    Full Text Available La recherche des conditions optimales d'exploitation d'un gisement fissuré repose sur une bonne description de la fissuration. En conséquence il est nécessaire de définir les dimensions et volumes des blocs matriciels en chaque point d'une structure. Or la géométrie du milieu (juxtaposition et formes des blocs est généralement trop complexe pour se prêter au calcul. Aussi, dans une précédente communication, avons-nous dû tourner cette difficulté par un raisonnement sur des moyennes (pendages, azimuts, espacement des fissures qui nous a conduits à un ordre de grandeur des volumes. Cependant un volume moyen ne peut pas rendre compte d'une loi de répartition des volumes des blocs. Or c'est cette répartition qui conditionne le choix d'une ou plusieurs méthodes successives de récupération. Aussi présentons-nous ici une méthode originale de calcul statistique de la loi de distribution des volumes des blocs matriciels, applicable en tout point d'un gisement. La part de gisement concernée par les blocs de volume donné en est déduite. La connaissance générale du phénomène de la fracturation sert de base au modèle. Les observations de subsurface sur la fracturation du gisement en fournissent les données (histogramme d'orientation et d'espacement des fissures.Une application au gisement d'Eschau (Alsace, France est rapportée ici pour illustrer la méthode. The search for optimum production conditions for a fissured reservoir depends on having a good description of the fissure pattern. Hence the sizes and volumes of the matrix blocks must be defined at all points in a structure. However, the geometry of the medium (juxtaposition and shapes of blocks in usually too complex for such computation. This is why, in a previous paper, we got around this problem by reasoning on the bases of averages (clips, azimuths, fissure spacing, and thot led us to an order of magnitude of the volumes. Yet a mean volume cannot be used to explain

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

    International Nuclear Information System (INIS)

    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

  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. Calculation of Intercepted Volume of Sewer Overflows: a Model for Control of Nonpoint Pollution Sources in Urban Areas

    Institute of Scientific and Technical Information of China (English)

    S. C. Choi; D. I. Jung; C. H. Won; J. M. Rim

    2006-01-01

    The authors discovered large differences in the characteristics of overflows by the calculation of 1) intercepting volume of overflows for sewer systems using SWMM model which takes into consideration the runoff and pollutants from rainfalls and 2) the intercepted volume in the total flow at an investigation site. The intercepting rate at the investigation point of CSOs showed higher values than the SSDs. Based on the modeling of the receiving water quality after calculating the intercepting amount of overflows by considering the characteristics of outflows for a proper management of the overflow of sewer systems with rainfalls, it is clear that the BOD decreased by 82.9%-94.0% for the discharge after intercepting a specific amount of flows compared to the discharge from unprocessed overflows.

  3. 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

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

    International Nuclear Information System (INIS)

    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

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. 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

    Science.gov (United States)

    Bhattacharjee, Suraka; Chaudhury, Ranjan

    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.

  10. The calculation of accurate 17O hyperfine coupling constants in the hydroxyl radical: A difficult problem for current quantum chemical methods

    Science.gov (United States)

    Wetmore, Stacey D.; Eriksson, Leif A.; Boyd, Russell J.

    1998-12-01

    The hyperfine coupling constants (HFCCs) in the hydroxyl radical are investigated through comparison of results obtained from a variety of quantum chemical methods. The couplings obtained from the multi-reference configuration interaction (MRCI) wave function, built upon the restricted open-shell Hartree-Fock (ROHF) reference determinant, are investigated in terms of the basis set, the configuration selection energy threshold, and the size of the reference space. Overall results which converge to the experimental couplings are obtained for hydrogen, but not for oxygen. In particular, the MRCI method shows no improvement over density functional theory (the B3LYP functional), for the calculation of Aiso(17O). On the other hand, results in excellent agreement with experiment are obtained through the use of the quadratic configuration interaction (QCISD) method based on the unrestricted HF (UHF) reference determinant with the identical basis sets. Examination of UHF and ROHF based coupled-cluster methods, CCSD and CCSD(T), indicates that once a high enough level of electron correlation is included, the oxygen HFCC is independent of the form of the reference determinant. Unlike the ROHF-CCSD method, which yields reliable results once the effects of triple excitations have been taken into account, the MRCI wave function cannot easily be adjusted to account for the inadequacies of the ROHF reference determinant in order to accurately predict 17O HFCCs.

  11. [Cotyla quid? On the early history of late medieval medical volume calculations].

    Science.gov (United States)

    Bergmann, Axel

    2005-01-01

    As can be made evident chiefly by their comparative numerical examination, the Egyptian pyramids (the step pyramids being excluded for the present purpose) have been, from the beginning up to the Egyptian fashion in early Imperial Rome, designed and built with the additional intention of physically manifesting a volume of pi x 10k x (average value) 0.96824 cm3, where k is either a positive integer or zero, and where pi is a short product, following very restrictive formation rules which to some extent are traceable in the papyrus Rhind, of prime numbers. Conceptually (but not really as to the Hin at least) this establishes the capacity units 1 [2]Heqat = 9682.4 cm3 and 1 Hin = 484.12 cm3 already for the Old Kingdom. It is shown further that the Attic Medimnos as introduced in the course of finishing Solon's reforms is identical with the Egyptian volume system's standard unification: pisigma = 2 x 3 x 5 x 7 x 11 x 23, and k = 0, so that 1 Medimnos = about 51443 cm3. Accordingly and by means of some adjacent considerations a Kotyle / Cotyla of 269 cm3 +/- 1 cm3 is established for the Hellenistic, early Arabic, and Medieval Latin medicine. PMID:16425844

  12. 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.

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

    International Nuclear Information System (INIS)

    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

  14. 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.

  15. Calculated neutron KERMA factors based on the LLNL ENDL data file. Volume 27

    International Nuclear Information System (INIS)

    Neutron KERMA factors calculated from the LLNL ENDL data file are tabulated for 15 composite materials and for the isotopes or elements in the ENDL file from Z = 1 to Z = 29. The incident neutron energies range from 1.882 x 10-5 to 20. MeV for the composite materials and from 1.30 x 10-9 to 20. MeV for the isotopes and elements

  16. A finite volume method for calculating transonic potential flow around wings from the pressure minimum integral

    Science.gov (United States)

    Eberle, A.

    1978-01-01

    Analysis of the pressure minimum integral in the calculation of three-dimensional potential flow around wings makes it possible to use non-rectangular mesh networks for distributing the three-dimensional potential into discrete points. The method is comparatively easily expanded to the treatment of realistic airplane configurations. Shock-pressure affected pressure distributions on any wings are determined with accuracy using this method.

  17. 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.

  18. HVDC-AC system interaction from AC harmonics. Volume 1. Harmonic impedance calculations. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Breuer, G D; Chow, J H; Lindh, C B; Miller, N W; Numrich, F H; Price, W W; Turner, A E; Whitney, R R

    1982-09-01

    Improved methods are needed to characterize ac system harmonic behavior for ac filter design for HVDC systems. The purpose of this General Electric Company RP1138 research is to evaluate the present filter design practice and to investigate methods for calculating system harmonic impedances. An overview of ac filter design for HVDC systems and a survey of literature related to filter design have been performed. Two methods for calculating system harmonic impedances have been investigated. In the measurement method, an instrumentation system for measuring system voltage and current has been assembled. Different schemes of using the measurements to calculate system harmonic impedances have been studied. In the analytical method, a procedure to include various operating conditions has been proposed. Computer programs for both methods have been prepared, and the results of the measurement and analytical methods analyzed. A conclusion of the project is that the measurement and analytical methods both provided reasonable results. There are correlations between the measured and analytical results for most harmonics, although there are discrepancies between the assumptions used in the two methods. A sensitivity approach has been proposed to further correlate the results. From the results of the analysis, it is recommended that both methods should be tested further. For the measurement method, more testing should be done to cover different system operating conditions. In the analytical method, more detailed models for representing system components should be studied. In addition, alternative statistical and sensitivity approaches should be attempted.

  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. A FORTRAN code for the calculation of probe volume geometry changes in a laser anemometry system caused by window refraction

    Science.gov (United States)

    Owen, Albert K.

    1987-01-01

    A computer code was written which utilizes ray tracing techniques to predict the changes in position and geometry of a laser Doppler velocimeter probe volume resulting from refraction effects. The code predicts the position change, changes in beam crossing angle, and the amount of uncrossing that occur when the beams traverse a region with a changed index of refraction, such as a glass window. The code calculates the changes for flat plate, cylinder, general axisymmetric and general surface windows and is currently operational on a VAX 8600 computer system.

  1. 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.

  2. Weather data for simplified energy calculation methods. Volume II. Middle United States: TRY 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 22 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.

  3. Nonlinear dynamic fluid-structure interaction calculations with coupled finite element and finite volume programs

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, M.W.; Kashiwa, B.A.; Meier, R.W. [Los Alamos National Lab., NM (United States); Bishop, S. [US Army Night Vision and Electronic Sensors Directorate, Fort Belvoir, VA (United States)

    1994-08-01

    Two- and three-dimensional fluid-structure interaction computer programs for the simulation of nonlinear dynamics were developed and applied to a number of problems. The programs were created by coupling Arbitrary Lagrangian-Eulerian finite volume fluid dynamics programs with strictly Lagrangian finite element structural dynamics programs. The resulting coupled programs can use either fully explicit or implicit time integration. The implicit time integration is accomplished by iterations of the fluid dynamics pressure solver and the structural dynamics system solver. The coupled programs have been used to solve problems involving incompressible fluids, membrane and shell elements, compressible multiphase flows, explosions in both air and water, and large displacements. In this paper, we present the approach used for the coupling and describe test problems that verify the two-dimensional programs against an experiment and an analytical linear problem. The experiment involves an explosion underwater near an instrumented thin steel plate. The analytical linear problem is the vibration of an infinite cylinder surrounded by an incompressible fluid to a given radius.

  4. 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...... of photoemission spectra from W single crystals. The nondirect as well as the direct models for bulk photoemission processes are investigated. The emission from the three low-index surfaces (100), (110), and (111) exhibits strong dependence on direction and acceptance cone. According to the present band model.......e., emission of those electrons which are excited in a single-step process from initial states near the surface to final states outside the crystal. The electrons that are emitted from the surface in directions perpendicular to the crystal planes carry information on the one-dimensional surface density...

  5. 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.

  6. Effects of Restricted Rotations and Dynamic Averaging on the Calculated Isotropic Hyperfine Coupling Constants of the bis-Dimethyl and bis-Di(trifluoromethyl) Nitroxide Radicals

    Science.gov (United States)

    Mattar, Saba M.; Sanford, Jacob

    2009-09-01

    The rotational effects of the CH3 and CF3 groups on the electronic structure and nuclear hyperfine coupling constants (HFCCs) in dimethylnitroxide (DMNO·) and ditrifluoro-methynitroxide (TFMNO·) are investigated using the UB1LYP hybrid density functional method. The CH3 and CF3 HFCCs of both radicals are found to obey the McConnell relation during rotation. The two CH3 groups of the DMNO· do not gear with each other, but the rotation of the first CH3 group induces only a small rocking effect (˜7°) in the second group. However, in TFMNO·, the fluorine atoms from different CF3 groups are close enough so that the steric repulsion between them causes them to act as two interlocked gears, where one drives the other. Therefore, both CF3 groups undergo full rotation. To the best of our knowledge, this is only the second example of "gearing" to be studied. Stabilization due to hyperconjugation is also a major factor that affects the magnitudes of the HFCCs of the CF3 groups during rotational averaging. Stable configurations at specific CF3 group orientations have a large overlap with the NO π-electron cloud because the lobes of the hybridized pσ(F2), pσ(F3), pσ(F5), and pσ(F6) orbitals along the F-C bonds have cylindrical symmetry and are of the correct phases for hyperconjugation to occur. The calculated TFMNO· C1-N and C2-N bond orders range from 0.91 to 0.95 as the CF3 groups are rotated. Therefore, the C-N bonds are essentially single bonds. This, in conjunction with the low rotational energy barrier of approximately 50 cm-1, explains why the EPR intensities of the 19F hyperfine splittings, in the range of 163-297 K, are characteristic of six equivalent rapidly rotating fluorine atoms. The TFMNO· out-of-plane NO vibrations induce additional s character at the 14N nucleus. This increases the magnitude of the 14N HFCC and decreases the 19F HFCCs. As the temperature increases and because of mixing of the first excited out-of-plane vibrational state, the NO

  7. Analytical continuation in coupling constant method; application to the calculation of resonance energies and widths for organic molecules: Glycine, alanine and valine and dimer of formic acid

    Science.gov (United States)

    Papp, P.; Matejčík, Š.; Mach, P.; Urban, J.; Paidarová, I.; Horáček, J.

    2013-06-01

    The method of analytic continuation in the coupling constant (ACCC) in combination with use of the statistical Padé approximation is applied to the determination of resonance energy and width of some amino acids and formic acid dimer. Standard quantum chemistry codes provide accurate data which can be used for analytic continuation in the coupling constant to obtain the resonance energy and width of organic molecules with a good accuracy. The obtained results are compared with the existing experimental ones.

  8. First-principles study of the elastic constants and optical properties of uranium metal

    Institute of Scientific and Technical Information of China (English)

    Chen Qiu-Yun; Tan Shi-Yong; Lai Xin-Chun; Chen Jun

    2012-01-01

    We perform first-principles calculations of the lattice constants,elastic constants,and optical properties for alphaand gamma-uranium based on the ultra-soft pseudopotential method.Lattice constants and equilibrium atomic volume are consistent pretty well with the experimental results.Some difference exists between our calculated elastic constants and the experimental data.Based on the satisfactory ground state electronic structure calculations,the optical conductivity,dielectric function,refractive index,and extinction coefficients are also obtained.These calculated optical properties are compared with our results and other published experimental data.

  9. Calculation of area-averaged vertical profiles of the horizontal wind velocity from volume-imaging lidar data

    Science.gov (United States)

    Schols, J. L.; Eloranta, E. W.

    1992-01-01

    Area-averaged horizontal wind measurements are derived from the motion of spatial inhomogeneities in aerosol backscattering observed with a volume-imaging lidar. Spatial averaging provides high precision, reducing sample variations of wind measurements well below the level of turbulent fluctuations, even under conditions of very light mean winds and strong convection or under the difficult conditions represented by roll convection. Wind velocities are measured using the two-dimensional spatial cross correlation computed between successive horizontal plane maps of aerosol backscattering, assembled from three-dimensional lidar scans. Prior to calculation of the correlation function, three crucial steps are performed: (1) the scans are corrected for image distortion by the wind during a finite scan time; (2) a temporal high pass median filtering is applied to eliminate structures that do not move with the wind; and (3) a histogram equalization is employed to reduce biases to the brightest features.

  10. 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. PMID:27124576

  11. Indirect spin-spin coupling constants in CH{sub 4}, SiH{sub 4} and GeH{sub 4} - Gas-phase NMR experiment and ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Antusek, Andrej [Slovak University of Technology in Bratislava, Faculty of Materials Science and Technology in Trnava, Paulinska 16, 917 24 Trnava (Slovakia); Department of Chemistry, Nicolaus Copernicus University, Gagarina 7, PL 87-100 Torun (Poland); Kedziera, Dariusz [Department of Chemistry, Nicolaus Copernicus University, Gagarina 7, PL 87-100 Torun (Poland); Jackowski, Karol [Laboratory of NMR Spectroscopy, Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw (Poland); Jaszunski, Michal [Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44, 01224 Warsaw (Poland)], E-mail: michaljz@icho.edu.pl; Makulski, Wlodzimierz [Laboratory of NMR Spectroscopy, Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw (Poland)

    2008-09-03

    New values of the indirect spin-spin coupling constants in CH{sub 4}, SiH{sub 4} and GeH{sub 4}, derived from experiment and ab initio calculations, are reported. The new experimental values of {sup 1}J(CH), {sup 1}J(SiH) and {sup 1}J(GeH) are obtained from gas-phase NMR spectra. The dependence of the measured one-bond coupling constants on the density is analysed and the results are extrapolated to zero-density point to eliminate the effects due to intermolecular forces. In the calculation of the coupling constants, at the nonrelativistic level coupled cluster singles and doubles (CCSD) perturbation theory is used and the basis set convergence of the results is discussed. The relativistic corrections are estimated from Dirac-Hartree-Fock (DHF) calculations. The final theoretical values are obtained adding available estimates of the vibrational and temperature corrections. The agreement of the calculated and experimental {sup 1}J(XH), X = C, Si, Ge, constants is very satisfying, the differences are approximately 1-3%.

  12. Experimental and numerical study on soot formation and oxidation by using diesel fuel in constant volume chamber with various ambient oxygen concentrations

    International Nuclear Information System (INIS)

    Highlights: • Improved soot model reproduced soot formation/oxidation at various O2 concentrations. • C2H2, precursor and soot mass increased with decreasing O2 but decreased at 12% O2. • The total area of soot reaction zone shrank remarkably at 12% oxygen. • Higher soot was from stronger formation at 18% O2 but from weaker oxidation at 15%. • The suppressed soot inception at lower O2 led to the retarded and reduced soot mass. - Abstract: The study on effects of exhaust gas recirculation (EGR) on soot behavior is very important to reduce soot emissions and control the low temperature combustion process in diesel engines. In this work, high time-resolved quantitative soot measurements were experimented on a constant volume chamber by using European low-sulfur diesel fuel at three ambient oxygen concentrations (21%, 18%, 15%). Meanwhile, an improved semi-empirical soot model was coupled into computational fluid dynamics (KIVA-3V Release 2) code for in-depth understanding the soot formation and oxidation processes. Results demonstrated that numerical results of the improved semi-empirical soot model showed good agreement with experimental data in the whole processes of soot formation/oxidation and soot distribution under different oxygen concentrations. The mass concentration of acetylene, soot precursor species and soot mass initially increased with decreasing ambient oxygen concentrations from 21% to 15% and then began to decrease at 12% oxygen, while OH radicals reduced monotonically from 21% oxygen to 12%. At 12% oxygen, the concentrations of local rich sooty zone, acetylene and soot precursor species were as high as those under higher oxygen concentrations, but the total area of soot zone shrank remarkably at 12% oxygen. Compared to 21% ambient oxygen concentration, both soot formation and oxidation rates were increased under 18% oxygen, while the higher soot mass under 18% oxygen was the result of stronger soot formation mechanism. At 15% oxygen, both

  13. CALCULATION OF DELTA I = 3/2 KAON WEAK MATRIX ELEMENTS INCLUDING TWO-PION INTERACTION EFFECTS IN FINITE VOLUME.

    Energy Technology Data Exchange (ETDEWEB)

    YAMAZAKI, T.

    2006-07-23

    We calculate {Delta}I = 3/2 kaon decay matrix elements using domain wall fermions and the DBW2 gauge action at one coarse lattice spacing corresponding to a{sup -1} = 1.3 GeV. We employ the Lellouch and Luescher formula and its extension for non-zero total momentum to extract the infinite volume, center-of-mass frame decay amplitudes. The decay amplitudes obtained from the methods correspond to those from the indirect method with full order chiral perturbation theory. We confirm that the result is consistent with the previous result calculated with H-parity (anti-periodic) boundary condition by investigating the relative momentum dependence. We evaluate the decay amplitude ReA{sub 2} at the physical point by a chiral extrapolation with a polynomial function of m{sub {pi}}{sup 2} and the relative momentum as well as the {Delta}I = 3/2 electroweak penguin contributions to {var_epsilon}{prime}/{var_epsilon}. We found that the result of ReA{sub 2} reasonably agrees with the experiment.

  14. Fundamental Constants

    CERN Document Server

    Wilczek, Frank

    2007-01-01

    The notion of ``fundamental constant'' is heavily theory-laden. A natural, fairly precise formulation is possible in the context of the standard model (here defined to include gravity). Some fundamental constants have profound geometric meaning. The ordinary gravitational constant parameterizes the stiffness, or resistance to curvature, of space-time. The cosmological term parameterizes space-time's resistance to expansion -- which may be, and apparently is at present, a {\\it negative} resistance, i.e. a tendency toward expansion. The three gauge couplings of the strong, electromagnetic, and weak interactions parameterize resistance to curvature in internal spaces. The remaining fundamental couplings, of which there are a few dozen, supply an ungainly accommodation of inertia. The multiplicity and variety of fundamental constants are esthetic and conceptual shortcomings in our present understanding of foundational physics. I discuss some ideas for improving the situation. I then briefly discuss additional con...

  15. Varying Constants

    CERN Document Server

    Damour, Thibault Marie Alban Guillaume

    2003-01-01

    We review some string-inspired theoretical models which incorporate a correlated spacetime variation of coupling constants while remaining naturally compatible both with phenomenological constraints coming from geochemical data (Oklo; Rhenium decay) and with present equivalence principle tests. Barring unnatural fine-tunings of parameters, a variation of the fine-structure constant as large as that recently ``observed'' by Webb et al. in quasar absorption spectra appears to be incompatible with these phenomenological constraints. Independently of any model, it is emphasized that the best experimental probe of varying constants are high-precision tests of the universality of free fall, such as MICROSCOPE and STEP. Recent claims by Bekenstein that fine-structure-constant variability does not imply detectable violations of the equivalence principle are shown to be untenable.

  16. Varying Constants

    CERN Document Server

    Barrow, J D

    2005-01-01

    We review properties of theories for the variation of the gravitation and fine structure 'constants'. We highlight some general features of the cosmological models that exist in these theories with reference to recent quasar data that are consistent with time-variation in the fine structure 'constant' since a redshift of 3.5. The behaviour of a simple class of varying-alpha cosmologies is outlined in the light of all the observational constraints.

  17. CT- and MRI-based volumetry of resected liver specimen: Comparison to intraoperative volume and weight measurements and calculation of conversion factors

    International Nuclear Information System (INIS)

    Objective: To compare virtual volume to intraoperative volume and weight measurements of resected liver specimen and calculate appropriate conversion factors to reach better correlation. Methods: Preoperative (CT-group, n = 30; MRI-group, n = 30) and postoperative MRI (n = 60) imaging was performed in 60 patients undergoing partial liver resection. Intraoperative volume and weight of the resected liver specimen was measured. Virtual volume measurements were performed by two readers (R1,R2) using dedicated software. Conversion factors were calculated. Results: Mean intraoperative resection weight/volume: CT: 855 g/852 mL; MRI: 872 g/860 mL. Virtual resection volume: CT: 960 mL(R1), 982 mL(R2); MRI: 1112 mL(R1), 1115 mL(R2). Strong positive correlation for both readers between intraoperative and virtual measurements, mean of both readers: CT: R = 0.88(volume), R = 0.89(weight); MRI: R = 0.95(volume), R = 0.92(weight). Conversion factors: 0.85(CT), 0.78(MRI). Conclusion: CT- or MRI-based volumetry of resected liver specimen is accurate and recommended for preoperative planning. A conversion of the result is necessary to improve intraoperative and virtual measurement correlation. We found 0.85 for CT- and 0.78 for MRI-based volumetry the most appropriate conversion factors.

  18. FEDGROUP-3 - a program system for processing evaluated nuclear data in ENDF/B, KEDAK or UKNDL format to constants to be used in reactor physics calculation

    International Nuclear Information System (INIS)

    A new, completely rewritten version of the FEDGROUP program system is presented in this report. The formulae and the algorithm underlying the calculation are revised. The FEDGROUP-3 is able to calculate group averaged infinite diluted and screened cross-sections, elastic and inelastic transfer matrices, point-wise cross-section sets from evaluated data in ENDF/B, KEDAK and UKNDL format. The program system is written mainly in FORTRAN-IV of IBM-OS but it can be adapted relatively easily to other type of computers. (author)

  19. Spent fuel assembly hardware: Characterization and 10 CFR 61 classification for waste disposal: Volume 1, Activation measurements and comparison with calculations for spent fuel assembly hardware

    Energy Technology Data Exchange (ETDEWEB)

    Luksic, A.

    1989-06-01

    Consolidation of spent fuel is under active consideration as the US Department of Energy plans to dispose of spent fuel. During consolidation, the fuel pins are removed from an intact fuel assembly and repackaged into a more compact configuration. After repackaging, approximately 30 kg of residual spent fuel assembly hardware per assembly remains that is also radioactive and requires disposal. Understanding the nature of this secondary waste stream is critical to designing a system that will properly handle, package, store, and dispose of the waste. This report presents a methodology for estimating the radionuclide inventory in irradiated spent fuel hardware. Ratios are developed that allow the use of ORIGEN2 computer code calculations to be applied to regions that are outside the fueled region. The ratios are based on the analysis of samples of irradiated hardware from spent fuel assemblies. The results of this research are presented in three volumes. In Volume 1, the development of scaling factors that can be used with ORIGEN2 calculations to estimate activation of spent fuel assembly hardware is documented. The results from laboratory analysis of irradiated spent-fuel hardware samples are also presented in Volume 1. In Volumes 2 and 3, the calculated flux profiles of spent nuclear fuel assemblies are presented for pressurized water reactors and boiling water reactors, respectively. The results presented in Volumes 2 and 3 were used to develop the scaling factors documented in Volume 1. 5 refs., 4 figs., 21 tabs.

  20. Spent fuel assembly hardware: Characterization and 10 CFR 61 classification for waste disposal: Volume 2, Calculated activity profiles of spent nuclear fuel assembly hardware for pressurized water reactors

    Energy Technology Data Exchange (ETDEWEB)

    Short, S.M.; Luksic, A.T.; Lotz, T.L.; Schutz, M.E.

    1989-06-01

    Consolidation of spent fuel is under active consideration as the US Department of Energy plans to dispose of spent fuel as required by the Nuclear Waste Policy Act of 1982. During consolidation, the fuel pins are removed from an intact fuel assembly and repackaged into a more compact configuration. After repackaging, approximately 30 kg of residual spent fuel assembly hardware per assembly remains that is also radioactive and requires disposal. Understanding the nature of this secondary waste stream is critical to designing a system that will properly handle, package, store, and dispose of the waste. This report present a methodology for estimating the radionuclide inventory in irradiated spent fuel hardware. Ratios are developed that allow the use of ORIGEN2 computer code calculations to be applied to regions that are outside the fueled region. The ratios are based on the analysis of samples of irradiated hardware from spent fuel assemblies. The results of this research are presented in three volumes. In Volume 1, the development of scaling factors that can be used with ORIGEN2 calculations to estimate activation of spent fuel assembly hardware is documented. The results from Laboratory analysis of irradiated spent-fuel hardware samples are also presented in Volume 1. In Volumes 2 and 3, the calculated flux profiles of spent nuclear fuel assemblies are presented for pressurized water reactors and boiling water reactors, respectively. The results presented in Volumes 2 and 3 were used to develop the scaling factors documented in Volume 1.

  1. Spent fuel assembly hardware: Characterization and 10 CFR 61 classification for waste disposal: Volume 3, Calculated activity profiles of spent nuclear fuel assembly hardware for boiling water reactors

    Energy Technology Data Exchange (ETDEWEB)

    Short, S.M.; Luksic, A.T.; Schutz, M.E.

    1989-06-01

    Consolidation of spent fuel is under active consideration as the US Department of Energy plans to dispose of spent fuel as required by the Nuclear Waste Policy Act of 1982. During consolidation, the fuel pins are removed from an intact fuel assembly and repackaged into a more compact configuration. After repackaging, approximately 30 kg of residual spent fuel assembly hardware per assembly that is also radioactive and required disposal. Understanding the nature of this secondary waste stream is critical to designing a system that will properly handle, package, store, and dispose of the waste. This report presents a methodology for estimating the radionuclide inventory in irradiated spent fuel hardware. Ratios are developed that allow the use of ORIGEN2 computer code calculations to be applied to regions that are outside the fueled region. The ratios are based on the analysis of samples of irradiated hardware from spent fuel assemblies. The results of this research are presented in three volumes. In Volume 1, the development of scaling factors that can be used with ORIGEN2 calculations to estimate activation of spent fuel assembly hardware is documented. The results from laboratory analysis of irradiated spent-fuel hardware samples are also presented in Volume 1. In Volume 2 and 3, the calculated flux profiles of spent nuclear fuel assemblies are presented for pressurized water reactors and boiling water reactors, respectively. The results presented in Volumes 2 and 3 were used to develop the scaling factors documented in Volume 1.

  2. Cell Volume Effect on the Ferroelectric Stability of Perovskite Oxides PbTiO3 and BaTiO3 from First Principle Calculation

    Institute of Scientific and Technical Information of China (English)

    王渊旭; 王春雷

    2003-01-01

    Electronic structure of ferroelectric PbTiO3 and BaTiO3 is calculated by the full potential linearized augmented plane wave method. The total energy as a function of the displacement of Ti-cation is obtained for PbTiO3 and BaTiO3 at different cell volumes. At experimental cell volume, Ti-displacement lowers the total energy and the ferroelectricity is stable. When the cell volume is reduced to 90%, total energy is increased with Ti-displacement and ferroelectricity will disappear. The cell volume effect is also confirmed by comparison of the density of states of Ti and O at different cell volumes.

  3. 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.

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

    International Nuclear Information System (INIS)

    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

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

    Directory of Open Access Journals (Sweden)

    Lazarev V.

    2016-02-01

    Full Text Available 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.

  6. Utility of Quantitative 99mTc-MAA SPECT/CT for 90yttrium-Labelled Microsphere Treatment Planning: Calculating Vascularized Hepatic Volume and Dosimetric Approach

    Directory of Open Access Journals (Sweden)

    Etienne Garin

    2011-01-01

    Full Text Available Objectives. The aim of this study was to assess the effectiveness of SPECT/CT for volume measurements and to report a case illustrating the major impact of SPECT/CT in calculating the vascularized liver volume and dosimetry prior to injecting radiolabelled yttrium-90 microspheres (Therasphere. Materials and Methods. This was a phantom study, involving volume measurements carried out by two operators using SPECT and SPECT/CT images. The percentage of error for each method was calculated, and interobserver reproducibility was evaluated. A treatment using Therasphere was planned in a patient with three hepatic arteries, and the quantitative analysis of SPECT/CT for this patient is provided. Results. SPECT/CT volume measurements proved to be accurate (mean error <6% for volumes ≥16 cm3 and reproductive (interobserver agreement = 0.9. In the case report, 99mTc-MAA SPECT/CT identified a large liver volume, not previously identified with angiography, which was shown to be vascularized after selective MAA injection into an arterial branch, resulting in a large modification in the activity of Therasphere used. Conclusions. MAA SPECT/CT is accurate for vascularized liver volume measurements, providing a valuable contribution to the therapeutic planning of patients with complex hepatic vascularization.

  7. Comparison of quasi-classical, transition state theory, and quantum calculations of rate constants and activation energies for the collinear reaction X + F2 → XF + F (X = Mu, H, D, T)

    International Nuclear Information System (INIS)

    Accurate quantum total reaction probabilities for the collinear reaction X + F2 (upsilon = 0.1) → XF + F (X = Mu, H, D, T) have been used to calculate collinear rate constants and activation energies. Comparison is made with collinear quasi-classical trajectory calculations and transition state theory assuming classical motion along a separable reaction coordinate and vibrational adiabaticity. Considerable differences between the quantum and quasi-classical and transition state theory results are found only for the Mu reaction at low temperatures. 5 figures, 35 references, 6 tables

  8. Next-to-next-to-leading order calculation of the strong coupling constant by using moments of event-shape variables

    Indian Academy of Sciences (India)

    Samira Shoeibi Mohsenabadi; Mohammad Ebrahim Zomorrodian

    2013-11-01

    The next-to-next-to-leading order (NNLO) quantum chromodynamics (QCD) correction to the first three moments of the four event-shape variables in electron–positron annihilation, the thrust, heavy jet mass, wide, and total jet broadening, is computed. It is observed that the NNLO correction gives a better agreement between the theory and the experimental data. Also, by using the above observables, the strong coupling constant () is determined and how much its value is affected by the NNLO correction is demonstrated. By combining the results for all variables at different centre-of-mass energies $(M_{Z^{°}})$ = 0.1248 ± 0.0009 $({\\text{exp.}})_{-0.0144}^{+0.0283} ({\\text{theo.}})$ is obtained.

  9. Volume of pulmonary lobes and segments in chronic obstructive pulmonary diseases calculated using newly developed three-dimensional software

    International Nuclear Information System (INIS)

    The aim of this study was to measure the volume of each pulmonary segment by volumetric computed tomography (CT) data using a newly developed three-dimensional software application and to identify the differences between those with chronic obstructive pulmonary disease (COPD) and controls. CT scans of 11 COPD patients and 16 controls were included. The volume of each pulmonary segment was measured by each of two operators to evaluate the reproducibility of the software. This measured volume was then divided by the total lung volume to revise individual variations. Volumes of the right (rt) S2, rt S5, left (lt) S1+S2, lt S3, and lt S5 were significantly larger in COPD patients than in controls (P<0.05). Regarding the ratio of the volume of each pulmonary segment per total lung volume, the areas of rt S2 and lt S1+S2 were significantly larger in COPD patients than in controls (P<0.05), whereas lt S10 was significantly smaller in COPD patients than in controls (P<0.05). We measured the volume of each pulmonary segment based on volumetric CT data using this software. In addition, we demonstrated that the upper lung volume of COPD subjects was larger than that of controls, whereas the lower lung volumes were almost the same. (author)

  10. Calculating alveolar capillary conductance and pulmonary capillary blood volume: comparing the multiple- and single-inspired oxygen tension methods.

    Science.gov (United States)

    Ceridon, Maile L; Beck, Kenneth C; Olson, Thomas P; Bilezikian, Jordan A; Johnson, Bruce D

    2010-09-01

    Key elements for determining alveolar-capillary membrane conductance (Dm) and pulmonary capillary blood volume (Vc) from the lung diffusing capacity (Dl) for carbon monoxide (DlCO) or for nitric oxide (DlNO) are the reaction rate of carbon monoxide with hemoglobin (thetaCO) and the DmCO/DlNO relationship (alpha-ratio). Although a range of values have been reported, currently there is no consensus regarding these parameters. The study purpose was to define optimal parameters (thetaCO, alpha-ratio) that would experimentally substantiate calculations of Dm and Vc from the single-inspired O2 tension [inspired fraction of O2 (FiO2)] method relative to the multiple-FiO2 method. Eight healthy men were studied at rest and during moderate exercise (80-W cycle). Dm and Vc were determined by the multiple-FiO2 and single-FiO2 methods (rebreathe technique) and were tabulated by applying previously reported thetaCO equations (both methods) and by varying the alpha-ratio (single-FiO2 method) from 1.90 to 2.50. Values were then compared between methods throughout the examined alpha-ratios. Dm and Vc were critically dependent on the applied thetaCO equation. For the multiple-FiO2 method, Dm was highly variable between thetaCO equations (rest and exercise); the range of Vc was less widespread. For the single-FiO2 method, the thetaCO equation by Reeves and Park (1992) combined with an alpha-ratio between 2.08 and 2.26 gave values for Dm and Vc that most closely matched those from the multiple-FiO2 method and were also physiologically plausible compared with predicted values. We conclude that the parameters used to calculate Dm and Vc values from the single-FiO2 method (using DlCO and DlNO) can significantly influence results and should be evaluated within individual laboratories to obtain optimal values.

  11. 球积术案例及其分析%Cases and analysis of calculating the volume of the sphere

    Institute of Scientific and Technical Information of China (English)

    曲安京; 冯振举; 赵继伟

    2011-01-01

    目的 以数学史上的4种球积术为例,说明数学史在中学数学教学中应用的意义.方法 案例研究和比较分析.结果 4种历史上的球积术方法体现出两种数学传统下数学家对相同问题的不同处理,对其在数学课堂的适当应用既可以更好地增进学生对具体知识的理解,也可以提高学生的数学修养.结论 开发数学史的教学案例,并将其有效地应用于数学教学中,对于数学教育目标的实现具有重要帮助.%Aim To illustrate the effect and significance of the application of the history of mathematics to mathematical class of middle schools. Methods Case study and comparative analysis. Results The 4 historical methods of calculating the volume of the sphere indicate mathematician's different treatment to a same problem under two different mathematical traditions. The proper application of these methods to mathematical class will not only strengthen students' understanding of concrete knowledge, but also improve their mathematical accomplishment.Conclusion It will be greatly helpful for realizing the target of mathematical education that HPM cases are constructed and applied effectively to mathematical class.

  12. Synthesis and Dielectric Constant Calculation of Fluorinated Polyimide Block Copolymer%含氟嵌段聚酰亚胺共聚物的制备及其介电常数计算

    Institute of Scientific and Technical Information of China (English)

    谭麟; 刘述梅; 赵建青

    2012-01-01

    A series of fluorinated polyimide were synthesized by in situ sequence feeding chemical polymerization. FT-IR, 1H-NMR and GPC were used to identify the synthesized copolymers and the results illustrate that the synthesized fluorinated polyimides are block copolymers. Lorenz and Vogel theories are usually used for calculating the dielectric constant of homopolymers, those dielectric constant calculation equations were modified through several steps in order to make them can be used to calculate the dielectric constants of block copolymers. After modification, those modified equations were used to calculate the dielectric constants of the synthesized fluorinated block copolymers, and the results show that the calculated dielectric constants of synthesized fluorinated polyimides are coincident with the measured values. It shows that the modified equations could be used in directing the design and synthesis of low dielectric polyimide block copolymers.%通过顺序加料法制备了一系列不同氟含量聚酰亚胺,FT-IR、1H-NMR及GPC测试结果表明,所制备的聚合物为嵌段共聚物.Lorenz和Vogel介电常数计算公式主要用于均聚物介电常数的计算,通过对上述两计算公式进行相应变形处理,使之适用于计算嵌段共聚物的理论介电常数,并将其运用到所合成的嵌段型含氟聚酰亚胺模板聚合物的介电常数计算中,计算结果显示,Lorenz和Vogel介电常数变形公式计算所得的模板聚合物的介电常数与聚合物介电常数实测值具有较好的吻合性,能够有效指导低介电常数嵌段聚酰亚胺的设计与合成.

  13. Impacts of equations of state (EOS) and impurities on the volume calculation of CO2 mixtures in the applications of CO2 capture and storage (CCS) processes

    International Nuclear Information System (INIS)

    Volume property is the necessary thermodynamic property in the design and operation of the CO2 capture and storage system (CCS). Because of their simple structures, cubic equations of state (EOS) are preferable to be applied in predicting volumes for engineering applications. This paper evaluates the reliabilities of seven cubic EOS, including PR, PT, RK, SRK, MPR, MSRK and ISRK for predicting volumes of binary CO2 mixtures containing CH4, H2S, SO2, Ar and N2, based on the comparisons with the collected experimental data. Results show that for calculations on the volume properties of binary CO2 mixtures, PR and PT are generally superior to others for all of the studied mixtures. In addition, it was found that the binary interaction parameter has clear effects on the calculating accuracy of an EOS in the volume calculations of CO2 mixtures. In order to improve the accuracy, kij was calibrated for all of the EOS regarding the gas and liquid phases of all the studied binary CO2 mixtures, respectively.

  14. A Neurophysiological Approach for Evaluating Noise-Induced Sleep Disturbance: Calculating the Time Constant of the Dynamic Characteristics in the Brainstem

    Directory of Open Access Journals (Sweden)

    Junta Tagusari

    2016-03-01

    Full Text Available Chronic sleep disturbance induced by traffic noise is considered to cause environmental sleep disorder, which increases the risk of cardiovascular disease, stroke, diabetes and other stress-related diseases. However, noise indices for the evaluation of sleep disturbance are not based on the neurophysiological process of awakening regulated by the brainstem. In this study, through the neurophysiological approach, we attempted (1 to investigate the thresholds of awakening due to external stimuli in the brainstem; (2 to evaluate the dynamic characteristics in the brainstem and (3 to verify the validity of existing noise indices. Using the mathematical Phillips–Robinson model, we obtained thresholds of awakening in the brainstem for different durations of external stimuli. The analysis revealed that the brainstem seemed insensitive to short stimuli and that the response to external stimuli in the brainstem could be approximated by a first-order lag system with a time constant of 10–100 s. These results suggest that the brainstem did not integrate sound energy as external stimuli, but neuroelectrical signals from auditory nerve. To understand the awakening risk accumulated in the brainstem, we introduced a new concept of “awakening potential” instead of sound energy.

  15. Hemaka's constant

    CERN Document Server

    Sparavigna, Amelia Carolina

    2012-01-01

    As proposed in a previous paper, the decorations of ancient objects can provide some information on the approximate evaluations of constant {\\pi}, the ratio of circumference to diameter. Here we discuss some disks found in the tomb of Hemaka, the chancellor of a king of the First Dynasty of Egypt, about 3000 BC. The discussion is based on measurements of the dimensionless ratio of lengths.

  16. 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.

  17. Calculation of particle and quark masses solely using the fine structure constant alpha, the nucleon/electron mass ratio beta and the electron mass

    International Nuclear Information System (INIS)

    A surprisingly simple relationship for particle and quark masses is given as m = x*y*me. Thereby y = 1 and x = 1/α, β and β/α for a hypothetic mass m0, the nucleon and the Higgs boson. With y = 4/3 instead y = 1 one obtains the masses of the strange-, charm-, and top quark, with x = β/α and y = 2/π the Z boson and with the π-2 fold thereof the W boson. The aforementioned m0 is the building block for calculating, as integer multiples, all other meson- and baryon masses with better than 2 % accuracy.

  18. 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.)

  19. An Investigation into the Performance, Solution Strategies and Difficulties in Middle School Students' Calculation of the Volume of a Rectangular Prism

    Science.gov (United States)

    Tekin-Sitrava, Reyhan; Isiksal-Bostan, Mine

    2014-01-01

    This qualitative study examined middle school students' performance, solution strategies, difficulties and the underlying reasons for their difficulties in calculating the volume of a rectangular prism. The data was collected from 35 middle school students (6th, 7th and 8th grade students) enrolled in a private school in Istanbul, Turkey. The…

  20. 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.

  1. 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 PURPOSE: To evaluate the usefulness of dynamic susceptibility contrast (DSC enhanced perfusion MR imaging in predicting major genetic alterations in glioblastomas. MATERIALS AND METHODS: 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. RESULTS: 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. CONCLUSION: 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.

  2. 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.

  3. 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.

  4. Relationship between renal volume calculated by using multislice computed tomography and glomerular filtration rate calculated by using the Cockcroft-Gault and modification of diet in renal disease equations in living kidney donors.

    Science.gov (United States)

    Adibi, Atoosa; Mortazavi, Mojgan; Shayganfar, Azin; Kamal, Sima; Azad, Roya; Aalinezhad, Marzieh

    2016-01-01

    It is essential to ascertain the state of health and renal function of potential kidney donors before organ removal. In this regard, one of the primary steps is to estimate the donor's glomerular filtration rate (GFR). For this purpose, the modification of diet in renal disease (MDRD) and the Cockcroft-Gault (CG) formulas has been used. However, these two formulas produce different results and finding new techniques with greater accuracy is required. Measuring the renal volume from computed tomography (CT) scan may be a valuable index to assess the renal function. This study was conducted to investigate the correlation between renal volume and the GFR values in potential living kidney donors referred to the multislice imaging center at Alzahra Hospital during 2014. The study comprised 66 subjects whose GFR was calculated using the two aforementioned formulas. Their kidney volumes were measured by using 64-slice CT angiography and the correlation between renal volume and GFR values were analyzed using the Statistical Package for the Social Science software. There was no correlation between the volume of the left and right kidneys and the MDRD-based estimates of GFR (P = 0.772, r = 0.036, P = 0.251, r = 0.143, respectively). A direct linear correlation was found between the volume of the left and right kidneys and the CG-based GFR values (P = 0.001, r = 0.397, P kidney volume derived from multislice CT scan can help predict the GFR value in kidney donors with normal renal function. The limitations of our study include the small sample size and the medium resolution of 64-slice multislice scanners. Further studies with larger sample size and using higher resolution scanners are warranted to determine the accuracy of this method in potential kidney donors. PMID:27424682

  5. 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 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...

  6. 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.

  7. SU-E-T-634: Analysis of Volume Based GYN HDR Brachytherapy Plans for Dose Calculation to Organs At Risk(OAR)

    Energy Technology Data Exchange (ETDEWEB)

    Nair, M; Li, C; White, M; Davis, J [Joe Arrington Cancer Center, Lubbock, TX (United States)

    2014-06-15

    Purpose: We have analyzed the dose volume histogram of 140 CT based HDR brachytherapy plans and evaluated the dose received to OAR ; rectum, bladder and sigmoid colon based on recommendations from ICRU and Image guided brachytherapy working group for cervical cancer . Methods: Our treatment protocol consist of XRT to whole pelvis with 45 Gy at 1.8Gy/fraction followed by 30 Gy at 6 Gy per fraction by HDR brachytherapy in 2 weeks . The CT compatible tandem and ovoid applicators were used and stabilized with radio opaque packing material. The patient was stabilized using special re-locatable implant table and stirrups for reproducibility of the geometry during treatment. The CT scan images were taken at 3mm slice thickness and exported to the treatment planning computer. The OAR structures, bladder, rectum and sigmoid colon were outlined on the images along with the applicators. The prescription dose was targeted to A left and A right as defined in Manchester system and optimized on geometry . The dosimetry was compared on all plans using the parameter Ci.sec.cGy-1 . Using the Dose Volume Histogram (DVH) obtained from the plans the doses to rectum, sigmoid colon and bladder for ICRU defined points and 2cc volume were analyzed and reported. The following criteria were used for limiting the tolerance dose by volume (D2cc) were calculated. The rectum and sigmoid colon doses were limited to <75Gy. The bladder dose was limited to < 90Gy from both XRT and HDR brachytherapy. Results: The average total (XRT+HDRBT) BED values to prescription volume was 120 Gy. Dose 2cc to rectum was 70Gy +/− 17Gy, dose to 2cc bladder was 82+/−32 Gy. The average Ci.sec.cGy-1 calculated for the HDR plans was 6.99 +/− 0.5 Conclusion: The image based treatment planning enabled to evaluati volume based dose to critical structures for clinical interpretation.

  8. 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.

  9. Calculation of the Two-Dimensional Airflow in Facial regions and Nasal Cavity Using an Unstructured Finite Volume Solver

    DEFF Research Database (Denmark)

    Davidson, Lars; Nielsen, Peter V.

    In this short report we demonstrate the feasibility of using Computational Fluid Dynamics (CFD) for studying the flow in facial regions and nasal cavity. A two-dimensional unstructured finite volume flow solver is used. For modelling the turbulence we use a standard k - ε model....

  10. Determination of Constant-volume Combustion Energies for Complexes of RE(Et2dtc)3(phen) (RE=La,Pr,Nd,Sm)%RE(Et2dtc)3(phen)(RE=La,Pr,Nd,Sm)的恒容燃烧能测定

    Institute of Scientific and Technical Information of China (English)

    朱丽; 杨旭武; 陈三平; 高胜利; 史启祯

    2004-01-01

    Four ternary solid complexes were synthesized with sodium diethyldithiocarbamate (NaEt2dtc) (b), 1,10-phenanthroline (o-phen) (c) and hydrated lanthanide chlorides in absolute ethanol by an improved reported method. The complexes were identified as the general formula of RE(Et2dtc)3(phen) (RE=La, Pr, Nd, Sm) by chemical and elemental analyses. IR spectra of the complexes showed that the RE3+ was coordinated with sulfur atoms of NaEt2dtc and nitrogen atoms of o-phen. The constant-volume combustion energies of complexes, △cU,were determined by a precise rotating-bomb calorimeter at 298.15 K. The standard enthalpies of combustion,(△cH-m), and standard enthalpies of formation, (△fH-m), were calculated for these complexes, respectively.

  11. Predictive equations for total lung capacity and residual volume calculated from radiographs in a random sample of the Michigan population.

    OpenAIRE

    Kilburn, K H; Warshaw, R H; Thornton, J C; Thornton, K.; Miller, A

    1992-01-01

    BACKGROUND: Published predicted values for total lung capacity and residual volume are often based on a small number of subjects and derive from different populations from predicted spirometric values. Equations from the only two large studies gave smaller predicted values for total lung capacity than the smaller studies. A large number of subjects have been studied from a population which has already provided predicted values for spirometry and transfer factor for carbon monoxide. METHODS: T...

  12. 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

  13. Meson decay constants from Nf=2 clover fermions

    International Nuclear Information System (INIS)

    We present recent results for meson decay constants calculated on configurations with two flavours of O(a)-improved Wilson fermions. Non-perturbative renormalisation is applied and quark mass dependencies as well as finite volume and discretisation effects are investigated. In this work we also present the first computation of the coupling of the light vector mesons to the tensor current using dynamical fermions. (orig.)

  14. 基于时空变换恒定磁化的起始磁化曲线推算方法∗%A calculation metho d for initial magnetization curve under constant magnetization based on time-space transformation

    Institute of Scientific and Technical Information of China (English)

    邓东阁; 武新军

    2015-01-01

    It is of great significance to research on methods for obtaining the initial magnetization curve, the important magnetic property of ferromagnetic materials. In the existing methods, a time-varying magnetic field is adopted as the excitation field. To obtain the initial magnetization curve, magnetic field and induced magnetic flux density in the specimen have to be measured step-by-step as the excitation field changes, and this is inefficient. Thus, a calculation method for initial magnetization curve based on time-space transformation is proposed in this paper. In this method, an elongated rod or a circular ring is used as the specimen. A spatially varying magnetic field generated by constant magnetization is utilized as the excitation field. The strength of the excitation field changes with the spatial positions of the specimen. Under the action of the excitation field, the magnetic field strength within the specimen is calculated by means of the responding magnetic field strength on the surface of the specimen according to the continuity of the tangential magnetic field strength. While, based on the Gauss’ law for magnetism, the law of approach to saturation and the basic equation of magnetization curve in Rayleigh region, the induced magnetic flux density within the specimen can be calculated from the responding magnetic flux density on the surface of the specimen. After obtaining the magnetic field strength and magnetic flux density in the specimen, the initial magnetization curve can be obtained. To verify theoretically the correctness of the method, simulations are carried out with an elongated rod and a circular ring. In experiments, a spatially varying magnetic field generated by DC coils is applied on the specimen as the excitation field. The initial magnetization curve calculated from the magnetic field strength and magnetic flux density on the surface of the specimen is similar to the known initial magnetization curve. Experimental results also show

  15. 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.

  16. The magnetic lead field theorem in the quasi-static approximation and its use for magnetoencephalography forward calculation in realistic volume conductors

    Energy Technology Data Exchange (ETDEWEB)

    Nolte, Guido [Human Motor Control Section, NINDS, NIH, Bethesda, MD (United States)

    2003-11-21

    The equation for the magnetic lead field for a given magnetoencephalography (MEG) channel is well known for arbitrary frequencies but is not directly applicable to MEG in the quasi-static approximation. In this paper we derive an equationstarting from the very definition of the lead field instead of using Helmholtz's reciprocity theorems. The results are (a) the transpose of the conductivity times the lead field is divergence-free, and (b) the lead field differs from the one in any other volume conductor by a gradient of a scalar function. Consequently, for a piecewise homogeneous and isotropic volume conductor, the lead field is always tangential at the outermost surface. Based on this theoretical result, we formulated a simple and fast method for the MEG forward calculation for one shell of arbitrary shape: we correct the corresponding lead field for a spherical volume conductor by a superposition of basis functions, gradients of harmonic functions constructed here from spherical harmonics, with coefficients fitted to the boundary conditions. The algorithm was tested for a prolate spheroid of realistic shape for which the analytical solution is known. For high order in the expansion, we found the solutions to be essentially exact and for reasonable accuracies much fewer multiplications are needed than in typical implementations of the boundary element methods. The generalization to more shells is straightforward.

  17. 封冻期流量推求方法的探讨%Exploration for volume calculation method in the freezing period

    Institute of Scientific and Technical Information of China (English)

    刘国锋; 李周明; 苍学深

    2001-01-01

    封冻期径流成分按补给来源分主要以地下水补给为主。根据地下水退水的一般规律,提出了针对天然河道封冻期流量推求方法的建议。在一般情况下,中小河流稳定封冻期流量推求应以实测流量过程线法为主。%Based on the supplying resources,ground water was considered as the primary resource to the main runoff in the freezing period.According to the general pattern of ground water lowering,this paper suggested a volume calculation method in the natural river courses in the freezing period.The result showed that the measured volume“Course Line” method should be generally taken as the primary one in calculation of the stable volume of the medium-and small-size rivers during the freezing period.

  18. ZEMO system for generating group constants

    International Nuclear Information System (INIS)

    The code system ZEMO for generating 26 group and 140-group constant sets for fast breeder reactors neutronics is considered. Group constant libraries, calculational techniques, formats of generated group constant sets and code control parameters are described. Results of one-dimensional model calculations for some critical assemblies and results of investigation of sodium void reactivity effect calculational error caused by 26-group approximation for two-dimensional model of BN-800 are presented. 14 refs.; 1 fig.; 3 tabs

  19. Monte Carlo calculations of the elastic moduli and pressure-volume-temperature equation of state for hexahydro-1,3,5-trinitro-1,3,5-triazine

    International Nuclear Information System (INIS)

    Isothermal-isobaric Monte Carlo calculations were used to obtain predictions of the elastic coefficients and derived engineering moduli and Poisson ratios for crystalline hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). The elastic coefficients were computed using the strain fluctuation formula due to Rahman and Parrinello [J. Chem. Phys. 76, 2662 (1982)]. Calculations were performed as a function of temperature (218 K≤T≤333 K) and hydrostatic pressure (0 GPa≤p≤4 GPa). The predicted values of the moduli and Poisson ratios under ambient conditions are in accord with general expectations for molecular crystals and with a very recent, unpublished determination for RDX. The moduli exhibit a sensitive pressure dependence whereas the Poisson ratios are relatively independent of pressure. The temperature dependence of the moduli is comparable to the precision of the results. However, the crystal does exhibit thermal softening for most pressures. An additional product of the calculations is information about the pressure-volume-temperature (pVT) equation of state. We obtain near-quantitative agreement with experiment for the case of hydrostatic compression and reasonable, but not quantitative, correspondence for thermal expansion. The results indicate a significant dependence of the thermal expansion coefficients on hydrostatic pressure. (c) 2000 American Institute of Physics

  20. MEASURED DENSITIES, REFRACTIVE INDICES, EXCESS MOLAR VOLUMES AND DEVIATIONS CALCULATED FROM MOLAR REFRACTION OF THE BINARY MIXTURE OF ETHANOL + 1-NONANOL AND TERNARY MIXTURE ETHANOL + 1-NONANOL + WATER AT 293.15 K

    Directory of Open Access Journals (Sweden)

    Mehmet MAHRAMANLIOĞLU

    2000-03-01

    Full Text Available Densities, and refractive indices were measured for the binary system ethanol + 1-nonanol and ternary system ethanol + 1-nonanol + water at 293.15 K. The excess molar volumes, and the deviations molar refraction were calculated for binary and ternary system. Redlich-Kister type equation was fitted to the excess molar volumes and, the deviations from a mole fraction average of the molar refraction, and the values of coefficients were calculated

  1. Pressure Dependence of Molar Volume near the Melting Point in Benzene

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The pressure dependence of the molar volume was at constant temperatures close to the melting point in benzene. The molar volume of benzene was calculated using experimental data for the thermal expansivity for constant temperatures of 25℃, 28.5℃, 40℃, and 51℃ at various pressures for both the solid and liquid phases. The predictions are in good agreement with the observed volumes in both the solid and liquid phases of benzene. The predicted values of the molar volume for a constant temperature of 28.5℃ in the liquid phase of benzene agree well with experimental data in the literature.

  2. 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

  3. 基于连续能量蒙特卡罗方法的均匀化群常数计算%Continuous energy Monte Carlo method based homogenization multi-group constants calculation

    Institute of Scientific and Technical Information of China (English)

    李满仓; 王侃; 姚栋

    2012-01-01

    两步法反应堆物理计算流程中,组件均匀化群常数显著影响堆芯计算精度.相比确定论方法,连续能量蒙特卡罗方法均匀化精确描述各种几何构型栅格,避免繁琐共振自屏计算,保留更多连续能量信息,不仅产生的群常数更精确,而且普适性也更强.作为实现连续能量蒙特卡罗组件均匀化的第一步,本文应用径迹长度方法统计计算一般群截面和群常数,提出并使用散射事件方法获得不能直接应用确定论方法计算群间散射截面和高阶勒让德系数,应用P1截面计算扩散系数.为还原两步法计算流程中组件在堆芯的临界状态,本文应用BN理论对均匀化群常数进行泄漏修正.在4种类型组件和简化压水堆堆芯上数值验证蒙特卡罗均匀化群常数.验证结果表明:连续能量蒙特卡罗方法组件均匀化群常数具有良好几何适应性,显著提高堆芯计算精度.%The efficiency of the standard two-step reactor physics calculation relies on the accuracy of multi-group constants from the assembly-level homogenization process. In contrast to the traditional deterministic methods, generating the homogenization cross sections via Monte Carlo method overcomes the difficulties in geometry and treats energy in continuum, thus provides more accuracy parameters. Besides, the same code and data bank can be used for a wide range of applications, resulting in the versatility using Monte Carlo codes for homogenization. As the first stage to realize Monte Carlo based lattice homogenization, the track length scheme is used as the foundation of cross section generation, which is straight forward. The scattering matrix and Legendre components, however, require special techniques. The Scattering Event method was proposed to solve the problem. There are no continuous energy counterparts in the Monte Carlo calculation for neutron diffusion coefficients. P1 cross sections were used to calculate the diffusion

  4. Determination of Enthalpy Change of Reaction of Formation,Molar Heat Capacity and Constant-Volume Combustion Energy of the Ternary Solid Complex Lu(Et2dtc)3(phen)%Lu(Et2dtc)3(phen)的生成反应焓变、摩尔热容和恒容燃烧能测定

    Institute of Scientific and Technical Information of China (English)

    葛红光; 陈三平; 谢钢; 扬旭武; 高胜利; 史启祯

    2006-01-01

    A ternary solid complex Lu(Et2dtc)3(phen) has been obtained from the reaction of hydrated lutetiumchloride with sodium diethyldithiocarbamate (NaEt2dtc), and 1,10-phenanthroline (o-phen·H2O) in absolute ethanol. IR spectrum of the complex indicates that Lu3+ binds with sulfur atom in the Na (Et2dtc)3 and nitrogen atom in the o-phen. The enthalpy change of liquid-phase reaction of formation of the complex, △rHm(-)(1), was determined to be (-32.821 ± 0.147 ) Kj·mol-1 at 298.15 K by an RD-496 Ⅲ type heat conduction microcalormeter. The enthalpy change of the solid-phase reaction of formation of the complex, △rHm(-) (s), was calculated to be (104.160 ± 0.168) Kj · mol-1 on the basis of an appropriate thermochemistry cycle. The thermodynamics of liquid-phase reaction of formation of the complex was investigated by changing the temperature of liquid-phase reaction. Fundamental parameters, such as the activation enthalpy (△H(-)≠), the activation entropy (△S(-)≠), the activation free energy (△G≠(-)), the apparent reaction rate constant (k), the apparent activation energy (E), the pre-exponential constant (A) and the reaction order (n), were obtained by combination the reaction thermodynamic and kinetic equations with the data of thermokinetic experiments. The molar heat capacity of the complex, cm, was determined to be (82.23 ± 1.47) J·mol-1·K-1 by the same microcalormeter. The constant-volume combustion energy of the complex, △Cu, was determined as (-17 898.228 ± 8.59) Kj·mol-1 by an RBC-Ⅱ type rotating-bomb calorimeter at 298.15 K. Its standard enthalpy of combustion, △cHm(-), and standard enthalpy of formation, △fHm(-), were calculated to be (-17 917.43 ± 8.11) Kj·mol-1 and (-859.95 ±10.12) Kj·mol-1, respectively.

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

    International Nuclear Information System (INIS)

    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

  6. Pseudo-molecular approach for the elastic constants of nematic liquid crystals interacting via anisotropic dispersion forces

    Energy Technology Data Exchange (ETDEWEB)

    Simonário, P.S., E-mail: simonario@gmail.com [Departamento de Física, Universidade Estadual de Maringá, Avenida Colombo, 5790, 87020-900 Maringá, Paraná (Brazil); Freire, F.C.M.; Evangelista, L.R. [Departamento de Física, Universidade Estadual de Maringá, Avenida Colombo, 5790, 87020-900 Maringá, Paraná (Brazil); Teixeira-Souza, R.T. [Universidade Tecnológica Federal do Paraná – Câmpus Apucarana, Rua Marcílio Dias, 635, 86812-460 Apucarana, Paraná (Brazil)

    2014-01-17

    The bulk and the surface-like elastic constants of a nematic liquid crystal are calculated for an ensemble of particles interacting via anisotropic dispersion forces using the pseudo-molecular method. The geometrical anisotropy of the molecules is also taken into account in the calculations by choosing a molecular volume of ellipsoidal shape. Analytical expressions for the elastic constants are obtained as a function of the eccentricity in the molecular volume shape. The method allows one to explore the dependence on the molecular orientation with respect to the intermolecular vector by analyzing the magnitude and the behaviour of macroscopic elastic parameters defining the nematic phase.

  7. Value of the fraction of ejection and the end-diastolic volume of the left ventricle calculated by means of Gated-Spect

    International Nuclear Information System (INIS)

    Aim: The fraction of ejection is one of the predictions factors more important after a acute heart attack and is essential its calculation in these patients. On the other hand the existence of residue ischemia is a basic information to predict the evolution and to decide the treatment about this pathology. The use of the Gated-Spect can contribute of simultaneous form both information. Our aim was to evaluate the utility of the fraction of ejection and of the volume end-diastolic of the left ventricle calculated by means of Gated-Spect as well as the relation that exists with the fact of the existence of scar in this images. Materials and Methods: 34 patients were studied (27 men and 7 women) sent to our service for accomplishment of Spect of myocardium perfusion for suspicion it diagnoses of heart attack of myocardium for present at least 2 of 3 clinical classic criteria (typical clinic, alterations ECG and increase enzymatic), to that was realized heart Gated-Spect with 925 MBq of Tc99-tetrofosmin after pharmacological stimulation with adenosine and 2 days later Spect with 333 MBq of the same tracer for acquisition of base images. Results: All the patients presented faults of perfusion fixed assimilable to zones of scar, finding in 13 of them certain degree of reversibility that was indicating existence of residue ischemia. The average of fraction of ejection was of 36.62% . Dividing by groups the fraction of ejection in the scar without ischemia ensued from 32.33% and in the scar with ischemia from 43.54%, being the difference between both groups significant statistically (P=0.003). For the volume end-diastolic the average belonged to 141.97 ml being divided in 157.90 ml for the pure scar and 116.23 ml for the scar with ischemia being this difference also significant (P=0.04) the relation is verified likewise between fraction of ejection and volume telediastolico with Pearson's coefficient between both variables of-0.79. Conclusion: According to our results the

  8. THEORY OF PHYSICAL CONSTANTS AND SUPERGRAVITY IN 112D

    Directory of Open Access Journals (Sweden)

    Trunev A. P.

    2016-04-01

    Full Text Available In this article we discuss a version of the metric theory of the fundamental interactions in which it is assumed that the physical constants due to the presence of extra dimensions of space-time. The estimation of the number of physical constants based on the theory of supergravity in 112D is that the minimum number of constants is equal to 222, and the maximum number - 1404928. At present, the number of parameters that characterize the elementary particles, isotopes and chemical elements is about 150920. This number is 9.3 less than the maximum possible number of parameters that indicate still great potential of modern science. Functions describing the area and volume of a unit hypersphere, embedded in a Riemannian space of arbitrary dimension, were used to find the fundamental physical constants. A satisfactory agreement with a relative error of 0.03% calculated and experimental values of the fine structure constant found out. For the ratio of the average mass of a nucleon to the electron mass is obtained coincidence with the experimental value with an accuracy of 0.002%. The proposed theory of physical constants different from that Bartini theory that established the optimal dimension of the space is a hypersphere 5 and 7, rather than 6 as in Bartini theory. The problems of the compactification of extra dimensions in describing the motion in fourdimensional space-time are discussed

  9. 第一性原理研究Pt-Zr系统中化合物的生成焓/体模量与原子体积的线性相关性%Linear correlations of formation enthalpies/bulk modules and atomic volumes observed in Pt-Zr compounds by ab initio calculation

    Institute of Scientific and Technical Information of China (English)

    白雪; 李家好; 戴叶; 柳百新

    2013-01-01

    118 kinds of Pt-Zr phases were established and investigated by considering various structures. Then the related physical properties, such as structural stability, lattice constants, formation enthalpies, elastic constants and bulk moduli, are obtained by ab initio calculations. Based on the calculated results of formation enthalpies, the ground-state convex hull is derived for the Pt-Zr system. The calculated physical data would provide a basis for further thermodynamic calculations and atomistic simulations. For these Pt-Zr compounds, it is found there are a positive linear correlation between the formation enthalpies and atomic volumes, and a negative linear correlation between the bulk modules and atomic volumes.%通过第一性原理的计算方法,研究118种不同结构的Pt-Zr中间化合物,并选取相关的物理性能,如结构稳定性、晶格常数、生成焓、弹性常数以及体模量等进行计算。根据计算得出的生成焓信息,绘制Pt-Zr系统的基态能量曲线。计算得到的物理相关信息为未来的热力学计算和原子尺度模拟提供基础数据。在选取的 Pt-Zr化合物中,存在两组线性相关关系:生成焓与原子体积成正线性相关,而体模量与原子体积成负线性相关关系。

  10. Cosmological Hubble constant and nuclear Hubble constant

    International Nuclear Information System (INIS)

    The evolution of the Universe after the Big Bang and the evolution of the dense and highly excited nuclear matter formed by relativistic nuclear collisions are investigated and compared. Values of the Hubble constants for cosmological and nuclear processes are obtained. For nucleus-nucleus collisions at high energies the nuclear Hubble constant is obtained in the frame of different models involving the hydrodynamic flow of the nuclear matter. Significant difference in the values of the two Hubble constant - cosmological and nuclear - is observed

  11. Frequency Dependence of Attenuation Constant of Dielectric Materials

    Directory of Open Access Journals (Sweden)

    A. S. Zadgaonkar

    1975-01-01

    Full Text Available Different dielectric materials have been studied for frequency dependence of attenuation constant. The sensitive cathode ray oscillograph method has been used to evaluate to the dielectric constant and loss factor, and from these attenuation constants have been calculated. The temperature remaining constant, a regular increase has been observed in attenuation constant, at higher frequencies of electro-magnetic propagating wave.

  12. 一种预混燃烧加热式定容燃烧弹的研发%Development of a constant volume combustion bomb heated by premixed burning

    Institute of Scientific and Technical Information of China (English)

    邓鹏; 黄荣华; 张永林; 马寅杰

    2013-01-01

    An optical accessible constant volume combustion bomb was developed by the modular design concept to improve its adaptability and capability.This combustion bomb can meet the requirements for premixed combustion,spray evaporation,spray combustion,etc.To simulate the high pressure,high temperature and oxygen lean conditions occurred in advanced diesel engines,the ambient gas in the combustion bomb was heated by preburning of acetylene+oxygen mixture.Experiments show that this apparatus can simulate different spray combustion environments conveniently,the oxygen concentration ranges from 0% to 21%,the ambient pressure ranges from 0.04 to 10.00 MPa and the ambient tempreature ranges from 300 to 1300 K.Spray atomization,evaporation and combustion process were studied in the apparatus using high speed schlieren method.Results show that this apparatus provides an essential prerequisite for studying issues related to vaporizing and combustion fuel spray in internal combustion engines.%为提高定容燃烧弹的适应性,增强其功能扩展潜力,采用模块化设计思想,研制出可满足预混燃烧、喷雾蒸发与燃烧等多种类型研究需求的可视化定容燃烧弹.为模拟内燃机缸内高温高压和氧体积分数可调的喷雾燃烧环境,采用乙炔+氧气预混合燃烧加热法,试验结果表明:该方法可方便快速地模拟出氧体积分数为0%~21%、环境压力为0.04~10.00MPa和环境温度为300~1300 K的喷雾燃烧环境;结合高速数字纹影法光学诊断系统,实现了对喷雾雾化过程、油气蒸发混合过程和喷雾着火燃烧过程的高速观测与记录;该试验平台为深入研究内燃机喷雾蒸发与燃烧过程提供了必要条件.

  13. 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, M.P.

    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.

  14. Determination of mass density, dielectric, elastic, and piezoelectric constants of bulk GaN crystal.

    Science.gov (United States)

    Soluch, Waldemar; Brzozowski, Ernest; Lysakowska, Magdalena; Sadura, Jolanta

    2011-11-01

    Mass density, dielectric, elastic, and piezoelectric constants of bulk GaN crystal were determined. Mass density was obtained from the measured ratio of mass to volume of a cuboid. The dielectric constants were determined from the measured capacitances of an interdigital transducer (IDT) deposited on a Z-cut plate and from a parallel plate capacitor fabricated from this plate. The elastic and piezoelectric constants were determined by comparing the measured and calculated SAW velocities and electromechanical coupling coefficients on the Z- and X-cut plates. The following new constants were obtained: mass density p = 5986 kg/m(3); relative dielectric constants (at constant strain S) ε(S)(11)/ε(0) = 8.6 and ε(S)(11)/ε(0) = 10.5, where ε(0) is a dielectric constant of free space; elastic constants (at constant electric field E) C(E)(11) = 349.7, C(E)(12) = 128.1, C(E)(13) = 129.4, C(E)(33) = 430.3, and C(E)(44) = 96.5 GPa; and piezoelectric constants e(33) = 0.84, e(31) = -0.47, and e(15) = -0.41 C/m(2).

  15. 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

  16. First Principles Calculation of Elastic Constants of Monoclinic HfO2 Thin Film%单斜相HfO2薄膜弹性常数的第一性原理计算

    Institute of Scientific and Technical Information of China (English)

    蔺玲; 邵淑英; 李静平

    2013-01-01

    用电子束蒸发沉积在K9玻璃基底上镀制HfO2薄膜,沉积温度为200℃,蒸发速率为0.03 nm/s.由X射线衍射谱可知薄膜出现明显结晶,且为单斜相和正交相混合结构,其中单斜相占明显优势.用Jade5软件分析得到单斜相HfO2的晶格常数a,b,c以及晶格矢量a和c之间的夹角β.基于得到的晶格常数建立了单斜相HfO2薄膜的晶体结构模型.同时建立固态单斜相HfO2的晶体结构模型进行对比.通过密度泛函理论(DFT)框架下的平面超软赝势法,采用两种不同的交换关联函数:局域密度近似(LDA)中的CA-PZ和广义梯度近似(GGA)中的质子平衡方程(PBE),计算了薄膜态和固态单斜晶相HfO2的弹性刚度系数矩阵Gij和弹性柔度系数矩阵Sij,Reuss模型、Voigt模型和Hill理论下的体积模量和剪切模量,材料平均杨氏模量和泊松比.此外还计算得到薄膜态和固态单斜晶相HfO2在不同方向上的杨氏模量.%HfO2 films are deposited by electron beam evaporation at a deposition rate of 0.03 nm/s and deposition temperature of 200 ℃ on K9 glass substrates. The films are observed to show a mixed structure of monoclinic and orthorhombic phase through X-ray diffraction and monoclinic phase is of obvious advantages. The structure parameters a, b, c and angel β of monoclinic HfO2 films are obtained using Jade5 software, based on which the crystal structure model is built. While solid crystal monoclinic HfO2 model is built to compare with the thin film one. Elastic stiffness constants of monoclinic HfO2 thin film and solid crystal are investigated using the plane waves ultrasoft pseudopotential technique based on the density functional theory (DFT) under two different exchange correlation functions of local density approximation (LDA) CA-PZ and generalized gradient approximation (GGA) PBE. Reuss, Voigt and Hill theories are used to estimate the bulk, shear and average Young's moduli and Possion ratio for polycrystalline HfO2

  17. 过氧烷基自由基分子内氢迁移反应类速率常数的计算%Calculation of Rate Constants for Intramolecular Hydrogen Migration Reactions of Alkylperoxy Radicals

    Institute of Scientific and Technical Information of China (English)

    李尚俊; 谈宁馨; 姚倩; 李泽荣; 李象远

    2015-01-01

    Intramolecular hydrogen migration in alkylperoxy reactions is one of the most important reaction classes in hydrocarbon combustion at low temperatures. In this study, the kinetic parameters for reactions in this class were calculated using the isodesmic reaction method. The geometries for al the reactants, transition states, and products were optimized at the B3LYP/6-311+G(d,p) level. A criterion based on conservation of the reaction-center geometry of the transition state was proposed for the reaction class, and the intramolecular hydrogen migration reactions studied were divided into four classes, i.e., (1,3), (1,4), (1,5), and (1,n) (n=6, 7, 8) hydrogen migration. The simplest reaction system for each reaction class was defined as the principal reaction;the approximate single-point energies were obtained at the low level of B3LYP/6-311+G(d,p) and accurate single-point energies were obtained at the high level of CBS-QB3. The other reactions in this class were chosen as the target reactions and the approximate single-point energies were obtained at the B3LYP/6-311+G(d,p) level. The energy barriers and rate constants of these target reactions were corrected using the isodesmic reaction method. The results showed that accurate energy barriers and rate constants for the reactions of large molecules can be obtained by a relatively low level method using the isodesmic reaction method. In this study, classification of the basic isodesmic reaction showed the essential features of the reaction classes. The present work provides accurate kinetic parameters for modeling intramolecular hydrogen migration reactions of hydrocarbons at low temperatures.%过氧烷基自由基分子内氢迁移是低温燃烧反应中的一类重要基元反应。本文用等键反应方法计算了该类反应的动力学参数。所有反应物、过渡态、产物的几何结构均在B3LYP/6-311+G(d,p)水平下优化得到。本文提出了用过渡态反应中心几何结构守恒作为反

  18. 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

  19. 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...

  20. 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...

  1. Calculations of the interatomic force constants of argon crystal from its thermal properties%由热学性质获取氩晶体原子间各阶力常数

    Institute of Scientific and Technical Information of China (English)

    黄建平; 胡诗一

    2014-01-01

    本文基于晶格动力学和量子力学微扰理论推导了氩晶体的热膨胀系数和比热与原子间相互作用的各阶力常数之间的关系公式,在此基础上根据热膨胀系数和比热的数据计算了氩晶体内的原子间相互作用的各阶力常数,并根据这些力常数绘制了原子间相互作用势能曲线,经比对发现该势能曲线与Morse势能曲线能较好吻合,这表明,本文提出的从热膨胀系数和比热获取各阶力常数的方法是正确的。%The formulas to describe thermal expansion coefficient and heat capacity of argon crystal in terms of interatomic force constants are derived based on the lattice dynamics and perturbation theory of quantum mechan-ics, and then the interatomic force constants are obtained from thermal expansion coefficients and heat capacities of argon crystal with these formulas.Finally the interatomic potential energy curve is plotted based on these force constants.It is found that this potential energy curve coincides with the Morse potential energy curve well, this means that the method of obtaining the interatomic force constants of argon crystal from thermal properties is cor-rect.

  2. Polar Mohr diagram method and its application in calculating the shear displacements of general shear zones with volume loss--With the Sangshuyuanzi ductile shear zone as an example

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The main problem,in determining the shear displacement of a general shear zone with volume change using the available formula,is that it is hard to know the initial angle between the planes (or lines) in the plane of shear.A planar deformation analysis of this kind of ductile shear zone is carried out with the polar Mohr diagram.If the volume change is induced by homogeneous contraction in the Z direction of the shear zone,there are sufficient conditions for constructing a polar Mohr diagram regardless of sequence of the simple shear and volume change.Therefore,the angle between a line and the shear direction before and after the deformation can be measured.Making use of these lines the shear strain and the volume change can be calculated and the shear displacement can be determined.

  3. Polar Mohr diagram method and its application in calculating the shear displacements of general shear zones with volume loss——With the Sangshuyuanzi ductile shear zone as an example

    Institute of Scientific and Technical Information of China (English)

    李海; 郭召杰; 刘瑞洵; 刘树文; 张志诚

    2000-01-01

    The main problem, in determining the shear displacement of a general shear zone with volume change using the available formula, is that it is hard to know the initial angle between the planes (or lines) in the plane of shear. A planar deformation analysis of this kind of ductile shear zone is carried out with the polar Mohr diagram. If the volume change is induced by homogeneous contraction in the Z direction of the shear zone, there are sufficient conditions for constructing a polar Mohr diagram regardless of sequence of the simple shear and volume change. Therefore, the angle between a line and the shear direction before and after the deformation can be measured. Making use of these lines the shear strain and the volume change can be calculated and the shear displacement can be determined.

  4. Cosmological Constant and Soft Terms in Supergravity

    OpenAIRE

    Choi, Kiwoon; Kim, Jihn E.; Nilles, Hans Peter, Ramos-S\\xe1nchez, Sa\\xfal

    1994-01-01

    Some of the soft SUSY breaking parameters in hidden sector supergravity model depend on the expectation value of the hidden sector scalar potential, $$, whose tree level value is equal to the tree level cosmological constant. The current practice of calculating soft parameters assumes that $=0$. Quantum correction to the cosmological constant can differ from the correction to $$ by an amount of order $m^2_{3/2}M_{Pl}^2/8\\pi$. This implies that, for the vanishing cosmological constant, the $$-...

  5. Hydrolysis and formation constants at 250C

    International Nuclear Information System (INIS)

    A database consisting of hydrolysis and formation constants for about 20 metals associated with the disposal of nuclear waste is given. Complexing ligands for the various ionic species of these metals include OH, F, Cl, SO4, PO4 and CO3. Table 1 consists of tabulated calculated and experimental values of log K/sub xy/, mainly at 250C and various ionic strengths together with references to the origin of the data. Table 2 consists of a column of recommended stability constants at 250C and zero ionic strength tabulated in the column headed log K/sub xy/(0); other columns contain coefficients for an extended Debye-Huckel equation to permit calculations of stability constants up to 3 ionic strength, and up to 0.7 ionic strength using the Davies equation. Selected stability constants calculated with these coefficients for various ionic strengths agree to an average of +- 2% when compared with published experimental and calculated values

  6. Insurance Calculation of Bankruptcy Probability of Constant Interest Rate Model under Dependent Negative%负相依下带常数利率模型的破产概率的保险计算

    Institute of Scientific and Technical Information of China (English)

    李明倩

    2014-01-01

    本文研究了负相依索赔条件下带常数利率的风险模型在随机区间上的破产问题,最终得到了该模型破产概率的渐进表达式。%This paper studies the risk model under conditions of constant interest rates negatively correlated claims in the bankruptcy issue random intervals, and finally get the asymptotic expression of the model the probability of bankruptcy.

  7. Solution of TiO$_{2}$ memristor-capacitor series circuit excited by a constant voltage source and its application to calculate operation frequency of a programmable TiO$_{2}$ memristor-capacitor relaxation oscillator

    OpenAIRE

    MUTLU, Reşat

    2015-01-01

    The memristor is a new-found circuit element and its applications in programmable circuits are also under study. Analysis of most of its combinations with other circuit elements such as resistors, capacitors, and inductors does not exist. In this work, a TiO$_{2}$ memristor model with linear dopant drift speed is used and the solution of a TiO$_{2}$ memristor and capacitor series circuit driven by a constant voltage source is given. It is then used to analyze a novel M-C oscillator circuit. I...

  8. Right atrial volume calculated by multi-detector computed tomography. Useful predictor of atrial fibrillation recurrence after pulmonary vein catheter ablation

    International Nuclear Information System (INIS)

    We investigated whether right atrial (RA) volume could be used to predict the recurrence of atrial fibrillation (AF) after pulmonary vein catheter ablation (CA). We evaluated 65 patients with paroxysmal AF (mean age, 60+10 years, 81.5% male) and normal volunteers (57±14 years, 41.7% male). Sixty-four-slice multi-detector computed tomography was performed for left atrial (LA) and RA volume estimations before CA. The recurrence of AF was assessed for 6 months after the ablation. Both left and right atrial volumes were larger in the AF patients than the normal volunteers (LA: 99.7+33.2 ml vs. 59.7+17.4 ml; RA: 82.9+35.7 ml vs. 43.9+12 ml; P100 ml) for predicting the recurrence of AF was 81.3% in 13 of 16 patients with AF recurrence, and the specificity was 69.4% in 34 of 49 patients without recurrence. The sensitivity with large RA volumes (>87 ml) was 81.3% in 13 of 16 patients with AF recurrence, and the specificity was 75.5% in 37 of 49 patients without recurrence. RA volume is a useful predictor of the recurrence of AF, similar to LA volume. (author)

  9. Elastic Constants of Superconducting MgB2 from Molecular Dynamics Simulations with Shell Model

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    The elastic constants of superconducting MgB2 are calculated using a molecular dynamics method (MD)with shell model. The lattice parameters, five independent elastic constants, equations of state (EOS), Debye temperature, and bulk modulus of MgB2 are obtained. Meanwhile, the dependence of the bulk modulus B, the lattice parameters a and c, and the unit cell volume V on the applied pressure are presented. It is demonstrated that the method introduced here can well reproduce the experimental results with a reasonable accuracy.

  10. Renormalization Constants of Quark Operators for the Non-Perturbatively Improved Wilson Action

    CERN Document Server

    Becirevic, D; Lubicz, V; Martinelli, G; Papinutto, Mauro; Reyes, J

    2004-01-01

    We present the results of an extensive lattice calculation of the renormalization constants of bilinear and four-quark operators for the non-perturbatively O(a)-improved Wilson action. The results are obtained in the quenched approximation at four values of the lattice coupling by using the non-perturbative RI/MOM renormalization method. Several sources of systematic uncertainties, including discretization errors and final volume effects, are examined. The contribution of the Goldstone pole, which in some cases may affect the extrapolation of the renormalization constants to the chiral limit, is non-perturbatively subtracted. The scale independent renormalization constants of bilinear quark operators have been also computed by using the lattice chiral Ward identities approach and compared with those obtained with the RI-MOM method. For those renormalization constants the non-perturbative estimates of which have been already presented in the literature we find an agreement which is typically at the level of 1%...

  11. 二氧化碳与2-丁醇二元体系在高压下的亨利系数和偏摩尔体积性质计算%Calculation of Henry's coefficient and partial molar volume of carbon dioxide in 2-butanol at elevated pressures

    Institute of Scientific and Technical Information of China (English)

    田爱琴; 孙洪博; 陈文涛; 王琳

    2012-01-01

    Based on vapor-liquid phase equilibria data for CO2+2-butanol binary system from 323K to 353K by constant-volume visual high-pressure cell, the solubility model of CO2 in 2-butanol was established with Krichevsky-Kasarnovsky equation. Henry's coefficients and partial molar volumes of CO2 at infinite dilution were calculated. Meanwhile, Partial molar volumes of CO2 and 2-butanol at equilibrium were calculated from partial molar volumes properties together with Peng-Robinson equation of state and Van der Waals-2 mixed rule. The results showed that Henry's coefficients and partial molar volumes of CO2 at infinite dilution were both the function of temperature, and Henry's coefficients decreased with temperature. The partial molar volumes of CO2 at infinite dilution were negative and the magnitudes decreased with temperature. The calculated effects of partial molar volumes of vapor and liquid phase at equilibrium showed that the partial molar volumes of CO2 and 2-butanol in liquid phase were positive, but in vapor the partial molar volumes of CO2 were negative and the partial molar volumes of 2-butanol were positive. The research provided theoretical basis for deciding supercritical extraction conditions and instructing industrial production.%利用固定体积可视高压釜测量出的在323 K~353 K温度范围内的CO2与2-丁醇二元体系在高压下的汽液相平衡数据,根据Krichevsky-Kasarnovsky方程建立了CO2在液相中的溶解度模型,得到了该二元体系在高压下的亨利系数和CO2在无限稀释溶液中的偏摩尔体积等性质.同时根据偏摩尔体积性质和Peng-Robinson状态方程及Van der Waals-2混合规则来计算该体系在平衡状态下的气、液相的偏摩尔体积.结果表明CO2在2-丁醇中的亨利系数和CO2在无限稀释溶液中的偏摩尔体积均为温度的函数,CO2在2-丁醇中的亨利系数随温度的升高而降低.CO2在无限稀释溶液中的偏摩尔体积(V)1∞在研究温度下均为

  12. Volume of ionic sites in silicate glasses

    International Nuclear Information System (INIS)

    Molar volume data of alkali and alkaline earth silicate glasses have been used to calculate the free volume associated with the bridging and nonbridging oxygen and modifier ions. The free volume associated with the bridging oxygen is constant (15.39 x 10-24 cm3) for all modifier ions up to 33.3 mol% modifier oxide. It decreases (in alkali or alkaline earth silicate glasses) with increasing number of nonbridging oxygen ions per structural unit and/or radius of the modifier ion. The nonbridging oxygen ion is associated with a constant free volume (6.50 x 10-24 cm3) in all cases. Modifier ions are associated with free volume that increases with increasing number of nonbridging oxygen ions per structural unit and/or radius of the modifier ion. The used model explores the change in the free volume due to changing the concentration of alkali oxides in mixed alkali silicate glasses. The results show that, in such glasses, the free volume related to a certain type of alkali oxide increases with increasing content

  13. Varying Fine-Structure Constant and the Cosmological Constant Problem

    CERN Document Server

    Fujii, Y

    2003-01-01

    We start with a brief account of the latest analysis of the Oklo phenomenon providing the still most stringent constraint on time-variability of the fine- structure constant $\\alpha$. Comparing this with the recent result from the measurement of distant QSO's appears to indicate a non-uniform time-dependence, which we argue to be related to another recent finding of the accelerating universe. This view is implemented in terms of the scalar-tensor theory, applied specifically to the small but nonzero cosmological constant. Our detailed calculation shows that these two phenomena can be understood in terms of a common origin, a particular behavior of the scalar field, dilaton. We also sketch how this theoretical approach makes it appropriate to revisit non- Newtonian gravity featuring small violation of Weak Equivalence Principle at medium distances.

  14. Varying Fine-Structure Constant and the Cosmological Constant Problem

    Science.gov (United States)

    Fujii, Yasunori

    We start with a brief account of the latest analysis of the Oklo phenomenon providing the still most stringent constraint on time variability of the fine-structure constant α. Comparing this with the recent result from the measurement of distant QSO's appears to indicate a non-uniform time-dependence, which we argue to be related to another recent finding of the accelerating universe. This view is implemented in terms of the scalar-tensor theory, applied specifically to the small but nonzero cosmological constant. Our detailed calculation shows that these two phenomena can be understood in terms of a common origin, a particular behavior of the scalar field, dilaton. We also sketch how this theoretical approach makes it appropriate to revisit non-Newtonian gravity featuring small violation of Weak Equivalence Principle at medium distances.

  15. Optimal Experimental Designs for Estimating Henry's Law Constants via the Method of Phase Ratio Variation

    OpenAIRE

    Kapelner, Adam; Krieger, Abba; Blanford, William J.

    2016-01-01

    When measuring Henry's Law constants ($k_H$) using the phase ratio method via headspace gas chromatography (GC), the value of $k_H$ of the compound under investigation is calculated from the ratio of the slope to the intercept of a linear regression of the 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 will collect measurements consisting of the independent variable (the gas/liquid volume ratio)...

  16. 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)

  17. Scalar relativistic calculations of hyperfine coupling constants using ab initio density matrix renormalization group method in combination with third-order Douglas-Kroll-Hess transformation: case studies on 4d transition metals.

    Science.gov (United States)

    Nguyen Lan, Tran; Kurashige, Yuki; Yanai, Takeshi

    2015-01-13

    We have developed a new computational scheme for high-accuracy prediction of the isotropic hyperfine coupling constant (HFCC) of heavy molecules, accounting for the high-level electron correlation effects, as well as the scalar-relativistic effects. For electron correlation, we employed the ab initio density matrix renormalization group (DMRG) method in conjunction with a complete active space model. The orbital-optimization procedure was employed to obtain the optimized orbitals required for accurately determining the isotropic HFCC. For the scalar-relativistic effects, we initially derived and implemented the Douglas-Kroll-Hess (DKH) hyperfine coupling operators up to the third order (DKH3) by using the direct transformation scheme. A set of 4d transition-metal radicals consisting of Ag atom, PdH, and RhH2 were chosen as test cases. Good agreement between the isotropic HFCC values obtained from DMRG/DKH3 and experiment was archived. Because there are no available gas-phase values for PdH and RhH2 radicals in the literature, the results from the present high-level theory may serve as benchmark data.

  18. 步进驱动器高压恒流过程与参数计算%High-Voltage Constant-Current Process and Parameter Calculation for Stepper Motor Drives

    Institute of Scientific and Technical Information of China (English)

    张文明

    2011-01-01

    To solve the problem of torque decrease at low or high speed,a new three-phase hybrid stepper motor drive was developed. All the hardware circuit and software program of the drive were presented. With the new device,the hardware circuit parameters,critical data and software design were analyzed in detail. Meanwhile a comprehesive explanation of the PLC,logic control,constant cruuent control,high voltage drive,current sampling,over current protection and power supply ciruit was put forward, which is of a certain reference value.%针对步进电动机在低速和高速转矩下降的问题,开发出一种新型三相混合式步进电动机驱动器.给出驱动器全部硬件电路和软件程序,结合新器件应用,对硬件电路参数、关键数据、软件设计进行详实分析,全面剖析了单片机、逻辑控制、恒流控制、高压驱动、电流采样、过压保护、供电电源电路等,具有一定参考价值.

  19. A program for calculating load coefficient matrices utilizing the force summation method, L218 (LOADS). Volume 2: Supplemental system design and maintenance document

    Science.gov (United States)

    Anderson, L. R.; Miller, R. D.

    1979-01-01

    The LOADS computer program L218 which calculates dynamic load coefficient matrices utilizing the force summation method is described. The load equations are derived for a flight vehicle in straight and level flight and excited by gusts and/or control motions. In addition, sensor equations are calculated for use with an active control system. The load coefficient matrices are calculated for the following types of loads: (1) translational and rotational accelerations, velocities, and displacements; (2) panel aerodynamic forces; (3) net panel forces; and (4) shears, bending moments, and torsions.

  20. Variation of fundamental constants: theory

    Science.gov (United States)

    Flambaum, Victor

    2008-05-01

    Theories unifying gravity with other interactions suggest temporal and spatial variation of the fundamental ``constants'' in expanding Universe. There are some hints for the variation of different fundamental constants in quasar absorption spectra and Big Bang nucleosynthesis data. A large number of publications (including atomic clocks) report limits on the variations. We want to study the variation of the main dimensionless parameters of the Standard Model: 1. Fine structure constant alpha (combination of speed of light, electron charge and Plank constant). 2. Ratio of the strong interaction scale (LambdaQCD) to a fundamental mass like electron mass or quark mass which are proportional to Higgs vacuum expectation value. The proton mass is propotional to LambdaQCD, therefore, the proton-to-electron mass ratio comes into this second category. We performed necessary atomic, nuclear and QCD calculations needed to study variation of the fundamental constants using the Big Bang Nucleosynthsis, quasar spectra, Oklo natural nuclear reactor and atomic clock data. The relative effects of the variation may be enhanced in transitions between narrow close levels in atoms, molecules and nuclei. If one will study an enhanced effect, the relative value of systematic effects (which are not enhanced) may be much smaller. Note also that the absolute magnitude of the variation effects in nuclei (e.g. in very narrow 7 eV transition in 229Th) may be 5 orders of magnitude larger than in atoms. A different possibility of enhancement comes from the inversion transitions in molecules where splitting between the levels is due to the quantum tunneling amplitude which has strong, exponential dependence on the electron to proton mass ratio. Our study of NH3 quasar spectra has already given the best limit on the variation of electron to proton mass ratio.

  1. 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.

  2. 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.

  3. The Alpha Constant from Relativistic Groups

    CERN Document Server

    González-Martin, G R

    2000-01-01

    The value of the alpha constant, known to be equal to an algebraic expression in terms of pi and entire numbers related to certain group volumes, is derived from the relativistic structure group of a geometric unified theory, its subgroups and corresponding symmetric space quotients.

  4. 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....

  5. Elastic constants and Debye temperature of wz-AlN and wz-GaN semiconductors under high pressure from first-principles

    Indian Academy of Sciences (India)

    B P Pandey; V Kumar; Eduardo Menendez Proupin

    2014-09-01

    First-principles calculations were performed to study the elastic stiffness constants ($C_{ij}$) 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 local density approximation (LDA) approach. The unit cell volume, lattice parameters, /, internal parameter (), elastic constant ($C_{ij}$), Debye temperature ($_D$), Hubbard parameter () and band gap ($E_g$) were studied under different pressures. The bulk modulus ($B_0$), reduced bulk modulus ($B'_0$) and Poisson ratio ($\\vee$) were also calculated. The calculated values of these parameters are in fair agreement with the available experimental and reported values.

  6. 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

  7. Variation of Fundamental Constants

    Science.gov (United States)

    Flambaum, V. V.

    2006-11-01

    Theories unifying gravity with other interactions suggest temporal and spatial variation of the fundamental ``constants'' in expanding Universe. The spatial variation can explain a fine tuning of the fundamental constants which allows humans (and any life) to appear. We appeared in the area of the Universe where the values of the fundamental constants are consistent with our existence. We present a review of recent works devoted to the variation of the fine structure constant α, strong interaction and fundamental masses. There are some hints for the variation in quasar absorption spectra. Big Bang nucleosynthesis, and Oklo natural nuclear reactor data. A very promising method to search for the variation of the fundamental constants consists in comparison of different atomic clocks. Huge enhancement of the variation effects happens in transition between accidentally degenerate atomic and molecular energy levels. A new idea is to build a ``nuclear'' clock based on the ultraviolet transition between very low excited state and ground state in Thorium nucleus. This may allow to improve sensitivity to the variation up to 10 orders of magnitude! Huge enhancement of the variation effects is also possible in cold atomic and molecular collisions near Feshbach resonance.

  8. Thermal shape fluctuations in hot rotating nuclei: Comparison of constant energy constraint and constant temperature constraint

    International Nuclear Information System (INIS)

    Statistical shape fluctuations can be calculated with two alternative assumptions: (a) the temperature remains constant as the shape fluctuates, or (b) the energy remains constant as the shape fluctuates. These two possibilities are compared for a simple model, the Landau theory, and the finite-temperature HFB cranking theory. Average electric quadrupole moments are compared for these two constraints. (orig.)

  9. The Hubble constant

    Science.gov (United States)

    Huchra, John P.

    1992-01-01

    The Hubble constant is the constant of proportionality between recession velocity and distance in the expanding universe. It is a fundamental property of cosmology that sets both the scale and the expansion age of the universe. It is determined by measurement of galaxy radial velocities and distances. Although there has been considerable progress in the development of new techniques for the measurements of galaxy distances, both calibration uncertainties and debates over systematic errors remain. Current determinations still range over nearly a factor of 2; the higher values favored by most local measurements are not consistent with many theories of the origin of large-scale structure and stellar evolution.

  10. 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)

  11. Measurement of Crystalline Lens Volume During Accommodation in a Lens Stretcher

    Science.gov (United States)

    Marussich, Lauren; Manns, Fabrice; Nankivil, Derek; Maceo Heilman, Bianca; Yao, Yue; Arrieta-Quintero, Esdras; Ho, Arthur; Augusteyn, Robert; Parel, Jean-Marie

    2015-01-01

    Purpose To determine if the lens volume changes during accommodation. Methods The study used data acquired on 36 cynomolgus monkey lenses that were stretched in a stepwise fashion to simulate disaccommodation. At each step, stretching force and dioptric power were measured and a cross-sectional image of the lens was acquired using an optical coherence tomography system. Images were corrected for refractive distortions and lens volume was calculated assuming rotational symmetry. The average change in lens volume was calculated and the relation between volume change and power change, and between volume change and stretching force, were quantified. Linear regressions of volume-power and volume-force plots were calculated. Results The mean (±SD) volume in the unstretched (accommodated) state was 97 ± 8 mm3. On average, there was a small but statistically significant (P = 0.002) increase in measured lens volume with stretching. The mean change in lens volume was +0.8 ± 1.3 mm3. The mean volume-power and volume-load slopes were −0.018 ± 0.058 mm3/D and +0.16 ± 0.40 mm3/g. Conclusions Lens volume remains effectively constant during accommodation, with changes that are less than 1% on average. This result supports a hypothesis that the change in lens shape with accommodation is accompanied by a redistribution of tissue within the capsular bag without significant compression of the lens contents or fluid exchange through the capsule. PMID:26161985

  12. Compassion is a constant.

    Science.gov (United States)

    Scott, Tricia

    2015-11-01

    Compassion is a powerful word that describes an intense feeling of commiseration and a desire to help those struck by misfortune. Most people know intuitively how and when to offer compassion to relieve another person's suffering. In health care, compassion is a constant; it cannot be rationed because emergency nurses have limited time or resources to manage increasing demands.

  13. 基于 Flash 平台下的钢筋工程量计算--以框架梁为例%Reinforced Concrete Construction Volume Calculation Based on Flash Platform:Taking Frame Girder as an Example

    Institute of Scientific and Technical Information of China (English)

    李云春; 李敬民; 马文杰; 王瑞; 陈双红

    2013-01-01

      在工程造价工作中,有关钢筋工程量的枯燥的平法表示法和繁琐的计算往往令初学者望而生畏,甚至失去了学习的兴趣。本文主要通过 Flash 强大的动画演示功能和内置的 AcionScript 脚本语言,以一根框架梁为例,将平淡无奇的钢筋平法图形像动画一样生动、形象地展示出来,并配以文字说明与计算方法,让钢筋工程量计算的学习变得简单易学,并较大程度地增强学习者的学习兴趣。%In the administration of engineering cost, students often have difficulties in P -method expression and cumbersome calculations of reinforced concrete construction volume, even lost interest in learning. Taking a frame girder as an example, the paper shows the P-method figure through Flashi and built-in AcionScript scripting language, with a text description and calculation methods; it makes calculation of reinforced concrete construction volume simply and easy, and enhances students ' interest in learning.

  14. Exact marginals and normalizing constant for Gibbs distributions

    OpenAIRE

    Hardouin, Cécile; Guyon, Xavier

    2010-01-01

    International audience We present a recursive algorithm for the calculation of the marginal of a Gibbs distribution $\\pi$. A direct consequence is the calculation of the normalizing constant of$\\pi$.

  15. 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.

  16. Variation of fundamental constants

    CERN Document Server

    Flambaum, V V

    2006-01-01

    We present a review of recent works devoted to the variation of the fine structure constant alpha, strong interaction and fundamental masses. There are some hints for the variation in quasar absorption spectra, Big Bang nucleosynthesis, and Oklo natural nuclear reactor data. A very promising method to search for the variation of the fundamental constants consists in comparison of different atomic clocks. Huge enhancement of the variation effects happens in transition between accidentally degenerate atomic and molecular energy levels. A new idea is to build a ``nuclear'' clock based on the ultraviolet transition between very low excited state and ground state in Thorium nucleus. This may allow to improve sensitivity to the variation up to 10 orders of magnitude! Huge enhancement of the variation effects is also possible in cold atomic and molecular collisions near Feschbach resonance.

  17. 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...

  18. New Quasar Studies Keep Fundamental Physical Constant Constant

    Science.gov (United States)

    2004-03-01

    fundamental constant at play here, alpha. However, the observed distribution of the elements is consistent with calculations assuming that the value of alpha at that time was precisely the same as the value today. Over the 2 billion years, the change of alpha has therefore to be smaller than about 2 parts per 100 millions. If present at all, this is a rather small change indeed. But what about changes much earlier in the history of the Universe? To measure this we must find means to probe still further into the past. And this is where astronomy can help. Because, even though astronomers can't generally do experiments, the Universe itself is a huge atomic physics laboratory. By studying very remote objects, astronomers can look back over a long time span. In this way it becomes possible to test the values of the physical constants when the Universe had only 25% of is present age, that is, about 10,000 million years ago. Very far beacons To do so, astronomers rely on spectroscopy - the measurement of the properties of light emitted or absorbed by matter. When the light from a flame is observed through a prism, a rainbow is visible. When sprinkling salt on the flame, distinct yellow lines are superimposed on the usual colours of the rainbow, so-called emission lines. Putting a gas cell between the flame and the prism, one sees however dark lines onto the rainbow: these are absorption lines. The wavelength of these emission and absorption lines is directly related to the energy levels of the atoms in the salt or in the gas. Spectroscopy thus allows us to study atomic structure. The fine structure of atoms can be observed spectroscopically as the splitting of certain energy levels in those atoms. So if alpha were to change over time, the emission and absorption spectra of these atoms would change as well. One way to look for any changes in the value of alpha over the history of the Universe is therefore to measure the spectra of distant quasars, and compare the wavelengths of

  19. 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...

  20. Kepler's Constant and WDS Orbit

    CERN Document Server

    Siregar, S

    2012-01-01

    The aim of this work are to find a Kepler's constant by using polynomial regression of the angular separation \\rho = \\rho(t) and the position angle \\theta = \\theta(t). The Kepler's constant obtained is used to derive the element of orbit. As a case study the angular separation and the position angle of the WDS 00063 +5826 and the WDS 04403-5857 were investigated. For calculating the element of orbit the Thiele-Innes van den Bos method is used. The rough data of the angular separation \\rho(t) and the position angle \\theta(t) are taken from the US Naval Observatory, Washington. This work also presents the masses and absolute bolometric magnitudes of each star.These stars include into the main-sequence stars with the spectral class G5V for WDS04403-5857and the type of spectrum G3V for WDS 00063+5826. The life time of the primary star and the secondary star of WDS 04403-5857 nearly equal to 20 Gyr. The life time of the primary star and the secondary star of WDS 00063+5826 are 20 Gyr and 19 Gyr, respectively.

  1. Available forest biomass for new energetic and industrial prospects. Part 1: analysis and synthesis of existing studies compiled at the international level. Part 2: volume calculations. Part 3: economic part. Final report

    International Nuclear Information System (INIS)

    Motivated by new energetic constraints and the interest of biomass, the authors report a bibliographical survey of studies concerning the evaluation of the available forest biomass. They comment the geographical and time distribution of the identified and compiled studies. They analyse their different topics. Then, they discuss the various field hypotheses, discuss and comments various resource assessment methodologies. They comment the resource the French forest can be, present a synthesis of the available resource at the regional level according to the different studies. They propose a review of some technical-economical aspects (costs, energy cost, price evolutions, improvement of the wood-energy mobilization). The second part proposes a whole set of volume calculations for different forest types (clusters or plantations of trees, copses, sawmills products), for industry and household consumption. It discusses the available volumes with respect to accessibility, additional available volumes, and possible improvements. The third part analyses, comments and discusses the wood market and wood energetic uses, and the possible supply curves for wood energetic uses by 2016

  2. 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.

  3. Calculating Henry’s Constants of Charged Molecules Using SPARC

    Science.gov (United States)

    SPARC Performs Automated Reasoning in Chemistry is a computer program designed to model physical and chemical properties of molecules solely based on thier chemical structure. SPARC uses a toolbox of mechanistic perturbation models to model intermolecular interactions. SPARC has ...

  4. Approximations to Euler's constant

    International Nuclear Information System (INIS)

    We study a problem of finding good approximations to Euler's constant γ=lim→∞ Sn, where Sn = Σk=Ln (1)/k-log(n+1), by linear forms in logarithms and harmonic numbers. In 1995, C. Elsner showed that slow convergence of the sequence Sn can be significantly improved if Sn is replaced by linear combinations of Sn with integer coefficients. In this paper, considering more general linear transformations of the sequence Sn we establish new accelerating convergence formulae for γ. Our estimates sharpen and generalize recent Elsner's, Rivoal's and author's results. (author)

  5. 含掺合料混凝土水化产物体积分数计算及其影响因素%Calculation of concrete with mineral admixture hydration products volume fraction and its influential factors

    Institute of Scientific and Technical Information of China (English)

    吴福飞; 董双快; 宫经伟; 陈亮亮; 李东生; 侍克斌

    2016-01-01

    Powers theory proposes calculation method for the pure volume of cement hydration products, which does not apply to calculate the volume of cementitious materials with mineral admixture. The formula of cementitious materials volume was proposed that based on the basic principles of cement and mineral admixture hydration, and the proposed method of reliability was verified by the results of Powers theoretical model and volume fraction of cement hydration products. On this basis, the factor such as water-cement ratio, the ratio of admixture and types was further researched for the volumes of cementitious materials hydration products. Mixture in test were designed 2 water-cement ratio (0.30 and 0.40, respectively), two content (20% and 60%, respectively) of mineral admixture, and 3 kinds of mineral admixture (lithium slag, fly ash and steel slag, respectively), forming paste that was stirred according with the designed ratio in 5 mL centrifuge tube in a blender and curing to 1, 7, 14, 28, 60 and 90 d in curing room (temperature was (20±1)℃, humidity was not less than 95%), and then testing reaction extent of cement and mineral admixture (such as fly ash, steel slag. lithium slag) according with the chemical bound water and HCl dissolution method. The results showed that hydration extent of lithium slag, fly ash and steel slag at 28d decreased by 46.63%, 69.56% and 74.82% (P<0.05) when mineral admixture content varied from 20% to 60% and water-cement ratio was 0.30. Hydration extent of cement at 28 d was increased by 7.25% when water-cement ratio increased from 0.30 to 0.40. When mineral admixture content varied from 20% to 60%, hydration extent of lithium slag, fly ash and steel slag at 28 d increased by 24.14% 18.56%, 17.61% and 8.84%, 12.21%, and 29.37% (P<0.05), respectively. In contrast, the influence of the mineral admixture content was bigger than water-cement ratio for the hydration extent of composite cementitious materials. In different water-cement ratio

  6. Experimental determination of the effective strong coupling constant

    Energy Technology Data Exchange (ETDEWEB)

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

    2005-09-15

    We extract an effective strong coupling constant from low Q2 data on the Bjorken sum. Using sum rules, we establish its Q2-behavior over the complete Q2-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.

  7. The ideal Kolmogorov inertial range and constant

    Science.gov (United States)

    Zhou, YE

    1993-01-01

    The energy transfer statistics measured in numerically simulated flows are found to be nearly self-similar for wavenumbers in the inertial range. Using the measured self-similar form, an 'ideal' energy transfer function and the corresponding energy flux rate were deduced. From this flux rate, the Kolmogorov constant was calculated to be 1.5, in excellent agreement with experiments.

  8. Chandra Independently Determines Hubble Constant

    Science.gov (United States)

    2006-08-01

    A critically important number that specifies the expansion rate of the Universe, the so-called Hubble constant, has been independently determined using NASA's Chandra X-ray Observatory. This new value matches recent measurements using other methods and extends their validity to greater distances, thus allowing astronomers to probe earlier epochs in the evolution of the Universe. "The reason this result is so significant is that we need the Hubble constant to tell us the size of the Universe, its age, and how much matter it contains," said Max Bonamente from the University of Alabama in Huntsville and NASA's Marshall Space Flight Center (MSFC) in Huntsville, Ala., lead author on the paper describing the results. "Astronomers absolutely need to trust this number because we use it for countless calculations." Illustration of Sunyaev-Zeldovich Effect Illustration of Sunyaev-Zeldovich Effect The Hubble constant is calculated by measuring the speed at which objects are moving away from us and dividing by their distance. Most of the previous attempts to determine the Hubble constant have involved using a multi-step, or distance ladder, approach in which the distance to nearby galaxies is used as the basis for determining greater distances. The most common approach has been to use a well-studied type of pulsating star known as a Cepheid variable, in conjunction with more distant supernovae to trace distances across the Universe. Scientists using this method and observations from the Hubble Space Telescope were able to measure the Hubble constant to within 10%. However, only independent checks would give them the confidence they desired, considering that much of our understanding of the Universe hangs in the balance. Chandra X-ray Image of MACS J1149.5+223 Chandra X-ray Image of MACS J1149.5+223 By combining X-ray data from Chandra with radio observations of galaxy clusters, the team determined the distances to 38 galaxy clusters ranging from 1.4 billion to 9.3 billion

  9. Hyperfine Constants for Low-Lying States in 137Ba+

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Relativistic many-body perturbation calculation is applied to calculate the hyperfine constants for the low-lying states 6S1/2, 6P1/2, 6P3/2, 5D3/2, and 5D5/2 in the alkaline earth ion 137Ba+. The zeroth-order hyperfine constants are calculated with Dirac-Fock wave functions, and the finite basis sets of the Dirac-Fock equation are constructed by B splines. With the finite basis sets, the core polarization and the correlation effect are calculated. The final results for magnetic dipole hyperfine a constants are obtained.

  10. Decay constants in geochronology

    Institute of Scientific and Technical Information of China (English)

    IgorM.Villa; PaulR.Renne

    2005-01-01

    Geologic time is fundamental to the Earth Sciences, and progress in many disciplines depends critically on our ability to measure time with increasing accuracy and precision. Isotopic geochronology makes use of the decay of radioactive nuclides as a help to quantify the histories of rock, minerals, and other materials. Both accuracy and precision of radioisotopic ages are, at present, limited by those of radioactive decay constants. Modem mass spectrometers can measure isotope ratios with a precision of 10-4 or better. On the other hand, the uncertainties associated with direct half-life determinations are, in most cases, still at the percent level. The present short note briefly summarizes progress and problems that have been encountered during the Working Group's activity.

  11. 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)

  12. 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.

  13. Estimation of Stability Constants of Complex Compounds

    Directory of Open Access Journals (Sweden)

    Raos, N.

    Full Text Available The stability constant of a complex generally depends on the electronic, stereochemical and steric factors, as well as on the chelate effect and interaction of the complex, metal and ligand with water. In the first part of the paper we discuss the Irving-Williams order of stability of bivalent transition metal ion complexes from Mn2+ to Zn2+, along with the HSAB model (hard and soft acids and bases of stability. The second part describes three kinds of models for the estimation of the stability constants of complex compounds. First are those based on molecular mechanics, which were used mainly for the estimation of the enantioselectivity effect, i. e. Gibbs energy differences between MLL and MDL isomers. The second kind of models are mechanistic, that rest on the presumption of linear dependence of measured stability constants of the complexes with the same ligand (stability constants of mono- and bis-complexes, protonation constants, etc.. The third kind of models are heuristic (QSPR, which encompass molecular descriptors calculated by the method of overlapping spheres (OS, as well as topological indices. Among the variety of topological indices, connectivity indices proved best. They were calculated for the ligand and various representations of the coordination compound structure.

  14. A revised and unified pressure-clamp/relaxation theory for studying plant cell water relations with pressure probes: in-situ determination of cell volume for calculation of volumetric elastic modulus and hydraulic conductivity.

    Science.gov (United States)

    Knipfer, T; Fei, J; Gambetta, G A; Shackel, K A; Matthews, M A

    2014-10-21

    The cell-pressure-probe is a unique tool to study plant water relations in-situ. Inaccuracy in the estimation of cell volume (νo) is the major source of error in the calculation of both cell volumetric elastic modulus (ε) and cell hydraulic conductivity (Lp). Estimates of νo and Lp can be obtained with the pressure-clamp (PC) and pressure-relaxation (PR) methods. In theory, both methods should result in comparable νo and Lp estimates, but this has not been the case. In this study, the existing νo-theories for PC and PR methods were reviewed and clarified. A revised νo-theory was developed that is equally valid for the PC and PR methods. The revised theory was used to determine νo for two extreme scenarios of solute mixing between the experimental cell and sap in the pressure probe microcapillary. Using a fully automated cell-pressure-probe (ACPP) on leaf epidermal cells of Tradescantia virginiana, the validity of the revised theory was tested with experimental data. Calculated νo values from both methods were in the range of optically determined νo (=1.1-5.0nL) for T. virginiana. However, the PC method produced a systematically lower (21%) calculated νo compared to the PR method. Effects of solute mixing could only explain a potential error in calculated νo of related to the solute reflection coefficient. This highlighted that treating the experimental cell as an ideal osmometer in both methods is potentially not correct. Effects of non-ideal osmotic behavior by transmembrane solute movement may be minimized in the PR as compared to the PC method.

  15. RNA structure and scalar coupling constants

    Energy Technology Data Exchange (ETDEWEB)

    Tinoco, I. Jr.; Cai, Z.; Hines, J.V.; Landry, S.M.; SantaLucia, J. Jr.; Shen, L.X.; Varani, G. [Univ. of California, Berkeley, CA (United States)

    1994-12-01

    Signs and magnitudes of scalar coupling constants-spin-spin splittings-comprise a very large amount of data that can be used to establish the conformations of RNA molecules. Proton-proton and proton-phosphorus splittings have been used the most, but the availability of {sup 13}C-and {sup 15}N-labeled molecules allow many more coupling constants to be used for determining conformation. We will systematically consider the torsion angles that characterize a nucleotide unit and the coupling constants that depend on the values of these torsion angles. Karplus-type equations have been established relating many three-bond coupling constants to torsion angles. However, one- and two-bond coupling constants can also depend on conformation. Serianni and coworkers measured carbon-proton coupling constants in ribonucleosides and have calculated their values as a function of conformation. The signs of two-bond coupling can be very useful because it is easier to measure a sign than an accurate magnitude.

  16. Large Capacity Constant Spring Support Hanger Design Optimization

    Institute of Scientific and Technical Information of China (English)

    HU Xian-wei

    2012-01-01

    This article discussed how to improve constant force performance of the large capacity constant spring support hangers. Large deviations have been found between product testing results and theoretical calculations after years of research and testing. The deviations mainly are caused by internal frictions inside the constant spring support hangers. By reducing or properly using internal frictions, consistent results between testing and theoretical calculation have been achieved. Based on product performance testing results recently, constant force performance of hangers has been improved greatly by adopting new methodology.

  17. The Interacting and Non-constant Cosmological Constant

    CERN Document Server

    Verma, Murli Manohar

    2009-01-01

    We propose a time-varying cosmological constant with a fixed equation of state, which evolves mainly through its interaction with the background during most of the long history of the universe. However, such interaction does not exist in the very early and the late-time universe and produces the acceleration during these eras when it becomes very nearly a constant. It is found that after the initial inflationary phase, the cosmological constant, that we call as lambda parameter, rolls down from a large constant value to another but very small constant value and further dominates the present epoch showing up in form of the dark energy driving the acceleration.

  18. Adelic Universe and Cosmological Constant

    OpenAIRE

    Makhaldiani, Nugzar

    2003-01-01

    In the quantum adelic field (string) theory models, vacuum energy -- cosmological constant vanish. The other (alternative ?) mechanism is given by supersymmetric theories. Some observations on prime numbers, zeta -- function and fine structure constant are also considered.

  19. Quantum Theory without Planck's Constant

    CERN Document Server

    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, which are dispensable. The precision of other fundamental constants is substantially improved by eliminating Planck's constant. The electron mass is determined about 67 times more precisely, and the unit of electric charge determined 139 times more precisely. Improvement in the experimental value of the fine structure constant allows new types of experiment to be compared towards finding "new physics." The long-standing goal of eliminating reliance on the artifact known as the International Prototype Kilogram can be accompl...

  20. 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...

  1. 40 CFR 86.519-90 - Constant volume sampler calibration.

    Science.gov (United States)

    2010-07-01

    ....15 °C (±0.27 °F) Pressure depression upstream of LFE EPI kPa (in. H2O) ±0.01 kPa (±0.05 in. H2O... pump inlet PTI °C ( °F) ±0.25 °C (±0.45 °F) Pressure depression at CVS pump inlet PPI kPa (in. Fluid... pump inlet depression (about 1.0 kPa (4 in. H2O)) that will yield a minimum of six data points for...

  2. 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...

  3. Theoretical and experimental investigation of methanol combustion under constant volume

    Energy Technology Data Exchange (ETDEWEB)

    Tatem, P.A.F.

    1984-01-01

    This work advances the area of zone modeling through the development of a five-zone theoretical model with time-incrementing capabilities to predict the results of burning liquid pool methanol fires in a gastight enclosure. The model consists of a liquid fuel bed, a developed flame above the fuel bed, a plume sitting on top of the flame, the enclosure walls, and an ambient gaseous medium existing between the enclosure walls and flame-plume boundaries. The model assumes chemical equilibrium to determine the energy available from the combusting fuel, and temperature-dependent equilibrium concentrations of the combustion products. Once the available energy has been dictated by the chemical equilibrium, the energy feedback occurring within each defined zone makes possible the prediction of the temperatures (ambient gas, flame, and plume), the mass evaporation rate of the fuel, and the total pressure and oxygen concentration within the enclosure. The physical effects of the oxygen concentration on a confined methanol fire were well established in this work through a comparison of the results from the enclosed model with model results from the same fire in the open.

  4. Elastic constants in a pseudomolecular approach for a mixed Maier-Saupe and Nehring-Saupe interaction law

    Science.gov (United States)

    Evangelista, L. R.; Hibler, I.; Mukai, H.

    1998-09-01

    A pseudomolecular approach is employed to calculate the elastic constants of a nematic liquid crystal by assuming an interaction volume of ellipsoidal shape. We consider a special kind of mixed Maier-Saupe and Nehring-Saupe interaction law characterized by a mixing factor ɛ. To ɛ=0 corresponds the Maier-Saupe law, whereas to the case ɛ=1 corresponds the induced dipole-induced dipole interaction law. The dependence of the elastic constants on the eccentricity of the molecular volume shape and on the mixing factor is investigated by means of a numerical analysis. We show that, for particular values of the eccentricity, the K11 (splay) and K33 (bend) elastic constants become negative for some values of the mixing factor. Moreover, the nonmonotonic behavior of the splay-bend elastic constant with respect to the mixing factor, already reported in a spherical approximation for the interaction volume, is also observed. This result reinforces the indication that the subsurface deformations, if any, are not only due to the splay-bend term.

  5. Pseudoscalar mesons in a finite cubic volume with twisted boundary conditions

    CERN Document Server

    Colangelo, Gilberto

    2016-01-01

    We study the effects of a finite cubic volume with twisted boundary conditions on pseudoscalar mesons. We first apply chiral perturbation theory in the p-regime and calculate the corrections for masses, decay constants, pseudoscalar coupling constants and form factors at next-to-leading order. We show that the Feynman-Hellmann theorem and the relevant Ward-Takahashi identity are satisfied. We then derive asymptotic formulae a la Luscher for twisted boundary conditions. We show that chiral Ward identities for masses and decay constants are satisfied by the asymptotic formulae in finite volume as a consequence of infinite-volume Ward identities. Applying asymptotic formulae in combination with chiral perturbation theory we estimate corrections beyond next-to-leading order for twisted boundary conditions.

  6. Pseudoscalar mesons in a finite cubic volume with twisted boundary conditions

    Science.gov (United States)

    Colangelo, Gilberto; Vaghi, Alessio

    2016-07-01

    We study the effects of a finite cubic volume with twisted boundary conditions on pseudoscalar mesons. We first apply chiral perturbation theory in the p-regime and calculate the corrections for masses, decay constants, pseudoscalar coupling constants and form factors at next-to-leading order. We show that the Feynman-Hellmann theorem and the relevant Ward-Takahashi identity are satisfied. We then derive asymptotic formulae à la Lüscher for twisted boundary conditions. We show that chiral Ward identities for masses and decay constants are satisfied by the asymptotic formulae in finite volume as a consequence of infinite-volume Ward identities. Applying asymptotic formulae in combination with chiral perturbation theory we estimate corrections beyond next-to-leading order for twisted boundary conditions.

  7. Modelling and simulation of multi-phase effects on X-ray elasticity constants

    Energy Technology Data Exchange (ETDEWEB)

    Freour, S.; Gloaguen, D.; Guillen, R. [Laboratoire d' Applications des Materiaux a la Mecanique (L.A.M.M.), L.A.M.M.-C.R.T.T., Boulevard de L' Universite, BP 406, 44602 Saint Nazaire Cedex (France); Francois, M. [Laboratoire des Systemes Mecaniques et d' Ingenierie Simultanee (L.A.S.M.I.S.), Universite de Technologie de Troyes, 12 Rue Marie Curie, BP 2060, 10010 Troyes (France)

    2003-10-01

    This paper deals with the calculation of X-ray Elasticity Constants (XEC) of phases embedded in multi-phase polycrystals. A three scales (macroscopic, pseudo-macroscopic, mesoscopic) model based on the classical self-consistent formalism is developed in order to analyse multi-phase effects on XEC values. Simulations are performed for cubic or hexagonal crystallographic structure phases embedded in several two-phases materials. In fact, it is demonstrated that XEC vary with the macroscopic stiffness of the whole polycrystal. In consequence, the constants of one particular phase depend on the elastic behaviour and the volume fraction of all the phases constituting the material. Now, XEC play a leading role in pseudo-macroscopic stresses determination by X-Ray Diffraction (XRD) methods. In this work, a quantitative analysis of the multi-phase effects on stresses determination by XRD methods was performed. Numerical results will be compared and discussed. (Abstract Copyright [2003], Wiley Periodicals, Inc.)

  8. Comoving suppression mechanism and cosmological constant problem

    OpenAIRE

    Shen, Jian Qi

    2004-01-01

    In this paper, we assume that the observer is fixed in a comoving frame of reference with $g_{00}=\\frac{\\lambda}{\\Lambda}$, where $\\lambda$ and $\\Lambda$ denote the comoving parameter and the cosmological constant, respectively. By using the {\\it comoving suppression mechanism} and {\\it Mach's principle} (the latter of which is used to determine the comoving parameter $\\lambda$), we calculate the vacuum energy density of quantum fluctuation field in the above-mentioned comoving frame of refer...

  9. Fine Structure Constant: Theme With Variations

    CERN Document Server

    Bezerra, V B; Muniz, C R; Tahim, M O; Vieira, H S

    2016-01-01

    In this paper, we study the spatial variation of the fine structure constant $\\alpha$ due to the presence of a static and spherically symmetric gravitational source. The procedure consists of calculating the solution including the energy eigenvalues of a massive scalar field around that source, considering the weak-field regimen, which yields the gravitational analog of the atomic Bohr levels. From this result, we obtain several values for the effective $\\alpha$ by considering some scenarios of semi-classical and quantum gravities. Constraints on the parameters of the involved theories are calculated from astrophysical observations of the white dwarf emission spectra. Such constraints are compared with those ones obtained in the literature.

  10. Graviton mass and cosmological constant: a toy model

    CERN Document Server

    Metaxas, Dimitrios

    2010-01-01

    I consider a simple model where the graviton mass and the cosmological constant depend on a scalar field with appropriate couplings and I calculate the graviton propagator and the induced effective action for the scalar field.

  11. Graviton mass and cosmological constant: a toy model

    OpenAIRE

    Metaxas, Dimitrios

    2010-01-01

    I consider a simple model where the graviton mass and the cosmological constant depend on a scalar field with appropriate couplings and I calculate the graviton propagator and the resulting effective action for the scalar field.

  12. Bubble growth constants for liquid hydrogen and liquid helium

    International Nuclear Information System (INIS)

    Bubble growth constants are calculated for liquid H2 and liquid He at various pressures and liquid superheats for spherically symmetric growth using Scrivens' solution (Chem. Eng. Sci.; 10 (1959)). The constants are shown to be applicable to bubble growth at a heated wall during boiling of cryogenic liquids. (author)

  13. Forward recursions and normalizing constant

    OpenAIRE

    Guyon, Xavier; Hardouin, Cécile

    2009-01-01

    Maximum likelihood parameter estimation is frequently replaced by various techniques because of its intractable normalizing constant. In the same way, the literature displays various alternatives for distributions involving such unreachable constants. In this paper, we consider a Gibbs distribution $\\pi $ and present a recurrence formula allowing a recursive calculus of the marginals of $\\pi $ and in the same time its normalizing constant$.$ The numerical performance of this algorithm is eval...

  14. Electrical installation calculations

    CERN Document Server

    Watkins, AJ

    2006-01-01

    Designed to provide a step by step guide to successful application of the electrical installation calculations required in day to day electrical engineering practice, the Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both apprentices and professional electrical installation engineers alike.Now in its seventh edition, Volume 1 has been fully updated to meet the requirements of the 2330 Level 2 Certificate in Electrotechnical Technology from City & Guilds, and will also prove a vi

  15. Basic constant of matter world

    International Nuclear Information System (INIS)

    It was analysed how to gain constant 46 hidden among elementary units of matter world, which is divided into, 1, 2, 4, 8, 16, 8, 4, 2, 1. Here it shows the unity of opposites on philosophy and simple symmetric beauty of mathphysics. The constant specifically shows that scope constant 44 in nuclides layer of matter world and chromosome number of mankind is 23 pairs, which is the highest form of matter motion, the basic cause of existing constant 46 is that matter exists in space-time with 4-dimensions, and it obeys the principle of the most lower energy

  16. Fundamental Nature of the Fine-Structure Constant

    OpenAIRE

    Sherbon, Michael A.

    2014-01-01

    Arnold Sommerfeld introduced the fine-structure constant that determines the strength of the electromagnetic interaction. Following Sommerfeld, Wolfgang Pauli left several clues to calculating the fine-structure constant with his research on Johannes Kepler's view of nature and Pythagorean geometry. The Laplace limit of Kepler's equation in classical mechanics, the Bohr-Sommerfeld model of the hydrogen atom and Julian Schwinger's research enable a calculation of the electron magne...

  17. 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.

  18. PWR refill-reflood analysis with experimental loop and calculation model. Pt. 2

    International Nuclear Information System (INIS)

    Equations for control volumes varying in the time have been applied. The bottom and length of the bubble and film boiling region in the core are specified by a correlation and time constant based on our measurements. The boiling volume is divided into two parts, saturated water and steam volume. The hydraulic processes are calculated to the average fuel rod, but for the temperatures also the hot rod is calculated. Some parameters have been determined by comparison of measured and calculated results. Sensitivity analyses were made for a PWR, and the hydraulic resistance of the pump (and water stopper evtl. in the loop) was found as the most important factor to ensure a sufficient reflood. (orig.)

  19. 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)

  20. SU(2) Low-Energy Constants from Mixed-Action Lattice QCD

    CERN Document Server

    Beane, S R; Junnarkar, P M; Luu, T C; Orginos, K; Parreno, A; Savage, M J; Torok, A; Walker-Loud, A

    2011-01-01

    An analysis of the pion mass and pion decay constant is performed using mixed-action Lattice QCD calculations with domain-wall valence quarks on ensembles of rooted, staggered n_f = 2+1 MILC configurations. Calculations were performed at two lattice spacings of b~0.125 fm and b~0.09 fm, at two strange quark masses, multiple light quark masses, and a number of lattice volumes. The ratios of light quark to strange quark masses are in the range 0.1 <= m_l / m_s <= 0.6, while pion masses are in the range 235 < m_\\pi < 680 MeV. A two-flavor chiral perturbation theory analysis of the Lattice QCD calculations constrains the Gasser-Leutwyler coefficients bar{l}_3 and bar{l}_4 to be bar{l}_3 = 4.04(40)(+73-55) and bar{l}_4 = 4.30(51)(+84-60). All systematic effects in the calculations are explored, including those from the finite lattice space-time volume, the finite lattice spacing, and the finite fifth dimension in the domain-wall quark action. A consistency is demonstrated between a chiral perturbation ...

  1. Spectrophotometric determination of association constant

    DEFF Research Database (Denmark)

    Spanget-Larsen, Jens

    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...

  2. Non-perturbative running of renormalization constants from correlators in coordinate space using step scaling

    CERN Document Server

    Cichy, Krzysztof; Korcyl, Piotr

    2016-01-01

    Working in a quenched setup with Wilson twisted mass valence fermions, we explore the possibility to compute non-perturbatively the step scaling function using the coordinate (X-space) renormalization scheme. This scheme has the advantage of being on-shell and gauge invariant. The step scaling method allows us to calculate the running of the renormalization constants of quark bilinear operators. We describe here the details of this calculation. The aim of this exploratory study is to identify the feasibility of the X-space scheme when used in small volume simulations required by the step scaling technique. Eventually, we translate our final results to the continuum MSbar scheme and compare against four-loop analytic formulae finding satisfactory agreement.

  3. 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.

  4. Variation of the fine structure constant

    CERN Document Server

    Lipovka, Anton A

    2016-01-01

    In present paper we evaluate the fine structure constant variation which should take place as the Universe is expanded and its curvature is changed adiabatically. This changing of the fine structure constant is attributed to the energy lost by physical system (consist of baryonic component and electromagnetic field) due to expansion of our Universe. Obtained ratio (d alpha)/alpha = 1. 10{-18} (per second) is only five times smaller than actually reported experimental limit on this value. For this reason this variation can probably be measured within a couple of years. To argue the correctness of our approach we calculate the Planck constant as adiabatic invariant of electromagnetic field, from geometry of our Universe in the framework of the pseudo- Riemannian geometry. Finally we discuss the double clock experiment based on Al+ and Hg+ clocks carried out by T. Rosenband et al. (Science 2008). We show that in this particular case there is an error in method and this way the fine structure constant variation c...

  5. The Elastic Constants for Wrought Aluminum Alloys

    Science.gov (United States)

    Templin, R L; Hartmann, E C

    1945-01-01

    There are several constants which have been devised as numerical representations of the behavior of metals under the action of loadings which stress the metal within the range of elastic action. Some of these constants, such as Young's modulus of elasticity in tension and compression, shearing modulus of elasticity, and Poisson's ratio, are regularly used in engineering calculations. Precise tests and experience indicate that these elastic constants are practically unaffected by many of the factors which influence the other mechanical properties of materials and that a few careful determinations under properly controlled conditions are more useful and reliable than many determinations made under less favorable conditions. It is the purpose of this paper to outline the methods employed by the Aluminum Research Laboratories for the determination of some of these elastic constants, to list the values that have been determined for some of the wrought aluminum alloys, and to indicate the variations in the values that may be expected for some of the commercial products of these alloys.

  6. 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 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 , 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 r 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 hyperbolicity constant in time O (n2:688). We also provide an exact algorithm to compute the hyperbolicity constant 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.

  7. Calculation and Analysis of Lumped Parameter of Volume Conduction Model%体导电能量传递模型集总参数的计算与分析

    Institute of Scientific and Technical Information of China (English)

    刘海龙; 唐治德; 谢小慧; 陈小梅

    2012-01-01

    研究生物医学体内植入器件能量供应优化方法,为了优化体导电系统效能,利用皮肤电特性高效地向体内植入器件提高能量.提出体导电能量传递系统体外采用圆形柱体阵列电极,将皮肤电极单元等效为多导体系统,建立了流经各电极的电流与电压的导纳矩阵关系,并用欧姆定律与电磁场原理相结合的方法计算出皮肤电极单元的集总参数.通过比较集总参数,得到圆形柱体阵列电极较圆形柱体电极具有更优的阻抗分配,能够提高体导电电流传递效率.利用有限元软件仿真了圆形柱体阵列电极皮肤单元的电流传递,证明效率能达50%以上.%In order to optimize Volume Conduction system, we used the electrical characteristics of skin to transfer energy to the implanted device efficiently, treated the skin-electrodes of volume conductive as multi-conductor sys-tem , and established the admittance matrix to show the relationship between voltage and current. Ohm's law and elec-tromagnetic field theory were used to calculate the lumped parameter of skin-electrodes unit. Through comparing cir-cular cylinder electrode with circular cylinder arrenging-electrodes' lumped parameter, it can be concluded that cir-cular cylinder arranging-electrodes has better impedance distribution, higher energy transfer efficiency. Finally, fi-nite element software FEMlab3.3 was used to simulate the efficiency of circular cylinder array electrode-skin unit, and it can reach above 50%.

  8. Varying constants, Gravitation and Cosmology

    CERN Document Server

    Uzan, Jean-Philippe

    2010-01-01

    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. It is thus of utmost importance for our understanding of gravity and of the domain of validity of general relativity to test for their constancy. We thus 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, meteorites 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 describ...

  9. Fundamental Constants and Conservation Laws

    OpenAIRE

    Roh, Heui-Seol

    2001-01-01

    This work describes underlying features of the universe such as fundamental constants and cosmological parameters, conservation laws, baryon and lepton asymmetries, etc. in the context of local gauge theories for fundamental forces under the constraint of the flat universe. Conservation laws for fundamental forces are related to gauge theories for fundamental forces, their resulting fundamental constants are quantitatively analyzed, and their possible violations at different energy scales are...

  10. Inflation and the cosmological constant

    Directory of Open Access Journals (Sweden)

    FENG Chaojun

    2014-08-01

    Full Text Available By assuming the cosmological “constant” is no longer a constant during the inflation epoch,it is found that the cosmological constant fine-tuning problem is solved.In the meanwhile,inflation models could predict a large tensor-to-scalar ratio,correct power spectral index and a larger running of it.Furthermore,the e-folding number is large enough to overcome the horizon,flatness problems in the Big Bang cosmology.

  11. Prediction of Shanmei Reservoir Region's Pollution Status and Calculation of Pollution Volume into Reservoir in 2011%山美库区2011年污染物预测与入库量计算

    Institute of Scientific and Technical Information of China (English)

    林加兴

    2011-01-01

    针对山美水库库区污染物问题,对库区2011年污染物入库量进行初步计算得出流域污染物入库量及主要污染源,建议采取工程治理措施和非工程措施相结合的方法削减入库污染负荷,供山美水库流域水源地水污染防治实施参考。并能通过实施水生态系统保护与修复技术工程的建设,解决目前危害水源地安全的重大问题,推动山美水库水源地保护工作的全面开展。%Aimed at the pollutant discharge status of Shanmei Reservoir, the pollutant volume into the reservoir area in 2011 is calculated primarily, and some problems about the basin pollution are put forward, then the suggestions are proposed that the methods combining the engineering measures with non-engineering measures are used for reducing the pollution load into the reservoir, which could provide references for the reservoir's water resource pollution controlling. At the same time, through carrying out the aquatic ecosystem protection and remedying project, the serious problems of harming the security of water sources could be solved, and the water source protection job for Shamnei Reservoir could be promoted comprehensively.

  12. 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.

  13. Varying Constants, Gravitation and Cosmology

    Science.gov (United States)

    Uzan, Jean-Philippe

    2011-12-01

    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.

  14. 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.

  15. From the Rydberg constant to the fundamental constants metrology

    International Nuclear Information System (INIS)

    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.)

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

    Science.gov (United States)

    de Cesare, Marco; Lizzi, Fedele; Sakellariadou, Mairi

    2016-09-01

    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.

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

    CERN Document Server

    de Cesare, Marco; Sakellariadou, Mairi

    2016-01-01

    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.

  18. 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

  19. How fundamental are fundamental constants?

    Science.gov (United States)

    Duff, M. J.

    2015-01-01

    I argue that the laws of physics should be independent of one's choice of units or measuring apparatus. This is the case if they are framed in terms of dimensionless numbers such as the fine structure constant, ?. For example, the standard model of particle physics has 19 such dimensionless parameters whose values all observers can agree on, irrespective of what clock, rulers or scales? they use to measure them. Dimensional constants, on the other hand, such as ?, c, G, e and k ?, are merely human constructs whose number and values differ from one choice of units to the next. In this sense, only dimensionless constants are 'fundamental'. Similarly, the possible time variation of dimensionless fundamental 'constants' of nature is operationally well defined and a legitimate subject of physical enquiry. By contrast, the time variation of dimensional constants such as ? or ? on which a good many (in my opinion, confusing) papers have been written, is a unit-dependent phenomenon on which different observers might disagree depending on their apparatus. All these confusions disappear if one asks only unit-independent questions. We provide a selection of opposing opinions in the literature and respond accordingly.

  20. How fundamental are fundamental constants?

    CERN Document Server

    Duff, M J

    2014-01-01

    I argue that the laws of physics should be independent of one's choice of units or measuring apparatus. This is the case if they are framed in terms of dimensionless numbers such as the fine structure constant, alpha. For example, the Standard Model of particle physics has 19 such dimensionless parameters whose values all observers can agree on, irrespective of what clock, rulers, scales... they use to measure them. Dimensional constants, on the other hand, such as h, c, G, e, k..., are merely human constructs whose number and values differ from one choice of units to the next. In this sense only dimensionless constants are "fundamental". Similarly, the possible time variation of dimensionless fundamental "constants" of nature is operationally well-defined and a legitimate subject of physical enquiry. By contrast, the time variation of dimensional constants such as c or G on which a good many (in my opinion, confusing) papers have been written, is a unit-dependent phenomenon on which different observers might...

  1. First-principle calculations of thermodynamic properties of ZrC and ZrN at high pressures and high temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Abdollahi, Arash, E-mail: arash_abdollahi60@yahoo.com [Department of Physics, Faculty of Science, Urmia Branch, Islamic Azad University, Urmia (Iran, Islamic Republic of)

    2013-02-01

    Ab initio calculations for the thermal properties of ZrC and ZrN have been performed by using the projector augmented-wave (PAW) method within the generalized gradient approximation (GGA). Pressure-temperature-dependent thermodynamic properties including the bulk modulus, thermal expansion, thermal expansion coefficient, heat capacity at constant volume and constant pressure were calculated using three different models based on the quasi-harmonic approximation (QHA): the Debye-Slater model, Debye-Grueneisen model and full quasi-harmonic model (that requires the phonon density of states at each calculated volume). Also the empirical energy corrections are applied to the results of three models. The calculated values are in good agreement with experimental results. It is found that the full quasi-harmonic model provides more accurate estimates in comparison with the other models.

  2. First-principle calculations of thermodynamic properties of ZrC and ZrN at high pressures and high temperatures

    International Nuclear Information System (INIS)

    Ab initio calculations for the thermal properties of ZrC and ZrN have been performed by using the projector augmented-wave (PAW) method within the generalized gradient approximation (GGA). Pressure-temperature-dependent thermodynamic properties including the bulk modulus, thermal expansion, thermal expansion coefficient, heat capacity at constant volume and constant pressure were calculated using three different models based on the quasi-harmonic approximation (QHA): the Debye-Slater model, Debye-Grüneisen model and full quasi-harmonic model (that requires the phonon density of states at each calculated volume). Also the empirical energy corrections are applied to the results of three models. The calculated values are in good agreement with experimental results. It is found that the full quasi-harmonic model provides more accurate estimates in comparison with the other models.

  3. Explosive helium burning at constant pressures

    Science.gov (United States)

    Hashimoto, M.-A.; Hanawa, T.; Sugimoto, D.

    The results of numerical calculations of nucleosynthesis under adiabatic conditions, i.e., when the only heat exchange with the external regions takes place through neutrinos, are reported. Attention is focused on explosive burning associated with shell flashes, assuming that nuclear energy is deposited in a mass element, followed by expansion and density decrease. Consideration is given to three cases, the shell flash near the surface of a degenerate star, to nuclear burning concentrated in a small region of a star, and to the heat energy being deposited in intermediate layers. A reaction network of 181 nuclear species was constructed and the thermodynamic evolution was calculated assuming constant pressure and adiabatic conditions. The final products of the reactions of H-1 to Cu-62 were projected to by O-16, Mg-24, Si-28, S-32, Ca-40, Ti-44, Cr-48, and Fe-52.

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

    DEFF Research Database (Denmark)

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

    2011-01-01

    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...

  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. Stability constants for silicate adsorbed to ferrihydrite

    DEFF Research Database (Denmark)

    Hansen, Hans Christian Bruun; Wetche, T.P.; Raulund-Rasmussen, Karsten;

    1994-01-01

    required days-weeks, both reactions probably being diffusion controlled. Applying the values for specific surface area and site densities for ferrihydrite used by Dzombak & Morel (1990) (600 m2 g-1, 3.4 mumole m-2) the constants pK(al)intr 6.93 +/- 0.12, pK(a2)intr = 8.72 +/- 0.17 and log K(Si) = 3.62 were...... calculated by using the FITEQL optimization routine. Use of the specific surface area actually measured (269 m2 g-1) gave a poorer fit of the experimental data. Due to the slow adsorption of silicate and hence long shaking times, changes in the surface characteristics of the ferrihydrite seem to take place......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...

  7. Mirror QCD and Cosmological Constant

    CERN Document Server

    Pasechnik, Roman; Teryaev, Oleg

    2016-01-01

    An analog of Quantum Chromo Dynamics (QCD) sector known as mirror QCD (mQCD) can affect the cosmological evolution and help in resolving the Cosmological Constant problem. In this work, we explore an intriguing possibility for a compensation of the negative QCD vacuum contribution to the ground state energy density of the universe by means of a positive contribution from the chromomagnetic gluon condensate in mQCD. The trace anomaly compensation condition and the form of the 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.

  8. Elastic constants for 8-OCB

    Science.gov (United States)

    Czechowski, Grzegorz; Zywucki, B.; Jadzyn, Jan

    1993-10-01

    The Frederiks transitions for the n-octyloxycyanobiphenyl (8-OCB) placed in the external magnetic and electric field as a function of the temperature have been studied. On the basis of threshold values Bc and Uc, the elastic constants for splay, bend and twist modes are determined. The magnetic anisotropy of 8-OCB as a function of temperature has been determined. The K11 and K33 elastic constants show the pretransitional nematic- smectic A effect. The values of critical exponents obtained from the temperature dependence of K11 and K33 in the vicinity of N-SA phase transition are discussed.

  9. 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.

  10. Tunelling with a negative cosmological constant

    CERN Document Server

    Gibbons, G W

    1996-01-01

    The point of this paper is 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 univeres. 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 four manifold. We raise the questions of whether the action also increases with the topological complexity of the initial 3-geometry, measured either by its three 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 ...

  11. First-Principles Calculations of Elastic and Thermal Properties of Molybdenum Disilicide

    Institute of Scientific and Technical Information of China (English)

    ZHU Zun-Lue; FU Hong-Zhi; SUN Jin-Feng; LIU Yu-Fang; SHI De-Heng; XU Guo-Liang

    2009-01-01

    The first-principles plane-wave pseudopotential method using the generalized gradient approximation within the framework of density functional theory is applied to anaylse the equilibrium lattice parameters,six independent elastic constants,bulk moduli,thermal expansions and heat capacities of MoSi2.The quasi-harmonic Debye model,using a set of total energy versus cell volume obtained with the plane-wave pseudopotential method,is applied to the study of the elastic properties,thermodynamic properties and vibrational effects.The calculated zero pressure elastic constants are in overall good agreement with the experimental data.The calculated heat capacities and the thermal expansions agree well with the observed values under ambient conditions and those calculated by others.The results show that the temperature has hardly any effect under high pressure.

  12. Reliability Calculations

    DEFF Research Database (Denmark)

    Petersen, Kurt Erling

    1986-01-01

    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...... complex systems. In order to increase the applicability of the programs variance reduction techniques can be applied to speed up the calculation process. Variance reduction techniques have been studied and procedures for implementation of importance sampling are suggested....

  13. Lattice constant in diluted magnetic semiconductors (Ga,Mn)As

    OpenAIRE

    J. Masek; Kudrnovsky, J.; Maca, F.

    2003-01-01

    We use the density-functional calculations to investigate the compositional dependence of the lattice constant of (Ga,Mn)As containing various native defects. The lattice constant of perfect mixed crystals does not depend much on the concentration of Mn. The lattice parameter increases if some Mn atoms occupy interstitial positions. The same happens if As antisite defects are present. A quantitative agreement with the observed compositional dependence is obtained for materials close to a comp...

  14. 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)

  15. Ostwald ripening in a system with a high volume fraction of coarsening phase

    Science.gov (United States)

    Hardy, S. C.; Voorhees, P. W.

    1988-01-01

    The coarsening of Sn-rich and Pb-rich solid phases in contact with eutectic liquid in the volume fraction solid range above approximately 0.6, where the development of a solid skeletal structure inhibits sedimentation, is investigated. Particle intercept distributions are shown to be time independent when scaled by the average intercept. It is noted that the coarsening rate constants obtained exceed the values calculated from theory by factors ranging from about 2 to 5.

  16. On constant elasticities of demand

    OpenAIRE

    Andrés Vázquez

    1998-01-01

    While the Slutsky matrix and duality theory have been used to establish that constant elasticity demand functions imply unitary income elasticities, zero cross price elasticities and own price elasticities equal to minus one, this note shows that these results can also be straightforwardly derived from the simple assumption that demand functions satisfy the budget constraint with strict equality.

  17. Proceedings of the specialists' meeting on reactor group constants

    International Nuclear Information System (INIS)

    This report is the Proceedings of the Specialists' Meeting on Reactor Group Constants. The meeting was held on February 22-23, 2001 at Tokai Research Establishment of Japan Atomic Energy Research Institute with the participation of 59 specialists. The evaluation work for JENDL-3.3 is going on for the publication in a short time. The processing JENDL-3.3 file to make reactor group constants is needed when it is used in application fields. In the meeting, the present status of the reactor group constants was reviewed and the issues relating to them were discussed in such fields as thermal reactor, criticality safety, fast reactor, high energy region, burn-up calculation and radiation shielding. At the final session in the meeting, standardization of reactor group constants was discussed and the need of the reference group constants was confirmed by the participants. The 11 of the presented papers are indexed individually. (J.P.N.)

  18. An N-tropic Solution to the Cosmological Constant Problem

    CERN Document Server

    Sheikh-Jabbari, M M

    2008-01-01

    Based on the assertion that the cosmological constant problem is essentially a quantum gravity problem, the framework which addresses the cosmological constant problem should also bear a picture for the ``quantum space-time''. In this talk in an attempt to address the cosmological constant problem I suggest to start with noncommutative fuzzy spheres as the toy model for the quantum space-time. In this setting, we show that the cosmological constant problem may be resolved due to the noncommutativity and ``fuzziness'' of the space and the fact that the smallest volume which could be measured in the a quantum space-time is much larger than the naively expected Planckian size. This talk is based on Ref.[1] which has appeared on the arXiv as hep-th/0605110.

  19. The 1% concordance Hubble constant

    Energy Technology Data Exchange (ETDEWEB)

    Bennett, C. L.; Larson, D.; Weiland, J. L. [Johns Hopkins University, 3400 North Charles Street, Baltimore, MD 21218 (United States); Hinshaw, G., E-mail: cbennett@jhu.edu [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC V6T 1Z1 (Canada)

    2014-10-20

    The determination of the Hubble constant has been a central goal in observational astrophysics for nearly a hundred years. Extraordinary progress has occurred in recent years on two fronts: the cosmic distance ladder measurements at low redshift and cosmic microwave background (CMB) measurements at high redshift. The CMB is used to predict the current expansion rate through a best-fit cosmological model. Complementary progress has been made with baryon acoustic oscillation (BAO) measurements at relatively low redshifts. While BAO data do not independently determine a Hubble constant, they are important for constraints on possible solutions and checks on cosmic consistency. A precise determination of the Hubble constant is of great value, but it is more important to compare the high and low redshift measurements to test our cosmological model. Significant tension would suggest either uncertainties not accounted for in the experimental estimates or the discovery of new physics beyond the standard model of cosmology. In this paper we examine in detail the tension between the CMB, BAO, and cosmic distance ladder data sets. We find that these measurements are consistent within reasonable statistical expectations and we combine them to determine a best-fit Hubble constant of 69.6 ± 0.7 km s{sup –1} Mpc{sup –1}. This value is based upon WMAP9+SPT+ACT+6dFGS+BOSS/DR11+H {sub 0}/Riess; we explore alternate data combinations in the text. The combined data constrain the Hubble constant to 1%, with no compelling evidence for new physics.

  20. WHY IS THE SOLAR CONSTANT NOT A CONSTANT?

    International Nuclear Information System (INIS)

    In order to probe the mechanism of variations of the solar constant on the inter-solar-cycle scale, the total solar irradiance (TSI; the so-called solar constant) in the time interval of 1978 November 7 to 2010 September 20 is decomposed into three components through empirical mode decomposition and time-frequency analyses. The first component is the rotation signal, counting up to 42.31% of the total variation of TSI, which is understood to be mainly caused by large magnetic structures, including sunspot groups. The second is an annual-variation signal, counting up to 15.17% of the total variation, the origin of which is not known at this point in time. Finally, the third is the inter-solar-cycle signal, counting up to 42.52%, which is inferred to be caused by the network magnetic elements in quiet regions, whose magnetic flux ranges from (4.27-38.01) × 1019 Mx.

  1. 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

  2. Larson-Miller Constant of Heat-Resistant Steel

    Science.gov (United States)

    Tamura, Manabu; Abe, Fujio; Shiba, Kiyoyuki; Sakasegawa, Hideo; Tanigawa, Hiroyasu

    2013-06-01

    Long-term rupture data for 79 types of heat-resistant steels including carbon steel, low-alloy steel, high-alloy steel, austenitic stainless steel, and superalloy were analyzed, and a constant for the Larson-Miller (LM) parameter was obtained in the current study for each material. The calculated LM constant, C, is approximately 20 for heat-resistant steels and alloys except for high-alloy martensitic steels with high creep resistance, for which C ≈ 30 . The apparent activation energy was also calculated, and the LM constant was found to be proportional to the apparent activation energy with a high correlation coefficient, which suggests that the LM constant is a material constant possessing intrinsic physical meaning. The contribution of the entropy change to the LM constant is not small, especially for several martensitic steels with large values of C. Deformation of such martensitic steels should accompany a large entropy change of 10 times the gas constant at least, besides the entropy change due to self-diffusion.

  3. Rapid estimate of solid volume in large tuff cores using a gas pycnometer

    International Nuclear Information System (INIS)

    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 cm3 with less than 1% error

  4. LDA+ U calculation of structural and thermodynamic properties of Ce2O3

    Science.gov (United States)

    Zhu, Bo; Cheng, Yan; Niu, Zhen-Wei; Zhou, Meng; Gong, Min

    2014-08-01

    We investigated the structure and thermodynamic properties of the hexagonal Ce2O3 by using LDA+ U scheme in the frame of density functional theory (DFT), together with the quasi-harmonic Debye model. The obtained lattice constants, bulk modulus, and the insulating gap agree well with the available experimental data. We successfully yielded the temperature dependence of bulk modulus, volume, thermal expansion coefficient, Debye temperature, specific heat as well as the entropy at different U values. It is found that the introduction of the U value cannot only correct the calculation of the structure but also improve the accurate description of the thermodynamic properties of Ce2O3. When U = 6 eV the calculated volume (538 Bohr3) at 300 K agrees well with the experimental value (536 Bohr3). The calculated entropy curve becomes more and more close to the experimental curve with the increasing U value.

  5. Leptonic decay-constant ratio $f_K/f_\\pi$ from clover-improved $N_f=2+1$ QCD

    CERN Document Server

    Scholz, Enno E

    2016-01-01

    The leptonic decay-constant ratio $f_K/f_\\pi$ is calculated from lattice-QCD simulations using $N_f=2+1$ dynamical fermion flavors in the clover-improved formulation and 2-HEX smearing. The simulations were performed for a range of mass-degenerate light quarks including the physical point and at various lattice couplings and volumes, allowing to quantify all relevant sources of systematic uncertainties for our final number of the decay-constant ratio. Utilizing input from chiral perturbation theory, we also quote the charged decay-constant ratio $f_{K^\\pm}/f_{\\pi^\\pm}$. With further input from super-allowed nuclear $\\beta$-decays, eventually we obtain an estimate for the CKM-matrix element $V_{\\rm us}$.

  6. Wormholes and the cosmological constant

    International Nuclear Information System (INIS)

    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. (orig.)

  7. Quaternions as astrometric plate constants

    Science.gov (United States)

    Jefferys, William H.

    1987-01-01

    A new method for solving problems in relative astrometry is proposed. In it, the relationship between the measured quantities and the components of the position vector of a star is modeled using quaternions, in effect replacing the plate constants of a standard four-plate-constant solution with the four components of a quaternion. The method allows a direct solution for the position vectors of the stars, and hence for the equatorial coordinates. Distortions, magnitude, and color effects are readily incorporated into the formalism, and the method is directly applicable to overlapping-plate problems. The advantages of the method include the simplicity of the resulting equations, their freedom from singularities, and the fact that trigonometric functions and tangential point transformations are not needed to model the plate material. A global solution over the entire sky is possible.

  8. Three pion nucleon coupling constants

    Science.gov (United States)

    Ruiz Arriola, E.; Amaro, J. E.; Navarro Pérez, R.

    2016-08-01

    There exist four pion nucleon coupling constants, fπ0pp, ‑ fπ0nn, fπ+pn/2 and fπ‑np/2 which coincide when up and down quark masses are identical and the electron charge is zero. While there is no reason why the pion-nucleon-nucleon coupling constants should be identical in the real world, one expects that the small differences might be pinned down from a sufficiently large number of independent and mutually consistent data. Our discussion provides a rationale for our recent determination fp2 = 0.0759(4),f 02 = 0.079(1),f c2 = 0.0763(6), based on a partial wave analysis of the 3σ self-consistent nucleon-nucleon Granada-2013 database comprising 6713 published data in the period 1950-2013.

  9. Three pion nucleon coupling constants

    CERN Document Server

    Arriola, E Ruiz; Perez, R Navarro

    2016-01-01

    There exist four pion nucleon coupling constants, $f_{\\pi^0, pp}$, $-f_{\\pi^0, nn}$, $f_{\\pi^+, pn} /\\sqrt{2}$ and $ f_{\\pi^-, np} /\\sqrt{2}$ which coincide when up and down quark masses are identical and the electron charge is zero. While there is no reason why the pion-nucleon-nucleon coupling constants should be identical in the real world, one expects that the small differences might be pinned down from a sufficiently large number of independent and mutually consistent data. Our discussion provides a rationale for our recent determination $$f_p^2 = 0.0759(4) \\, , \\quad f_{0}^2 = 0.079(1) \\,, \\quad f_{c}^2 = 0.0763(6) \\, , $$ based on a partial wave analysis of the $3\\sigma$ self-consistent nucleon-nucleon Granada-2013 database comprising 6713 published data in the period 1950-2013.

  10. Time-Varying Fundamental Constants

    Science.gov (United States)

    Olive, Keith

    2003-04-01

    Recent data from quasar absorption systems can be interpreted as arising from a time variation in the fine-structure constant. However, there are numerous cosmological, astro-physical, and terrestrial bounds on any such variation. These includes bounds from Big Bang Nucleosynthesis (from the ^4He abundance), the Oklo reactor (from the resonant neutron capture cross-section of Sm), and from meteoretic lifetimes of heavy radioactive isotopes. The bounds on the variation of the fine-structure constant are significantly strengthened in models where all gauge and Yukawa couplings vary in a dependent manner, as would be expected in unified theories. Models which are consistent with all data are severly challenged when Equivalence Principle constraints are imposed.

  11. Ab initio calculations of phonon dispersion and lattice dynamics in TlGaTe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Jafarova, Vusala; Orudzhev, Guseyn; Alekperov, Oktay; Mamedov, Nazim; Abdullayev, Nadir; Najafov, Arzu [Institute of Physics (Innovation Sector), 33 H. Javid ave, Baku 1143 (Azerbaijan); Paucar, Raul [Institute of Physics (Innovation Sector), 33 H. Javid ave, Baku 1143 (Azerbaijan); Chiba Institute of Technology, 2-17-1 Tsudanuma, Narashino, Chiba 275-0016 (Japan); Shim, YongGu [Osaka Prefecture University, 1-1 Gakuen-cho, Naka-ku, Sakai, Osaka 599-8531 (Japan); Wakita, Kazuki [Chiba Institute of Technology, 2-17-1 Tsudanuma, Narashino, Chiba 275-0016 (Japan)

    2015-06-15

    This work reports the results of DFT-based calculations of phonon spectra of TlGaTe{sub 2}. The dispersion of phonon bands was calculated along the directions of Brillouin zone (BZ) that include symmetry points. The calculated phonon frequencies at the centre of BZ were compared with those obtained by Raman spectroscopy with the aid of a confocal laser microscopy system. A fairly good agreement between the calculated and experimental data was found. Complimentary, molar heat capacity at constant volume and Debye temperature were calculated in the range 5/500 K on the base of the obtained phonon density of states. The obtained temperature dependencies were compared with available experimental data.The results of comparison were satisfactory. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. Henry's law constants of polyols

    OpenAIRE

    Compernolle, S.; J.-F. Müller

    2014-01-01

    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....

  13. Henry's law constants of polyols

    OpenAIRE

    Compernolle, S.; J.-F. Müller

    2014-01-01

    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. Depending on the case, infinite dilution activity coefficients (IDACs), solid state pressures or activity coefficient ratios are obtained as intermediary results. For most compounds, these are the first values reported, while others compare favourably with literature data in most ...

  14. Cosmology with New Astrophysical Constants

    CERN Document Server

    Alfonso-Faus, Antonio

    2008-01-01

    It is shown that Einstein field equations give two solutions for cosmology. The first one is the standard well known representative of the present status of cosmology. We identify it with the local point of view of a flat Universe with the values for the cosmological omega parameters (k = 0, lambda = 2/3, m = 1/3). The second one is a new one that we identify with a cosmic point of view, as given by free photons, neutrinos, tachyons and gravity quanta. We apply a wave to particle technique to find the matter propagation equation. Then we prove that all gravitational radii are constant, regardless of the possible time variations of the physical properties like the speed of light c, the gravitational constant G or the mass m of fundamental particles. We find two cosmological constants, c^3 /G and mc, with the condition that the field equations be derived from the action principle. With this result, and the integration of the Bianchi identity, we prove the existence of the two solutions for cosmology. We then va...

  15. Computational study on Kerr constants of neutral and ionized gases

    Science.gov (United States)

    Sato, M.; Kumada, A.; Hidaka, K.

    2015-08-01

    In order to quantitatively examine the measurement capability of Poisson's field using electro-optic Kerr-effect (EOKE), Kerr constants of neutral molecules and ions are examined by means of first principle calculations. We have systematically computed Kerr constants of neutral molecules and ions of several molecular symmetry groups, with consistent theory level and basis sets. Computed Kerr constants of neutral molecules (N2, CO2, SF6, and CF3I) ranging across two orders of magnitudes are within 50% error of the experimental values, which are comparable to the scattering between experimental values itself. The results show that SF6 has smaller Kerr constant due to its high molecular symmetry compared to those of N2 and CO2. In contrast, CF3I has large Kerr constant due to its permanent dipole. Computed Kerr constants for anions are larger by two orders of magnitude than those of neutral molecules, probably due to the shielding effect. For cations, the opposite holds true; however, due to anisotropic polarizability, computed Kerr constants for some cations are comparable to neutral molecules, while others show smaller values. The ratio of Kerr constants of ions to those of neutral molecules are at most 102; EOKE is valid for measuring electric field in weakly ionized gas whose ionization degree is smaller than 10-3.

  16. Ab-initio first principles calculations on Half-Heusler NiYSn (Y=Zr, Hf) compounds. Structural, lattice dynamical and thermodynamical properties

    International Nuclear Information System (INIS)

    The structural and lattice dynamical properties of the Half-Heusler NiYSn (Y=Zr, Hf) compounds, that have been investigated using the ab-initio density-functional theory within the generalized gradient approximation. In particularly, some basic physical parameters such as lattice constant, bulk modulus and its first derivatives, elastic constants, shear modulus, Young's modulus, and Poison's ratio are calculated in the ground state configuration. The calculated elastic constants and the related sound velocities and Debye temperatures are also presented. The computed phonon dispersion curves based on the linear response method are predicted. Some thermodynamical properties such as free energy, entropy an heat capacity at constant volume are also estimated and interpreted for the first time

  17. 离心泵叶轮全流道非定常数值计算及粒子图像测速试验%Unsteady constant value calculation and particle image velocimetry experiment in full passages of centrifugal pump impeller

    Institute of Scientific and Technical Information of China (English)

    代翠; 董亮; 刘厚林; 孔繁余; 王凯

    2013-01-01

    goal, mainly due to the limitation of the test conditions. So, there was improving space in flow measurement for all flow passages of a centrifugal pump impeller. On the other hand, most of numerical results were usually validated by performance test, which was worth further verification through the PIV test. In this study, a special PIV system and a shrouded centrifugal pump impeller were designed and then the flow performance inside six rotating passages of the pump was detailedly measured using the PIV. The absolute velocity and relative velocity fields of six passages in an impeller were successfully measured under different working conditions. Relative velocity fields were also computed with the standard k-εturbulence model of three-dimensional Reynolds-averaged Navier-Stokes equations and a commercial solver fluent software was used to divide grids. The unsteady constant value calculation results were confirmed by the performance experiment, the maximum error of head was only 4.62% with allowable acceptance. From the velocity and relative velocity measurements, the different flow patterns in the two passages near the tongue and the other passages were revealed. At the flow passage close to the tongue, the absolute velocity was reduced with the increasing of the flow rate since vortex, or backflow appeared at the zone. At larger flow rate, the relative velocity at the passage close to tongue was significantly larger than that at the other passages. The flow field distribution showed more obvious differences apart from design conditions. And there existed dead zone whose relative velocity was small at the two passages near the tongue, and its area was increased with the increase of flow rate. The results showed that relative velocity distribution trend of numerical calculation and experimental results under design conditions was in agreement, and relative velocity value of that was different. The study demonstrates that the PIV technique is efficient method to

  18. Burnout calculation

    International Nuclear Information System (INIS)

    Reviewed is the effect of heat flux of different system parameters on critical density in order to give an initial view on the value of several parameters. A thorough analysis of different equations is carried out to calculate burnout is steam-water flows in uniformly heated tubes, annular, and rectangular channels and rod bundles. Effect of heat flux density distribution and flux twisting on burnout and storage determination according to burnout are commended

  19. 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.

  20. 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.

  1. Dimensionless constants, cosmology and other dark matters

    CERN Document Server

    Tegmark, M; Rees, M; Wilczek, F; Tegmark, Max; Aguirre, Anthony; Rees, Martin; Wilczek, Frank

    2006-01-01

    We identify 31 dimensionless physical constants required by particle physics and cosmology, and emphasize that both microphysical constraints and selection effects might help elucidate their origin. Axion cosmology provides an instructive example, in which these two kinds of arguments must both be taken into account, and work well together. If a Peccei-Quinn phase transition occurred before or during inflation, then the axion dark matter density will vary from place to place with a probability distribution. By calculating the net dark matter halo formation rate as a function of all four relevant cosmological parameters and assessing other constraints, we find that this probability distribution, computed at stable solar systems, is arguably peaked near the observed dark matter density. If cosmologically relevant WIMP dark matter is discovered, then one naturally expects comparable densities of WIMPs and axions, making it important to follow up with precision measurements to determine whether WIMPs account for ...

  2. More on Lensing by a Cosmological Constant

    CERN Document Server

    Ishak, Mustapha; Dossett, Jason

    2008-01-01

    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 $\\Lambda$ bending clearly takes place, and where it is clearly neither a coordinate effect nor an aberration effect, as has been claimed in some of these papers. We then show that in some recent works using perturbation theory the $\\Lambda$ contribution was missed because of initial too-stringent smallness assumptions. Namely: Our method has been to insert a Kottler (Schwarzschild with $\\Lambda$) vacuole into a Friedman 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 $\\Lambda$ bending continues throughout the vacuole. Thus if one deliberately restricts one's search for $\\Lambda$ bending to the immediate neighbor...

  3. String Phenomenology and the Cosmological Constant

    CERN Document Server

    de Alwis, S P

    2007-01-01

    It is argued that classical string solutions should not be fine tuned to have a positive cosmological constant (CC) at the observed size, since even the quantum corrections from standard model effects will completely negate any classical string theory solution with such a CC. In fact it is even possible that there is no need at all for any ad hoc uplifting term in the potential since these quantum effects may well take care of this. Correspondingly any calculation of the parameters of the MSSM has to be rethought to take into account the evolution of the CC. This considerably complicates the issue since the initial conditions for RG evolution of these parameters are determined by the final condition on the CC! The Anthropic Principle is of no help in addressing these issues.

  4. Black holes and the positive cosmological constant

    CERN Document Server

    Bhattacharya, Sourav

    2013-01-01

    We address some aspects of black hole spacetimes endowed with a positive cosmological constant, i.e. black holes located inside a cosmological event horizon. First we establish a general criterion for existence of cosmological event horizons. Using the geometrical set up built for this, we study classical black hole no hair theorems for both static and stationary axisymmetric spacetimes. We discuss cosmic Nielsen-Olesen strings as hair in Schwarzschild-de Sitter spacetime. We also give a general calculation for particle creation by a Killing horizon using complex path analysis and using this we study particle creation in Schwarzschild-de Sitter spacetime by both black hole and the cosmological event horizons.

  5. Quantitative calculation of dislocation mobility

    Energy Technology Data Exchange (ETDEWEB)

    Swaminarayan, S.; Preston, D.L.

    1999-07-01

    The authors present a new method to calculate the response of dislocations to applied stress. This new method, called the dislocation treadmill, can be used to study the effect of vacancies, interstitials, stresses, strain rate, temperature, etc., on the steady state velocity of the dislocation. The authors demonstrate the use of the method by calculating the response of a dislocation to a constant applied shear stress.

  6. Signatures of nuclear liquid gas phase transition from transport model calculations for intermediate energy heavy ion collisions

    International Nuclear Information System (INIS)

    There is an enormous amount of experimental and theoretical work on liquid-gas phase transition in heavy ion collisions at intermediate energy. The standard methods of theoretical studies on nuclear liquid-gas phase transition assume that because of two body collisions nucleons equilibrate and then multifragmentation occurs either at constant volume (most prevalent assumption) or at constant pressure. But the acceptability of either of these assumptions is a debatable issue. This work focuses on whether results of transport model calculations at intermediate energy can point to signatures of phase transition as it bypasses all such assumptions

  7. MARTENSITIC TRANSFORMATION AND ELASTIC CONSTANTS

    OpenAIRE

    Suzuki, T

    1985-01-01

    The deformation energy barrier for the martensitic transformation is estimated from the data of the elastic constants. The deformation energy barrier for B.C.C → F.C.C martensitic transformation is, at most, of the order of the thermal energy at room temperature. The deformation energy barrier between B.C.C. and F.C.C can be surmounted by thermal energy at temperatures higher than Ms. The martensitic transformation is proposed to be understood as the freezing process of the non-linear lattice...

  8. 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

  9. Henry's law constants of polyols

    Directory of Open Access Journals (Sweden)

    S. Compernolle

    2014-05-01

    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. Depending on the case, infinite dilution activity coefficients (IDACs, solid state pressures or activity coefficient ratios are obtained as intermediary results. 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.

  10. EFFECTIVE ELASTIC CONSTANTS OF PLAGIOCLASE FELDSPAR AGGREGATES IN DEPENDENCE OF THE ANORTHITE CONTENT - A CONCISE REVIEW

    OpenAIRE

    Willi Pabst; Eva Gregorova; Rambaldi Elisa; Bignozzi Maria Chiara

    2015-01-01

    Recent work on the elastic constants of plagioclase feldspars is reviewed. Based on the 21 elastic constants (stiffnesses) reported in the literature for triclinic plagioclase monocrystals of different composition, the effective elastic constants of dense, single-phase, polycrystalline plagioclase aggregates with isotropic microstructure are calculated via standard VoigtReuss-Hill averaging. Master curves show the good agreement of the constants obtained via the two approaches (exper...

  11. First-Principles Calculations of Elastic Properties of LaNi5 Compound

    Institute of Scientific and Technical Information of China (English)

    CHEN Dong; XU Guo-Liang; ZHANG Xin-Wei; ZHAO Ying-Lu; YU Ben-Hai; SHI De-Heng

    2008-01-01

    @@ The equilibrium lattice constants, temperature dependence of bulk modulus, the pressure dependence of the normalized volume V/Vo, elastic constants Cij and bulk modulus of LaNi5 crystal are obtained using the first-principles plane-wave pseudopotential method in the GGA-PBE generalized gradient approximation as well as the quasi-harmonic Debye model. We analyse the relationship between bulk modulus and temperature up to 1000 K and obtain the relationship between bulk modulus B and pressure at different temperatures. It is found that the bulk modulus B increases monotonously with increasing pressure. Moreover, the pressure dependences of Debye temperatures and the pressure derivatives of lattice constants are also successfully obtained. The calculated results are in agreement with the experimental data and the other theoretical results.

  12. 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.

  13. Temperature and size-dependent Hamaker constants for metal nanoparticles

    Science.gov (United States)

    Jiang, K.; Pinchuk, P.

    2016-08-01

    Theoretical values of the Hamaker constant have been calculated for metal nanoparticles using Lifshitz theory. The theory describes the Hamaker constant in terms of the permittivity of the interacting bodies. Metal nanoparticles exhibit an internal size effect that alters the dielectric permittivity of the particle when its size falls below the mean free path of the conducting electrons. This size dependence of the permittivity leads to size-dependence of the Hamaker constant for metal nanoparticles. Additionally, the electron damping and the plasma frequency used to model the permittivity of the particle exhibit temperature-dependence, which lead to temperature dependence of the Hamaker constant. In this work, both the size and temperature dependence for gold, silver, copper, and aluminum nanoparticles is demonstrated. The results of this study might be of interest for studying the colloidal stability of nanoparticles in solution.

  14. Temperature and size-dependent Hamaker constants for metal nanoparticles.

    Science.gov (United States)

    Jiang, K; Pinchuk, P

    2016-08-26

    Theoretical values of the Hamaker constant have been calculated for metal nanoparticles using Lifshitz theory. The theory describes the Hamaker constant in terms of the permittivity of the interacting bodies. Metal nanoparticles exhibit an internal size effect that alters the dielectric permittivity of the particle when its size falls below the mean free path of the conducting electrons. This size dependence of the permittivity leads to size-dependence of the Hamaker constant for metal nanoparticles. Additionally, the electron damping and the plasma frequency used to model the permittivity of the particle exhibit temperature-dependence, which lead to temperature dependence of the Hamaker constant. In this work, both the size and temperature dependence for gold, silver, copper, and aluminum nanoparticles is demonstrated. The results of this study might be of interest for studying the colloidal stability of nanoparticles in solution. PMID:27454147

  15. Albedo and constant source problems for extremely anisotropic scattering

    International Nuclear Information System (INIS)

    The half-space albedo problem and the constant source problem have been solved for a combination of the linearly anisotropic scattering and Inoenue's scattering functions. The linear transport equation for extremely anisotropic scattering kernel can be converted into an equivalent equation with a linearly anisotropic scattering kernel and the modified FN method can be used for albedo calculations. (orig.)

  16. The fermion propagator in cosmological spaces with constant deceleration

    NARCIS (Netherlands)

    Koksma, J.F.; Prokopec, T.

    2009-01-01

    We calculate the fermion propagator in Friedmann–Lemaˆıtre–Robertson– Walker (FLRW) spacetimeswith constant deceleration q = −1, = −H˙ /H2 for excited states. For fermions whose mass is generated by a scalar field through a Yukawa coupling m = gYφ, we assume φ ∝α H. We first solve the mode functions

  17. QCD Phase Transitions and Bag Constants at Finite Chemical Potential

    Institute of Scientific and Technical Information of China (English)

    YANG Shu; GUO Hua; ZHAO En-Guang; L(U) Xiao-Fu

    2007-01-01

    The global colour model at finite temperature is further extended to study the systems at finite chemical potential. The deconfinement and chiral phase transition at finite chemical potential and at temperature T=0K are studied simultaneously. Meanwhile the evolution of the bag constants at finite chemical potential is calculated. The dependences of results on the model parameters are discussed in detail.

  18. String field theory solution corresponding to constant background magnetic field

    CERN Document Server

    Ishibashi, Nobuyuki; Takahashi, Tomohiko

    2016-01-01

    Following the method recently proposed by Erler and Maccaferri, we construct solutions to the equation of motion of Witten's cubic string field theory, which describe constant magnetic field background. We study the boundary condition changing operators relevant to such background and calculate the operator product expansions of them. We obtain solutions whose classical action coincide with the Born-Infeld action.

  19. Cosmological constant and curved 5D geometry

    CERN Document Server

    Ito, M

    2002-01-01

    We study the value of cosmological constant in de Sitter brane embedded in five dimensions with positive, vanishing and negative bulk cosmological constant. In the case of negative bulk cosmological constant, we show that not zero but tiny four-dimensional cosmological constant can be realized by tiny deviation from bulk curvature of the Randall-Sundrum model.

  20. The cosmological constant and the energy of gravitational radiation

    OpenAIRE

    Chruściel, Piotr T; Ifsits, Lukas

    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 o...

  1. 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 $\\Lambda=0$.

  2. The cosmological constant and the energy of gravitational radiation

    Science.gov (United States)

    Chruściel, Piotr T.; Ifsits, Lukas

    2016-06-01

    We propose a definition of mass for characteristic hypersurfaces in asymptotically vacuum space-times with nonvanishing cosmological constant Λ ∈R* , generalizing the definition of Trautman and Bondi for Λ =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 renormalized volume of the null hypersurface, generalizing the positivity identity proved by Chruściel and Paetz when Λ =0 .

  3. Analysis of interval constants in calendars affiliated with the Shoushili

    International Nuclear Information System (INIS)

    We study interval constants that are related to motions of the Sun and Moon, i.e., the Qi, Intercalation, Revolution and Crossing interval, in calendars affiliated with the Shoushi calendar (Shoushili), such as Datongli and Chiljeongsannaepyeon. It is known that these interval constants were newly introduced in the Shoushili calendar and revised afterward, except for the Qi interval constant, and the revised values were adopted in later calendars affiliated with the Shoushili. We first investigate the accuracy of these interval constants and then the accuracy of calendars affiliated with the Shoushili in terms of these constants by comparing times for the new moon and the maximum solar eclipse calculated by each calendar with modern methods of calculation. During our study, we found that the Qi and Intercalation interval constants used in the early Shoushili were well determined, whereas the Revolution and Crossing interval constants were relatively poorly measured. We also found that the interval constants used by the early Shoushili were better than those of the later one, and hence better than those of Datongli and Chiljeongsannaepyeon. On the other hand, we found that the early Shoushili is, in general, a worse calendar than Datongli for use in China but a better one than Chiljeongsannaepyeon for use in Korea in terms of times for the new moon and when a solar eclipse occurs, at least for the period 1281 – 1644. Finally, we verified that the times for sunrise and sunset in the Shoushili-Li-Cheng and Mingshi are those at Beijing and Nanjing, respectively

  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

    International Nuclear Information System (INIS)

    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 complex systems. In order to increase the applicability of the programs variance reduction techniques can be applied to speed up the calculation process. Variance reduction techniques have been studied and procedures for implementation of importance sampling are suggested. (author)

  6. Optical properties of fly ash. Volume 1, Final report

    Energy Technology Data Exchange (ETDEWEB)

    Self, S.A.

    1994-12-01

    Research performed under this contract was divided into four tasks under the following headings: Task 1, Characterization of fly ash; Task 2, Measurements of the optical constants of slags; Task 3, Calculations of the radiant properties of fly ash dispersions; and Task 4, Measurements of the radiant properties of fly ash dispersions. Tasks 1 and 4 constituted the Ph.D. research topic of Sarbajit Ghosal, while Tasks 2 and 3 constituted the Ph.D. research topic of Jon Ebert. Together their doctoral dissertations give a complete account of the work performed. This final report, issued in two volumes consists of an executive summary of the whole program followed by the dissertation of Ghosal. Volume 1 contains the dissertation of Ghosal which covers the characterization of fly ash and the measurements of the radiant properties of fly ash dispersions. A list of publications and conference presentations resulting from the work is also included.

  7. Determination of Optical Constants of Polystyrene Films from IR Reflection-Absorption Spectra

    Directory of Open Access Journals (Sweden)

    Simion Jitian

    2010-09-01

    Full Text Available Determination of The transmittance values measured in IR reflectionabsorption (RA spectra were used to determine the optical constants of dielectric films laid on solid substrates. In order to obtain the optical constants of polystyrene films laid on steel we used dispersion analysis. In this case, the optical constants are obtained from IR spectrum recorded at a single incidence angle. The use of dispersion analysis offers the advantage of processing a large volume of data.

  8. 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

  9. 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...... the major rating agencies, based on complex models for the joint transition of ratings and spreads for all names in the underlying portfolio. We propose a parsimonious model for analysing the performance of CPDO strategies using a top-down approach that captures the essential risk factors of the CPDO. Our...... approach allows us to compute default probabilities, loss distributions and other tail risk measures for the CPDO strategy and analyse the dependence of these risk measures on various parameters describing the risk factors. We find that the probability of the CPDO defaulting on its coupon payments can...

  10. 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.

  11. Coupling constant in dispersive model

    Indian Academy of Sciences (India)

    R Saleh-Moghaddam; M E Zomorrodian

    2013-11-01

    The average of the moments for event shapes in + - → hadrons within the context of next-to-leading order (NLO) perturbative QCD prediction in dispersive model is studied. Moments used in this article are $\\langle 1 - T \\rangle, \\langle ρ \\rangle, \\langle B_{T} \\rangle$ and $\\langle B_{W} \\rangle$. We extract , the coupling constant in perturbative theory and α0 in the non-perturbative theory using the dispersive model. By fitting the experimental data, the values of $(M_{Z^{°}})$ = 0.1171 ± 0.00229 and 0 ($_{I} = 2{\\text{GeV}}$) = 0.5068 ± 0.0440 are found. Our results are consistent with the above model. Our results are also consistent with those obtained from other experiments at different energies. All these features are explained in this paper.

  12. Correlations for calculating the surface tension and enthalpies of sublimation of alkali halides

    International Nuclear Information System (INIS)

    The capability of a new model on predicting the surface tension of molten alkali halides is described. A relationship, with a simple form of calculation, exists between the surface tension (γ) at the melting point, molar volume (V), inter-nuclear distance (D) and the enthalpy of sublimation (Es). The basic idea results from the assumption that all the parameters are constants that are usually easy to acquire. Moreover, two previous models (Furth and Schytil equations) were also checked and applied for calculating surface tension of molten salts. The three formulas have been examined for 20 salts and showed remarkable agreement between calculated and experimental data with a difference of less than 10% for most of the salts studied. The heats of sublimation of alkali halides were, theoretically, calculated and compared to literature values.

  13. 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.

  14. Volumes of chain links

    CERN Document Server

    Kaiser, James; Rollins, Clint

    2011-01-01

    Agol has conjectured that minimally twisted n-chain links are the smallest volume hyperbolic manifolds with n cusps, for n at most 10. In his thesis, Venzke mentions that these cannot be smallest volume for n at least 11, but does not provide a proof. In this paper, we give a proof of Venzke's statement. The proof for n at least 60 is completely rigorous. The proof for n between 11 and 59 uses a computer calculation, and can be made rigorous for manifolds of small enough complexity, using methods of Moser and Milley. Finally, we prove that the n-chain link with 2m or 2m+1 half-twists cannot be the minimal volume hyperbolic manifold with n cusps, provided n is at least 60 or |m| is at least 8, and we give computational data indicating this remains true for smaller n and |m|.

  15. 基于C#编译研究温度对水处理出水量影响计算软件的开发%Development of a Program for Calculation of the Inlfuence of Temperature on Water Treatment Discharge Volume Based on C#

    Institute of Scientific and Technical Information of China (English)

    王历历

    2015-01-01

    This study focused on development of a program for calculation of the impact of temperature on water treatment discharge volume. Through collection and record of data, the statistical regression method was utilized to obtain the correlation function curve between the reverse-osmosis membrane temperature and water discharge volume of the water treatment system. Then, the program was compiled for calculation of the water treatment discharge volume under different temperature by using C# advanced programming language. The program could provide the necessary basis for the hospital to procure water treatment equipment and evaluate the replacement time of reverse-osmosis membrane.%本研究设计一个程序软件,用于计算血液透析中温度对水处理出水量的影响。通过数据采集与记录,使用统计回归方法得出水处理系统反渗透膜温度与出水量的几种函数关系曲线,利用C#高级程序编译语言,编写不同温度下水处理出水量的计算程序软件。该软件为医院采购水处理设备与评估反渗膜的更换时间提供必要的数据支持。

  16. 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

  17. Development of thermodynamic databases for geochemical calculations

    International Nuclear Information System (INIS)

    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

  18. Vascular refilling is independent of volume overload in hemodialysis with moderate ultrafiltration requirements.

    Science.gov (United States)

    Kron, Susanne; Schneditz, Daniel; Leimbach, Til; Aign, Sabine; Kron, Joachim

    2016-07-01

    Introduction Blood volume changes and vascular refilling during hemodialysis (HD) and ultrafiltration (UF) have been assumed to depend on volume overload (Vo ). It was the aim to study the magnitude of vascular refilling in stable HD patients with moderate volume expansion in everyday dialysis using novel technical approaches. Methods Patients were studied during routine dialysis and UF based on clinical dry weight assessment. Pre-dialysis Vo was independently measured by bioimpedance spectroscopy. Vascular refilling volume (Vref ) was calculated as: Vref  = Vuf  - ΔV, where ΔV is the absolute blood volume change determined by on-line dialysate dilution using a commercial on-line hemodiafiltration machine incorporating a relative blood volume monitor, and where Vuf is the prescribed UF volume. Findings Thirty patients (dry weight: 81.0 ± 17.8 kg) were studied. Pre-dialysis Vo was 2.46 ± 1.45 L. Vuf was 2.27 ± 0.71 L, specific UF rate was 6.45 ± 2.43 mL/kg/h, and since ΔV was 0.66 ± 0.31 L, Vref was determined as 1.61 ± 0.58 L, corresponding to a constant refilling fraction (Fref ) of 70.6 ± 10.6%. Vref strongly correlated with Vuf (r(2)  = 0.82) but was independent of Vo and other volumes. Fref was also independent of Vo and other volumes normalized for various measures of body size. Discussion While vascular refilling and Fref is independent of Vo in treatments with moderate UF requirements, intravascular volume depletion increases with increasing UF requirements. The relationship between blood volume and Vo needs to be more closely examined in further studies to optimize volume control in everyday dialysis.

  19. Vascular refilling is independent of volume overload in hemodialysis with moderate ultrafiltration requirements.

    Science.gov (United States)

    Kron, Susanne; Schneditz, Daniel; Leimbach, Til; Aign, Sabine; Kron, Joachim

    2016-07-01

    Introduction Blood volume changes and vascular refilling during hemodialysis (HD) and ultrafiltration (UF) have been assumed to depend on volume overload (Vo ). It was the aim to study the magnitude of vascular refilling in stable HD patients with moderate volume expansion in everyday dialysis using novel technical approaches. Methods Patients were studied during routine dialysis and UF based on clinical dry weight assessment. Pre-dialysis Vo was independently measured by bioimpedance spectroscopy. Vascular refilling volume (Vref ) was calculated as: Vref  = Vuf  - ΔV, where ΔV is the absolute blood volume change determined by on-line dialysate dilution using a commercial on-line hemodiafiltration machine incorporating a relative blood volume monitor, and where Vuf is the prescribed UF volume. Findings Thirty patients (dry weight: 81.0 ± 17.8 kg) were studied. Pre-dialysis Vo was 2.46 ± 1.45 L. Vuf was 2.27 ± 0.71 L, specific UF rate was 6.45 ± 2.43 mL/kg/h, and since ΔV was 0.66 ± 0.31 L, Vref was determined as 1.61 ± 0.58 L, corresponding to a constant refilling fraction (Fref ) of 70.6 ± 10.6%. Vref strongly correlated with Vuf (r(2)  = 0.82) but was independent of Vo and other volumes. Fref was also independent of Vo and other volumes normalized for various measures of body size. Discussion While vascular refilling and Fref is independent of Vo in treatments with moderate UF requirements, intravascular volume depletion increases with increasing UF requirements. The relationship between blood volume and Vo needs to be more closely examined in further studies to optimize volume control in everyday dialysis. PMID:27061224

  20. Determination of Henry's law constants for low volatile mixed halogenated anisoles using solid-phase microextraction

    International Nuclear Information System (INIS)

    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 (KH) 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 KH of a wide range of trihalogenated anisoles - in its dimensionless form K'H - were calculated at two temperatures, 45 and 22deg. 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 (r2) 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)

  1. 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.

  2. A Variant of Davenport's Constant

    Indian Academy of Sciences (India)

    R Thangadurai

    2007-05-01

    Let be a prime number. Let be a finite abelian -group of exponent (written additively) and be a non-empty subset of $]n[:=\\{1,2,\\ldots,n\\}$ such that elements of are incongruent modulo and non-zero modulo . Let $k ≥ D(G)/|A|$ be any integer where () denotes the well-known Davenport’s constant. In this article, we prove that for any sequence $g_1,g_2,\\ldots,g_k$ (not necessarily distinct) in , one can always extract a subsequence $g_{i_1},g_{i_2},\\ldots,g_{i_l}$ with $1 ≤ l ≤ k$ such that $$\\sum\\limits_{j=1}^l a_j g_{i_j}=0 \\text{in} G,$$ where $a_j\\in A$ for all . We provide examples where this bound cannot be improved. Furthermore, for the cyclic groups, we prove some sharp results in this direction. In the last section, we explore the relation between this problem and a similar problem with prescribed length. The proof of Theorem 1 uses group-algebra techniques, while for the other theorems, we use elementary number theory techniques.

  3. Observable Effects of Scalar Fields and Varying Constants

    CERN Document Server

    Barrow, J D; Barrow, John D.; Shaw, Douglas J.

    2006-01-01

    We show by using the method of matched asymptotic expansions that a sufficient condition can be derived which determines when a local experiment will detect the cosmological variation of a scalar field which is driving the spacetime variation of a supposed constant of Nature. We extend our earlier analyses of this problem by including the possibility that the local region is undergoing collapse inside a virialised structure, like a galaxy or galaxy cluster. We show by direct calculation that the sufficient condition is met to high precision in our own local region and we can therefore legitimately use local observations to place constraints upon the variation of "constants" of Nature on cosmological scales.

  4. A note on Yamabe constants of products with hyperbolic spaces

    OpenAIRE

    Henry, Guillermo; Petean, Jimmy

    2013-01-01

    We study the H^n-Yamabe constants of Riemannian products (H^n \\times M^m, g_h^n +g), where (M,g) is a compact Riemannian manifold of constant scalar curvature and g_h^n is the hyperbolic metric on H^n. Numerical calculations can be carried out due to the uniqueness of (positive, finite energy) solutions of the equation \\Delta u -\\lambda u + u^q =0 on hyperbolic space H^n under appropriate bounds on the parameters \\lambda, q, as shown by G. Mancini and K. Sandeep. We do explicit numerical esti...

  5. Vacuum energy and the cosmological constant

    CERN Document Server

    Bass, Steven D

    2015-01-01

    The accelerating expansion of the Universe points to a small positive value for the cosmological constant or vacuum energy density. We discuss recent ideas that the cosmological constant plus LHC results might hint at critical phenomena near the Planck scale.

  6. Temporal variation of coupling constants and nucleosynthesis

    CERN Document Server

    Oberhummer, Heinz; Fairbairn, M; Schlattl, H; Sharma, M M

    2003-01-01

    We investigate the triple-alpha process and the Oklo phenomenon to obtain constraints on possible cosmological time variations of fundamental constants. Specifically we study cosmological temporal constraints for the fine structure constant and nucleon and meson masses.

  7. Temporal variation of coupling constants and nucleosynthesis

    Science.gov (United States)

    Oberhummer, H.; Csótó, A.; Fairbairn, M.; Schlattl, H.; Sharma, M. M.

    2003-05-01

    We investigate the triple-alpha process and the Oklo phenomenon to obtain constraints on possible cosmological time variations of fundamental constants. Specifically we study cosmological temporal constraints for the fine structure constant and nucleon and meson masses.

  8. Surfaces of a Constant Negative Curvature

    Directory of Open Access Journals (Sweden)

    G. M. Gharib

    2012-01-01

    Full Text Available I study the geometric notion of a differential system describing surfaces of a constant negative curvature and describe a family of pseudospherical surfaces for the nonlinear partial differential equations with constant Gaussian curvature .

  9. SURFACE VOLUME ESTIMATES FOR INFILTRATION PARAMETER ESTIMATION

    Science.gov (United States)

    Volume balance calculations used in surface irrigation engineering analysis require estimates of surface storage. These calculations are often performed by estimating upstream depth with a normal depth formula. That assumption can result in significant volume estimation errors when upstream flow d...

  10. Constant global population with demographic heterogeneity

    OpenAIRE

    Cohen, Joel E.

    2008-01-01

    To understand better a possible future constant global population that is demographically heterogeneous, this paper analyzes several models. Classical theory of stationary populations generally fails to apply. However, if constant global population size P(global) is the sum of all country population sizes, and if constant global annual number of births B(global) is the sum of the annual number of births of all countries, and if constant global life expectancy at birth e(global) is the populat...

  11. Origin of cosmological constant from Bulk manifold

    International Nuclear Information System (INIS)

    The problem about cosmological constant is a difficult and important problem, people even don't know what it is really originated from. In this letter, the authors show up a kind of origin of the cosmological constant from the viewpoint of some extra dimensional spaces, obtain different values of the cosmological constant under different circumstances, acquire the evolution function with time t. And we achieve a cosmological constant that may be fitted with modern astronomic observation. (authors)

  12. Finite Volume for Three-Flavour Partially Quenched Chiral Perturbation Theory through NNLO in the Meson Sector

    CERN Document Server

    Bijnens, Johan

    2015-01-01

    We present a calculation of the finite volume corrections to meson masses and decay constants in three flavour Partially Quenched Chiral Perturbation Theory (PQChPT) through two-loop order in the chiral expansion for the flavour-charged (or off-diagonal) pseudoscalar mesons. The analytical results are obtained for three sea quark flavours with one, two or three different masses. We reproduce the known infinite volume results and the finite volume results in the unquenched case. The calculation has been performed using the supersymmetric formulation of PQChPT as well as with a quark-flow technique. Partial analytical results can be found in the appendices. Some examples of cases relevant to lattice QCD are studied numerically. Numerical programs for all results are available as part of the CHIRON package.

  13. TARGET DETECTION USING MULTI-RESOLUTION ANALYSIS AND HOLDER CONSTANT

    Institute of Scientific and Technical Information of China (English)

    Liu Wenyu; Li Hua; Zhu Guangxi

    2001-01-01

    Through analyzing the different height parameter of 3D surface between the artificial target and complex background based on the description of average Holder constant of fractional Brownian motion, a novel method of target detection based on wavelet transformation and Holder constant is proposed. The wavelet Holder constants are calculated and linearly interpolated in a series of images, the target is detected by testing the linearity errof The more accurate localization can be achieved using two images of the same region but with difIerent scaling parameters.The application results of this algorithm for target detection are also given, and show that this method has good performance of noise immunity. This method is also suitable for identifying specific targets in complex background.

  14. Local Experiments See Cosmologically Varying Constants

    CERN Document Server

    Shaw, D J; Barrow, John D.; Shaw, Douglas J.

    2006-01-01

    We describe a rigorous construction, using matched asymptotic expansions, which establishes under very general conditions that local terrestrial and solar-system experiments will measure the effects of varying `constants' of Nature occurring on cosmological scales to computable precision. In particular, `constants' driven by scalar fields will still be found to evolve in time when observed within virialised structures like clusters, galaxies, and planetary systems. This provides a justification for combining cosmological and terrestrial constraints on the possible time variation of many assumed `constants' of Nature, including the fine structure constant and Newton's gravitation constant.

  15. Curl force dynamics: symmetries, chaos and constants of motion

    Science.gov (United States)

    Berry, M. V.; Shukla, Pragya

    2016-06-01

    This is a theoretical study of Newtonian trajectories governed by curl forces, i.e. position-dependent but not derivable from a potential, investigating in particular the possible existence of conserved quantities. Although nonconservative and nonhamiltonian, curl forces are not dissipative because volume in the position–velocity state space is preserved. A physical example is the effective forces exerted on small particles by light. When the force has rotational symmetry, for example when generated by an isolated optical vortex, particles spiral outwards and escape, even with an attractive gradient force, however strong. Without rotational symmetry, and for dynamics in the plane, the state space is four-dimensional, and to search for possible constants of motion we introduce the Volume of section: a numerical procedure, in which orbits are plotted as dots in a three-dimensional subspace. For some curl forces, e.g. optical fields with two opposite-strength vortices, the dots lie on a surface, indicating a hidden constant of motion. For other curl forces, e.g. those from four vortices, the dots explore clouds, in an unfamiliar kind of chaos, suggesting that no constant of motion exists. The curl force dynamics generated by optical vortices could be studied experimentally.

  16. Elastic stiffness constants of lead chlorophosphate glasses

    International Nuclear Information System (INIS)

    This paper describes the preparation of a series of binary (PbO)x(P2O5)1-x lead phosphate and ternary (PbCl2)y (PbO.2P2O5)1-5 lead chlorophosphate glasses by the melt quenching technique. Their physical as well as elastic properties have been determined at room temperature by using the ultrasonic pulse echo overlap method. The density of both series of glasses increases linearly with the mole fraction of PbO and PbCl2 respectively. The experimental results show that the elastic constants C11 and C44 of the binary lead phosphate glasses decrease linearly with the mole fraction of PbO; the addition of PbO weakens the structure of phosphate glasses due to an increase of non-bridging oxygen. An introduction of PbCl2 into the lead phosphate glassy matrix also causes the decrease of elastic modulli C11, C44 and bulk modulus; the chloride ions breaking up the bridging oxygen into non-bridging oxygen. The Debye temperatures of both series of glasses have been calculated by using the room temperature ultrasonic velocities data

  17. Dielectric constant of NiO and LDA+U

    Science.gov (United States)

    Ye, Lin-Hui; Luo, Ning; Peng, Lian-Mao; Weinert, M.; Freeman, A. J.

    2013-02-01

    The local density approximation (LDA) and generalized gradient approximations (GGA) of density functional theory systematically overestimate the electronic polarizability of materials. We calculate the dielectric constant of NiO by the direct method and find, contrary to previous suggestions, that the LDA+U method reduces the polarization such that ɛ∞ decreases monotonically with increasing U. We illustrate the existence of a linear term in the effective exchange-correlation potential that counteracts the external electric field, thus demonstrating that the decrease of ɛ∞ is intrinsic to the LDA+U correction. The reduction of the polarization is due mostly to reduced orbital mixing between the unoccupied eg states and the occupied 2p states. Our work establishes LDA+U as a viable method for calculating the dielectric constants of correlated materials.

  18. Determination of the dissociation constants of polyepoxysuccinic acid

    Institute of Scientific and Technical Information of China (English)

    Lihua ZHANG; Zhiliang ZHU; Yanling QIU; Ronghua ZHANG; Jianfu ZHAO

    2008-01-01

    The dissociation constants of polyepoxysucci-nic acid (PESA) were investigated in this study. Based on the potentiometric titration and the BEST program, the dissociation constants of PESA were determined. Considering the complexity of the dissociation of PESA in aqueous solution, several models were constructed to simulate the dissociation process of PESA. By compar-ison, the dissociation constants of PESA were obtained with model 4. The species distribution of PESA in aque-ous solution as a function of pH was also presented according to the experimental and calculation results. It showed that the H2L model with five basic structure units to describe the dissociation of PESA was reasonable, and the relevant constants had less error and better matching between the experimental and calculation data. The cor-responding values of pKai were 4.68 and 4.92, respectively, for H2L at 35℃ with ionic strength of 0.1 mol/L.

  19. Calculating "g" from Acoustic Doppler Data

    Science.gov (United States)

    Torres, Sebastian; Gonzalez-Espada, Wilson J.

    2006-01-01

    Traditionally, the Doppler effect for sound is introduced in high school and college physics courses. Students calculate the perceived frequency for several scenarios relating a stationary or moving observer and a stationary or moving sound source. These calculations assume a constant velocity of the observer and/or source. Although seldom…

  20. Theoretical Calculations for Structural, Elastic and Thermodynamic Properties of MgB2 under High Pressure

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    We have investigated the structural and elastic properties of MgB2 under high pressures using the fullpotential linearized muffin-tin orbital (FP-LMTO) scheme within the generalized gradient approximation correction (GGA) in the frame of density functional theory. The calculated pressure dependence of the normalized volume is in excellent agreement with the experimental results. At the same time the elastic constants and acoustic anisotropy as a function of applied pressure are presented. Through the quasi-harmonic Debye model, we also investigate the thermodynamic properties of MgB2.